0 B6R0.3 C=C(CBr)C(=O)O 74879 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 C=C(I)[C@@H](C)CI 27069 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.3 C=C[C@H](C)C(=O)O T72590 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.3 C=C[C@H](N)C(=O)O 33352 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.3 C=C[C@H](N)C(=O)O 39549 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.3 CC(C)[C@@H](C)CO D93394 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 CCN(C)C(C)=O F19909 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 CC[C@H](C)C(=O)O 88659 [0,0,0,0,0,0|0,0,0]=0 8 B6R0.3 CC[C@H](N)C(N)=O I10243 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.3 C[C@@H](CN)C(=O)O F15101 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.3 C[C@@H](CN)C(=O)O F15242 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.3 C[C@H](C#N)C(=O)O C75969 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.3 C[C@H](ON)C(=O)O AT14512 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.3 C[C@H](ON)C(=O)O Y13476 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.3 C\C=C(\C)B(O)O A50050 [0,0,0,0,0,0|1,0,3]=4 17 B6R0.3 N#C[C@@H](Br)C(N)=O A11896 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.3 NC(=O)[C@@H](N)CO D75098 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.3 NC[C@H](F)C(=O)O T73016 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.3 NC[C@H](O)C(=O)O O10173 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.3 N[C@@H](CCl)C(=O)O FD21124 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.3 O=C(O)[C@@H](Br)CO A10085 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.3 O=C(O)[C@@H](Br)CO AB19244 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.3 O=C(O)[C@@H](O)CCl 84142 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.1 CCC[C@H](C)N P14575 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 CCC[C@H](C)N Y10887 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CCOC(N)=S A11227 [1,0,0,0,0,0|2,1,0]=4 28 B5R0.1 CNCC(=O)[O-] F20742 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.1 CNC[C@H](C)O AC1157 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CNC[C@H](C)O N12528 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 C[C@H](O)CCN 83616 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 N#CCC(=O)[O-] D70707 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.1 O=C(O)\C=C\Br AC1121 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.1 O=C(O)\C=C\I W15430 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.3 C=C[C@@H](N)CO 52208 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.3 C=C[C@@H](N)CO 52209 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.3 C=C[C@@H](N)CO 52211 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.3 C=C[C@@H](O)CO 56500 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.3 C=C[C@H](C)ON F31247 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.3 CC[C@H](C)CN 88665 [1,0,0,0,0,0|1,0,1]=3 41 B5R0.3 CC[C@H](N)C#N 98383 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.3 CN[C@@H](C)CO AC8719 [1,0,0,0,0,0|1,0,1]=3 43 B5R0.3 CN[C@@H](C)CO C77593 [1,0,0,0,0,0|1,0,1]=3 44 B5R0.3 CN[C@@H](C)CO D80042 [1,0,0,0,0,0|1,0,1]=3 45 B5R0.3 CN[C@@H](C)CO D80344 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.3 CN[C@@H](C)CO D82586 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.3 CO[C@@H](C)CN 91001 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.3 CO[C@@H](C)CO 91002 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.3 C[C@@H](CN)CCl 72948 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.3 C[C@@H](CO)CBr AB3182 [1,0,0,0,0,0|1,0,1]=3 51 B5R0.3 NC[C@H](F)CO 94841 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.3 NC[C@H](F)CO 94845 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.3 NC[C@H](F)CO 94846 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.3 OC[C@H](O)CF 65949 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.3 OC[C@H](O)CF F14582 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.5 CC(=O)[C@H](C)N D76571 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.5 CC(=S)N(C)C 76921 [1,0,0,0,0,0|2,1,0]=4 58 B5R0.5 CN(C)C(=N)N 71417 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.5 C[C@H](N)C(N)=O 25148 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.5 C[C@H](O)C(=N)N 71516 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.5 C[C@H](O)[C@H](C)O C91323 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.5 C#CC[C@H](N)C(=O)O C73254 [0,1,0,0,0,0|1,0,1]=3 63 B7R0.5 C#CC[C@H](N)C(=O)O F12349 [0,1,0,0,0,0|1,0,1]=3 64 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [0,1,0,0,0,0|1,0,1]=3 65 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.5 CCC[C@H](O)C(=O)O 77792 [0,1,0,0,0,0|1,0,0]=2 67 B7R0.5 CNC[C@H](N)C(=O)O N10392 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.5 COC[C@H](Br)C(=O)O C76037 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.5 C[C@H](NC=O)C(=O)O FD21046 [0,1,0,0,0,0|1,0,1]=3 71 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.5 NCC[C@H](F)C(=O)O D71941 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [0,1,0,0,0,0|1,0,0]=2 74 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.10 C=C(CCl)C(=O)OC 36746 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.10 C=CC(=O)N(C)OC AT20366 [0,1,0,0,0,0|3,0,0]=4 78 B7R0.10 CCC(C)[C@H](N)C#N AR2444 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [0,1,0,0,0,0|1,0,1]=3 80 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.10 CC[C@H](O)C(=O)OC 98375 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [0,1,0,0,0,0|1,0,0]=2 83 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [0,1,0,0,0,0|1,0,0]=2 85 B7R0.10 COC(=O)[C@@H](Cl)CCl D77820 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.10 COC(=O)[C@@H](N)CCl FD3044 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [0,1,0,0,0,0|2,0,0]=3 88 B7R0.10 COC(=O)[C@@H](O)CN D97235 [0,1,0,0,0,0|2,0,0]=3 89 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.13 C=CC(C)(C)C(=O)O F12167 [0,1,0,0,0,0|0,0,2]=3 91 B7R0.13 CC(=O)C(C)(C)C#N Y10746 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.13 CC(=O)C(C)(C)CO Y13534 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.13 CC(C)(C#N)C(=O)O 30621 [0,1,0,0,0,0|1,0,1]=3 94 B7R0.13 CC(C)(C#N)C(N)=O L10085 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.13 CC(C)(CN)C(=O)O D76726 [0,1,0,0,0,0|1,0,0]=2 96 B7R0.13 CCC(C)(C)[S@@](N)=O 97000 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.13 CCC(C)(C)[S@@](N)=O 97001 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.13 CC[C@](C)(N)C(=O)O 63927 [0,1,0,0,0,0|0,0,0]=1 99 B7R0.13 CC[C@](C)(N)C(=O)O F12073 [0,1,0,0,0,0|0,0,0]=1 100 B7R0.13 CC[C@](C)(O)C(=O)O D78565 [0,1,0,0,0,0|0,0,0]=1 101 B7R0.13 COC(C)(C)C(N)=O Y13489 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.13 C[C@](Cl)(CCl)C(=O)O W18728 [0,1,0,0,0,0|1,0,0]=2 103 B7R0.13 C[C@](N)(CO)C(=O)O 64334 [0,1,0,0,0,0|1,0,0]=2 104 B7R0.13 NCC(F)(F)C(=O)O 51202 [0,1,0,0,0,0|2,0,0]=3 105 B7R0.15 CCN(CC)C(=O)Cl F20301 [0,1,0,0,0,0|2,0,0]=3 106 B7R0.15 CC[C@@H](CO)C(C)C C74656 [0,1,0,0,0,0|2,0,1]=4 107 B7R0.15 CC[C@H](NC)C(=O)O W18322 [0,1,0,0,0,0|0,0,0]=1 108 B7R0.15 CC[C@H](OC)C(=O)O AC6372 [0,1,0,0,0,0|0,0,0]=1 109 B7R0.15 CN[C@@H](CO)C(=O)O F11106 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.16 CC(=O)C(N)C(C)=O F17513 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [0,1,0,0,0,0|0,0,0]=1 112 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [0,1,0,0,0,0|0,0,0]=1 113 B7R0.16 CC(C)[C@H](N)C(N)=O AC1523 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [0,1,0,0,0,0|1,0,0]=2 115 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [0,1,0,0,0,0|1,0,0]=2 116 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T70290 [0,1,0,0,0,0|1,0,0]=2 117 B7R0.16 O=C(O)C(F)C(=O)O A51197 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.16 O=C(O)C(O)C(=O)O H10518 [0,1,0,0,0,0|2,0,1]=4 119 B7R1.4 CC1=CCOC1=O T72100 [0,0,0,1,0,0|0,0,2]=3 120 B7R1.4 CN1CCN=C1N W16176 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.4 CN1CCNC1=O 81682 [0,0,0,1,0,0|2,0,0]=3 122 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,0,0,1,0,0|1,0,1]=3 124 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,0,0,1,0,0|2,0,1]=4 125 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,0,0,1,0,0|1,0,1]=3 126 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.4 NN1CCOC1=O S10190 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.4 N[C@H]1CCNC1=O 51276 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.4 N[C@H]1CCNC1=O 51277 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.4 N[C@H]1CCNC1=O 51278 [0,0,0,1,0,0|2,0,0]=3 134 B7R1.4 N[C@H]1CCNC1=O F14678 [0,0,0,1,0,0|2,0,0]=3 135 B7R1.4 N[C@H]1CCSC1=O O10218 [0,0,0,1,0,0|1,1,0]=3 136 B7R1.4 N[C@H]1CONC1=O FD3007 [0,0,0,1,0,0|3,0,0]=4 137 B7R1.4 O=C1NCC[C@@H]1Br 78555 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,0,0,1,0,0|1,0,0]=2 139 B7R1.4 O[C@H]1CCC=C1Br D79898 [0,0,0,1,0,0|3,0,0]=4 140 B7R1.8 CO[C@H]1CCC1=O P17941 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [0,0,0,1,0,0|0,0,0]=1 143 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [0,0,0,1,0,0|0,0,0]=1 144 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3201 [0,0,0,1,0,0|1,0,0]=2 145 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P15680 [0,0,0,1,0,0|1,0,0]=2 146 B7R1.18 CC(=O)C1COC1 79962 [0,0,0,1,0,0|2,0,0]=3 147 B7R1.18 C[C@H](N)C1CCC1 93060 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.18 C[C@H](N)C1CCC1 93062 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.18 C[C@H](O)C1COC1 P18451 [0,0,0,1,0,0|2,0,1]=4 150 B7R1.18 NC(=O)C1CCC1 20365 [0,0,0,1,0,0|1,0,0]=2 151 B7R1.18 NC(=O)[C@@H]1CCN1 20741 [0,0,0,1,0,0|2,0,0]=3 152 B7R1.18 NC(=O)[C@@H]1CCN1 21273 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.18 O=C(O)C1=CCC1 P16818 [0,0,0,1,0,0|0,0,2]=3 154 B7R1.18 O=C(O)C1COC1 81314 [0,0,0,1,0,0|1,0,0]=2 155 B7R1.18 O=C(O)C1CSC1 P12604 [0,0,0,1,0,0|1,0,0]=2 156 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [0,0,0,1,0,0|1,0,0]=2 157 B7R1.18 O=[N+]([O-])C1CCC1 30647 [0,0,0,1,0,0|1,0,1]=3 158 B7R1.19 CC(=O)C1(Cl)CC1 D86180 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.19 NC(=O)C1(Br)CC1 D85812 [0,0,0,1,0,0|2,0,0]=3 160 B7R1.19 NC(=O)C1(N)CC1 72646 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.19 NC(=O)C1(N)CC1 P15295 [0,0,0,1,0,0|2,0,0]=3 162 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,0,0,0,0,1|0,0,0]=1 163 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,0,0,0,0,1|1,0,0]=2 164 B7R0.2 CC[C@H](N)CC(=O)O 51922 [0,0,0,0,0,1|1,0,0]=2 165 B7R0.2 CC[C@H](N)CC(=O)O 52000 [0,0,0,0,0,1|1,0,0]=2 166 B7R0.2 CC[C@H](O)CC(=O)O C14017 [0,0,0,0,0,1|1,0,0]=2 167 B7R0.2 COC(C)CC(C)O 78061 [0,0,0,0,0,1|2,0,1]=4 168 B7R0.2 CO\C(C)=C/C(C)=O D93418 [0,0,0,0,0,1|2,0,1]=4 169 B7R0.2 N[C@H](CO)CC(=O)O D95019 [0,0,0,0,0,1|2,0,0]=3 170 B7R0.2 N[C@H](CO)CC(=O)O F14029 [0,0,0,0,0,1|2,0,0]=3 171 B4R0.1 C=C[C@H](C)N 81150 [2,0,0,0,0,0|2,0,0]=4 172 B4R0.1 C=C[C@H](C)N C77628 [2,0,0,0,0,0|2,0,0]=4 173 B4R0.1 C=C[C@H](C)N N11410 [2,0,0,0,0,0|2,0,0]=4 174 B4R0.1 CC(C)CBr P19652 [2,0,0,0,0,0|1,0,1]=4 175 B4R0.1 CC[C@H](C)N 74047 [2,0,0,0,0,0|1,0,0]=3 176 B4R0.1 C[C@H](Br)CN F11189 [2,0,0,0,0,0|2,0,0]=4 177 B4R0.1 C[C@H](Br)CO W17591 [2,0,0,0,0,0|1,0,1]=4 178 B4R0.1 C[C@H](Cl)CN Y14715 [2,0,0,0,0,0|2,0,0]=4 179 B4R0.1 C[C@H](N)CF AC1136 [2,0,0,0,0,0|2,0,0]=4 180 B4R0.1 C[C@H](N)CF AC6177 [2,0,0,0,0,0|2,0,0]=4 181 B4R0.1 NCC(=O)O A10882 [2,0,0,0,0,0|1,0,0]=3 182 B4R0.1 NCC(=O)O T72551 [2,0,0,0,0,0|1,0,0]=3 183 B4R0.1 O=C([O-])C[O-] 47204 [2,0,0,0,0,0|1,0,1]=4 184 B4R0.2 CCCCN T70838 [2,0,0,0,0,0|1,0,1]=4 185 B4R0.2 OCCCO D77845 [2,0,0,0,0,0|1,0,1]=4 186 B4R0.2 OCCCS D78398 [2,0,0,0,0,0|1,0,1]=4 187 B6R0.1 CCC[C@H](N)CO C13482 [1,1,0,0,0,0|1,0,1]=4 188 B6R0.1 CCNC(=O)CO 79517 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.1 CNC(=O)CCN C75423 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.1 CNC(=O)CCO AC6610 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.1 CNC(=O)CCS A11187 [1,1,0,0,0,0|2,0,0]=4 192 B6R0.1 COC(=O)OCCl R10013 [1,1,0,0,0,0|2,0,0]=4 193 B6R0.1 NNC(=O)CCO C77491 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.2 CC(=O)CC(=O)[O-] T70807 [1,1,0,0,0,0|0,0,2]=4 195 B6R0.2 CC(C)CC(N)=O C75541 [1,1,0,0,0,0|1,0,0]=3 196 B6R0.2 CC(C)NC(N)=O 44261 [1,1,0,0,0,0|2,0,0]=4 197 B6R0.2 C[C@H](O)CC(=O)O C10552 [1,1,0,0,0,0|0,0,0]=2 198 B6R0.2 NC(=O)CC(=O)O F20599 [1,1,0,0,0,0|1,0,1]=4 199 B6R0.4 C=C(C)CCCBr 71968 [1,1,0,0,0,0|2,0,0]=4 200 B6R0.4 C=CCCC(=O)Cl F16765 [1,1,0,0,0,0|1,0,1]=4 201 B6R0.4 CC(=O)CCC=O P17049 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.4 CC(=O)CCCBr 25631 [1,1,0,0,0,0|1,0,0]=3 203 B6R0.4 CC(=O)OCCN W11955 [1,1,0,0,0,0|2,0,0]=4 204 B6R0.4 CCOCC(=O)O D73862 [1,1,0,0,0,0|0,0,0]=2 205 B6R0.4 COC=CC(=O)O D97266 [1,1,0,0,0,0|0,0,2]=4 206 B6R0.4 NC(=O)OCCO A11395 [1,1,0,0,0,0|2,0,0]=4 207 B6R0.4 NCCCC(N)=O C72206 [1,1,0,0,0,0|1,0,0]=3 208 B6R0.4 O=C(O)\C=C\CCl 11303 [1,1,0,0,0,0|0,0,2]=4 209 B6R0.4 O=C([O-])CNCO F20522 [1,1,0,0,0,0|1,0,1]=4 210 B6R0.5 CCCP(=O)(O)O C15829 [1,1,0,0,0,0|1,0,0]=3 211 B6R0.5 O=P(O)(O)CCBr S12083 [1,1,0,0,0,0|2,0,0]=4 212 B6R0.5 O=P(O)(O)CCO D97366 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.5 O=S(=O)(O)CCBr 28570 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.8 CC(C)(C=O)CCl C90225 [1,1,0,0,0,0|1,0,0]=3 215 B6R0.8 CC(O)(CO)CO AC1642 [1,1,0,0,0,0|1,0,1]=4 216 B6R0.8 CC[C@](C)(N)C#N 25874 [1,1,0,0,0,0|1,0,1]=4 217 B6R0.9 CCC(C#N)CC AC1599 [1,1,0,0,0,0|1,0,1]=4 218 B6R0.9 CCC(CBr)CBr W17735 [1,1,0,0,0,0|1,0,1]=4 219 B6R0.9 CC[C@@H](CN)CO Y13480 [1,1,0,0,0,0|0,0,1]=3 220 B6R0.9 CO[C@@H](CN)CO P20679 [1,1,0,0,0,0|1,0,1]=4 221 B6R0.7 CC(=O)C(C)(C)N 71804 [1,1,0,0,0,0|1,0,0]=3 222 B6R0.7 CC(C)(C)C(=O)[O-] C71251 [1,1,0,0,0,0|0,0,1]=3 223 B6R0.7 CC(C)(Cl)C(=O)Cl S11011 [1,1,0,0,0,0|1,0,0]=3 224 B6R0.7 CC(C)(S)C(=O)O F17054 [1,1,0,0,0,0|0,0,0]=2 225 B6R0.7 C[C@H](O)C(C)(C)C D93306 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.7 C[C@H](O)C(C)(C)O D80869 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.7 O=C(O)C(F)(F)F P14585 [1,1,0,0,0,0|2,0,0]=4 228 B6R0.7 O=C(O)C(F)(F)F P15049 [1,1,0,0,0,0|2,0,0]=4 229 B6R0.7 O=C(O)C(F)(F)F P17642 [1,1,0,0,0,0|2,0,0]=4 230 B6R0.7 O=C(O)C(F)(F)F P17643 [1,1,0,0,0,0|2,0,0]=4 231 B6R0.7 O=C(O)C(F)(F)F P18398 [1,1,0,0,0,0|2,0,0]=4 232 B6R0.7 O=C(O)C(F)(F)F P19732 [1,1,0,0,0,0|2,0,0]=4 233 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O FD21836 [0,1,0,0,0,1|0,0,0]=2 234 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O C90303 [0,1,0,0,0,1|0,0,0]=2 235 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A11792 [0,1,0,0,0,1|1,0,0]=3 236 B8R0.5 C=CC[C@H](N)CC(=O)O F15070 [0,1,0,0,0,1|1,0,1]=4 237 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [0,1,0,0,0,1|1,0,0]=3 238 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [0,1,0,0,0,1|1,0,0]=3 239 B8R0.5 CCC\C(C)=C\C(=O)O A11778 [0,1,0,0,0,1|0,0,1]=3 240 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,1,0,0,0,1|1,0,0]=3 241 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,1,0,0,0,1|1,0,0]=3 242 B8R0.19 COC(=O)C[C@H](O)CCl A11858 [0,1,0,0,0,1|2,0,0]=4 243 B8R0.19 COC(=O)N[C@@H](C)CN D95526 [0,1,0,0,0,1|1,0,0]=3 244 B8R0.23 CC(=O)O[C@@H](C)C(C)=O H10680 [0,1,0,0,0,1|1,0,1]=4 245 B8R0.23 CC(C)N(C)CC(=O)O 71944 [0,1,0,0,0,1|1,0,0]=3 246 B8R0.23 CC(C)[C@@H](N)CC(=O)O 29560 [0,1,0,0,0,1|1,0,0]=3 247 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62353 [0,1,0,0,0,1|1,0,0]=3 248 B8R0.24 CC[C@H](C)OS(C)(=O)=O 38073 [0,1,0,0,0,1|1,0,1]=4 249 B8R0.34 CC(C)(C#N)CC(=O)O AT13969 [0,1,0,0,0,1|1,0,1]=4 250 B8R0.34 CC(C)(CN)CC(=O)O C11406 [0,1,0,0,0,1|1,0,0]=3 251 B8R0.34 CCS(=O)(=O)CC(=O)O AC1450 [0,1,0,0,0,1|2,0,0]=4 252 B8R0.3 C=CC[C@H](N)C(=O)OC 50494 [0,2,0,0,0,0|1,0,1]=4 253 B8R0.3 C=CC[C@H](N)C(=O)OC 78270 [0,2,0,0,0,0|1,0,1]=4 254 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,2,0,0,0,0|1,0,1]=4 255 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [0,2,0,0,0,0|1,0,0]=3 256 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [0,2,0,0,0,0|1,0,0]=3 257 B8R0.3 COC(=O)[C@H](C)N=C=O T72257 [0,2,0,0,0,0|1,0,1]=4 258 B8R0.3 COCC(=O)N(C)OC W16959 [0,2,0,0,0,0|2,0,0]=4 259 B8R0.3 COC[C@H](N)C(=O)OC C73433 [0,2,0,0,0,0|1,0,0]=3 260 B8R0.8 C=CCC[C@H](N)C(=O)O F12088 [0,2,0,0,0,0|1,0,0]=3 261 B8R0.8 C=CCC[C@H](N)C(=O)O F15989 [0,2,0,0,0,0|1,0,0]=3 262 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,2,0,0,0,0|1,0,0]=3 264 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [0,2,0,0,0,0|1,0,0]=3 265 B8R0.12 C#CCC(C)(C)C(=O)O D95067 [0,2,0,0,0,0|0,0,1]=3 266 B8R0.12 C=CC[C@](C)(N)C(=O)O F12113 [0,2,0,0,0,0|0,0,1]=3 267 B8R0.12 CC(C)(CC#N)C(=O)O D84383 [0,2,0,0,0,0|0,0,1]=3 268 B8R0.12 CC(C)(CCCl)C(=O)Cl AC1915 [0,2,0,0,0,0|1,0,0]=3 269 B8R0.12 CCOC(C)(C)C(N)=O Y13484 [0,2,0,0,0,0|1,0,0]=3 270 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [0,2,0,0,0,0|0,0,0]=2 271 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [0,2,0,0,0,0|0,0,0]=2 272 B8R0.13 C#CC(C)(C)C(=O)OC AB9700 [0,2,0,0,0,0|0,0,2]=4 273 B8R0.13 COC(=O)C(C)(C)C=O C72545 [0,2,0,0,0,0|1,0,1]=4 274 B8R0.13 COC(=O)[C@@](C)(N)CO D77168 [0,2,0,0,0,0|1,0,0]=3 275 B8R0.20 CCN(CC)C(=O)CN D95088 [0,2,0,0,0,0|2,0,0]=4 276 B8R0.20 CC[C@@H](CO)C(=O)OC AB9727 [0,2,0,0,0,0|0,0,0]=2 277 B8R0.20 CC[C@H](C#N)C(=O)OC Y14710 [0,2,0,0,0,0|0,0,1]=3 278 B8R0.20 COC(=O)C(CN)CN N13257 [0,2,0,0,0,0|1,0,0]=3 279 B8R0.36 CCC(N)(CC)C(=O)O 20649 [0,2,0,0,0,0|0,0,0]=2 280 B8R0.36 CCC(N)(CC)C(N)=O A10077 [0,2,0,0,0,0|1,0,0]=3 281 B8R0.37 CC(C)[C@](C)(N)C(=O)O O10056 [0,2,0,0,0,0|0,0,0]=2 282 B8R0.27 CC(C)(C)[C@H](N)C(=O)O C14699 [0,2,0,0,0,0|1,0,0]=3 283 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 62402 [0,2,0,0,0,0|1,0,0]=3 284 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31225 [0,2,0,0,0,0|1,0,0]=3 285 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31227 [0,2,0,0,0,0|1,0,0]=3 286 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 56185 [0,2,0,0,0,0|1,0,0]=3 287 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 77791 [0,2,0,0,0,0|1,0,0]=3 288 B8R0.27 CC(C)(S)[C@H](N)C(=O)O I10039 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.27 C[C@H](C(=O)O)C(F)(F)F I10973 [0,2,0,0,0,0|1,0,0]=3 290 B8R0.18 CC(C)[C@H](CN)C(=O)O 32008 [0,2,0,0,0,0|0,0,0]=2 291 B8R0.18 CC(C)[C@H](CN)C(=O)O 32570 [0,2,0,0,0,0|0,0,0]=2 292 B8R0.18 CC(C)[C@H](CN)C(=O)O 32574 [0,2,0,0,0,0|0,0,0]=2 293 B8R0.18 CC(C)[C@H](CN)C(=O)O F15099 [0,2,0,0,0,0|0,0,0]=2 294 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O C15482 [0,2,0,0,0,0|0,0,0]=2 295 B6R1.2 NC1=NCCO1 53947 [1,0,0,1,0,0|2,0,0]=4 296 B6R1.2 O=C1CNCN1 25530 [1,0,0,1,0,0|2,0,0]=4 297 B6R1.5 CC1CC(=O)C1 P12177 [1,0,0,1,0,0|1,0,0]=3 298 B6R1.5 CN1CC(=O)C1 P15929 [1,0,0,1,0,0|2,0,0]=4 299 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [1,0,0,1,0,0|0,0,0]=2 300 B6R1.5 O=C1CC(O)C1 P12929 [1,0,0,1,0,0|2,0,0]=4 301 B6R1.10 CC1(O)CCC1 83777 [1,0,0,1,0,0|1,0,1]=4 302 B6R1.11 C[C@H](O)C1CC1 C77522 [1,0,0,1,0,0|1,0,1]=4 303 B6R1.11 C[C@H](O)C1CC1 C77523 [1,0,0,1,0,0|1,0,1]=4 304 B6R1.11 O=C([O-])[C@@H]1CO1 50549 [1,0,0,1,0,0|1,0,1]=4 305 B6R1.11 O=C([O-])[C@@H]1CO1 50593 [1,0,0,1,0,0|1,0,1]=4 306 B6R1.11 O=[S@]([O-])C1CC1 29996 [1,0,0,1,0,0|1,0,1]=4 307 B6R1.4 CC1OCC1O P16543 [1,0,0,1,0,0|1,0,1]=4 308 B6R1.4 C[C@@H]1OCC1=O P16003 [1,0,0,1,0,0|1,0,0]=3 309 B6R1.4 C[C@H]1CCC1=O W18267 [1,0,0,1,0,0|0,0,0]=2 310 B6R1.4 C[C@H]1CNC1=O P20594 [1,0,0,1,0,0|1,0,0]=3 311 B6R1.4 C[C@H]1NC[C@@H]1O D79131 [1,0,0,1,0,0|1,0,1]=4 312 B6R1.4 C[C@H]1NC[C@@H]1O P18430 [1,0,0,1,0,0|1,0,1]=4 313 B6R1.4 NC1CCC1O 94999 [1,0,0,1,0,0|1,0,1]=4 314 B6R1.4 N[C@@H]1CC[C@@H]1O P18786 [1,0,0,1,0,0|1,0,1]=4 315 B6R1.4 O=C1CC[C@@H]1Br P18435 [1,0,0,1,0,0|1,0,0]=3 316 B6R1.4 OC1CCC1O D79179 [1,0,0,1,0,0|1,0,1]=4 317 B6R1.4 O[C@H]1CC[C@@H]1O P21043 [1,0,0,1,0,0|1,0,1]=4 318 B6R1.6 CNC1CCC1 20929 [1,0,0,1,0,0|2,0,0]=4 319 B6R1.6 NNC1CCC1 AB1362 [1,0,0,1,0,0|2,0,0]=4 320 B6R1.6 NNC1CCC1 BL010353 [1,0,0,1,0,0|2,0,0]=4 321 B6R1.6 O=CC1COC1 84841 [1,0,0,1,0,0|1,0,0]=3 322 B6R1.6 OCC1CNC1 65945 [1,0,0,1,0,0|1,0,1]=4 323 B6R1.6 OC[C@H]1CCN1 36269 [1,0,0,1,0,0|1,0,1]=4 324 B6R1.6 OC[C@H]1CCN1 38353 [1,0,0,1,0,0|1,0,1]=4 325 B6R1.6 OC[C@H]1CCN1 38354 [1,0,0,1,0,0|1,0,1]=4 326 B6R1.6 OC[C@H]1CCO1 26540 [1,0,0,1,0,0|1,0,1]=4 327 B6R1.6 OC[C@H]1CCO1 AT10832 [1,0,0,1,0,0|1,0,1]=4 328 B6R1.6 OC[C@H]1CCO1 P19736 [1,0,0,1,0,0|1,0,1]=4 329 B6R1.7 CC1(CN)CC1 W10016 [1,0,0,1,0,0|1,0,1]=4 330 B6R1.7 C[C@]1(CO)CO1 95575 [1,0,0,1,0,0|1,0,1]=4 331 B6R1.7 NC1(CO)CC1 32781 [1,0,0,1,0,0|1,0,1]=4 332 B6R1.7 OCC1(F)CC1 72692 [1,0,0,1,0,0|1,0,1]=4 333 B6R1.7 OCC1(O)CC1 72268 [1,0,0,1,0,0|1,0,1]=4 334 B8R1.1 C#C[C@@H]1COC(=O)N1 66220 [0,0,0,1,0,1|0,0,2]=4 335 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [0,0,0,1,0,1|0,0,2]=4 336 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [0,0,0,1,0,1|2,0,0]=4 337 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [0,0,0,1,0,1|2,0,0]=4 338 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [0,0,0,1,0,1|2,0,0]=4 339 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [0,0,0,1,0,1|2,0,0]=4 340 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [0,0,0,1,0,1|2,0,0]=4 341 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [0,0,0,1,0,1|2,0,0]=4 342 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [0,0,0,1,0,1|2,0,0]=4 343 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [0,0,0,1,0,1|2,0,0]=4 344 B8R1.1 NC[C@H]1CNC(=O)O1 P14233 [0,0,0,1,0,1|2,0,0]=4 345 B8R1.1 NC[C@H]1CNC(=O)O1 P14473 [0,0,0,1,0,1|2,0,0]=4 346 B8R1.1 NC[C@H]1CNC(=O)O1 P14857 [0,0,0,1,0,1|2,0,0]=4 347 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,0,0,1,0,1|2,0,0]=4 348 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,0,0,1,0,1|2,0,0]=4 349 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,0,0,1,0,1|2,0,0]=4 350 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [0,0,0,1,0,1|2,0,0]=4 351 B8R1.1 O=C1NC[C@H](CO)O1 70228 [0,0,0,1,0,1|2,0,0]=4 352 B8R1.1 O=C1N[C@@H](CI)CO1 C72732 [0,0,0,1,0,1|1,0,0]=3 353 B8R1.1 O=C1N[C@@H](CO)CO1 AC1845 [0,0,0,1,0,1|1,0,0]=3 354 B8R1.1 O=C1N[C@@H](CO)CO1 F50277 [0,0,0,1,0,1|1,0,0]=3 355 B8R1.1 O=C1N[C@@H](CO)CO1 F50345 [0,0,0,1,0,1|1,0,0]=3 356 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,0,0,1,0,1|0,0,1]=3 357 B8R1.4 CN1CCCC(=O)C1 S10664 [0,0,0,1,0,1|2,0,0]=4 358 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,0,0,1,0,1|2,0,0]=4 359 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,0,0,1,0,1|2,0,0]=4 360 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,0,0,1,0,1|2,0,0]=4 361 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,0,0,1,0,1|2,0,0]=4 362 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,0,0,1,0,1|1,0,0]=3 363 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,0,0,1,0,1|0,0,0]=2 364 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,0,0,1,0,1|2,0,0]=4 365 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,0,0,1,0,1|2,0,0]=4 366 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,0,0,1,0,1|2,0,0]=4 367 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,0,0,1,0,1|2,0,0]=4 368 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,0,0,1,0,1|2,0,0]=4 369 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,0,0,1,0,1|2,0,0]=4 370 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,0,0,1,0,1|2,0,0]=4 371 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,0,0,1,0,1|1,0,1]=4 372 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [0,0,0,1,0,1|2,0,0]=4 373 B8R1.31 CC1NCC1C(=O)O P14366 [0,0,0,1,0,1|1,0,0]=3 374 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [0,0,0,1,0,1|1,0,0]=3 375 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [0,0,0,1,0,1|1,0,0]=3 376 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [0,0,0,1,0,1|1,0,0]=3 377 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [0,0,0,1,0,1|1,0,0]=3 378 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [0,0,0,1,0,1|1,0,0]=3 379 B8R1.34 CC(=O)CC1CCC1 D79207 [0,0,0,1,0,1|1,0,0]=3 380 B8R1.34 CC(=O)CC1COC1 CS1731 [0,0,0,1,0,1|2,0,0]=4 381 B8R1.34 CC(=O)OC1CNC1 C72427 [0,0,0,1,0,1|2,0,0]=4 382 B8R1.34 CC(=O)OC1CNC1 C76369 [0,0,0,1,0,1|2,0,0]=4 383 B8R1.34 N=C(N)CC1CCC1 33747 [0,0,0,1,0,1|2,0,0]=4 384 B8R1.34 O=C(O)CC1CNC1 37024 [0,0,0,1,0,1|1,0,0]=3 385 B8R1.34 O=C(O)CC1COC1 66388 [0,0,0,1,0,1|1,0,0]=3 386 B8R1.34 O=C(O)CN1CCC1 55159 [0,0,0,1,0,1|1,0,0]=3 387 B8R1.34 O=C([O-])CC1COC1 P19943 [0,0,0,1,0,1|1,0,1]=4 388 B8R1.43 N#CC1CC1C(=O)O P14648 [0,0,0,1,0,1|1,0,1]=4 389 B8R1.43 N#C[C@H]1C[C@@H]1C(=O)O P14731 [0,0,0,1,0,1|1,0,1]=4 390 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O P14732 [0,0,0,1,0,1|1,0,1]=4 391 B8R1.43 O=C(O)C1CC1CCl D85971 [0,0,0,1,0,1|1,0,0]=3 392 B8R1.43 O=C(O)[C@H]1C[C@@H]1CCl P19534 [0,0,0,1,0,1|1,0,0]=3 393 B8R1.51 C[C@H]1CCS(=O)(=O)O1 E70444 [0,0,0,1,0,1|1,0,1]=4 394 B8R1.62 CC1(CO)CC(=O)C1 39121 [0,0,0,1,0,1|2,0,0]=4 395 B8R1.5 CC1CCNCC1O 38882 [0,1,0,1,0,0|1,0,1]=4 396 B8R1.5 CC1CNCCC1O 20765 [0,1,0,1,0,0|1,0,1]=4 397 B8R1.5 CC1CNCCC1O 33365 [0,1,0,1,0,0|1,0,1]=4 398 B8R1.5 CC1NCCOC1C F12405 [0,1,0,1,0,0|1,0,1]=4 399 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,1,0,1,0,0|1,0,0]=3 400 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,1,0,1,0,0|1,0,0]=3 401 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,1,0,1,0,0|0,0,0]=2 402 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [0,1,0,1,0,0|1,0,1]=4 403 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [0,1,0,1,0,0|1,0,1]=4 404 B8R1.5 C[C@H]1COCCC1=O 27832 [0,1,0,1,0,0|1,0,0]=3 405 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,1,0,1,0,0|1,0,0]=3 406 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,1,0,1,0,0|2,0,0]=4 407 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,1,0,1,0,0|2,0,0]=4 408 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [0,1,0,1,0,0|2,0,0]=4 410 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,1,0,1,0,0|2,0,0]=4 411 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,1,0,1,0,0|2,0,0]=4 412 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,1,0,1,0,0|1,0,0]=3 413 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.7 N=C(N)[C@@H]1CCCN1 D72051 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.7 N=C(N)[C@@H]1CCCO1 C75904 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.7 NC(=O)N1CCCC1 32811 [0,1,0,1,0,0|2,0,0]=4 418 B8R1.7 NC(=O)[C@H]1CCNC1 31795 [0,1,0,1,0,0|1,0,0]=3 419 B8R1.7 NC(=O)[C@H]1CCNC1 37190 [0,1,0,1,0,0|1,0,0]=3 420 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [0,1,0,1,0,0|1,0,0]=3 421 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [0,1,0,1,0,0|1,0,0]=3 422 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [0,1,0,1,0,0|0,0,0]=2 423 B8R1.7 O=C(O)[C@@H]1COCN1 A11387 [0,1,0,1,0,0|1,0,0]=3 424 B8R1.7 O=C(O)[C@@H]1COCN1 C73113 [0,1,0,1,0,0|1,0,0]=3 425 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [0,1,0,1,0,0|0,0,0]=2 426 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [0,1,0,1,0,0|0,0,0]=2 427 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [0,1,0,1,0,0|0,0,0]=2 428 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [0,1,0,1,0,0|0,0,0]=2 429 B8R1.19 CC1(C)CCC[C@@H]1O D79630 [0,1,0,1,0,0|1,0,1]=4 430 B8R1.19 CC1(C)CCC[C@@H]1O D79631 [0,1,0,1,0,0|1,0,1]=4 431 B8R1.19 CC1(C)CCNC1=O 79628 [0,1,0,1,0,0|1,0,0]=3 432 B8R1.19 CC1(C)CCNC1=S W12656 [0,1,0,1,0,0|1,1,0]=4 433 B8R1.19 CC1(C)CONC1=O D73557 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.19 CC1(C)OCCC1=O P18857 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.19 C[C@@H]1COC[C@]1(C)O 73229 [0,1,0,1,0,0|1,0,1]=4 436 B8R1.23 NC1CC(C(=O)O)C1 38020 [0,1,0,1,0,0|0,0,0]=2 437 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [0,1,0,1,0,0|0,0,0]=2 438 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [0,1,0,1,0,0|0,0,0]=2 439 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [0,1,0,1,0,0|0,0,0]=2 440 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [0,1,0,1,0,0|0,0,0]=2 441 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [0,1,0,1,0,0|0,0,0]=2 442 B8R1.23 O=C(O)C1CC(F)C1 37218 [0,1,0,1,0,0|0,0,0]=2 443 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [0,1,0,1,0,0|0,0,0]=2 444 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [0,1,0,1,0,0|0,0,0]=2 445 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P10146 [0,1,0,1,0,0|1,0,1]=4 446 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P11831 [0,1,0,1,0,0|1,0,1]=4 447 B8R1.54 N[C@H](C(=O)O)C1CC1 59339 [0,1,0,1,0,0|1,0,0]=3 448 B8R1.78 CC(=O)C1(C)COC1 32790 [0,1,0,1,0,0|1,0,0]=3 449 B8R1.78 C[C@@]1(C(=O)O)CCO1 P18488 [0,1,0,1,0,0|0,0,0]=2 450 B8R1.78 NC(=O)C1(N)COC1 P19028 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.78 NC1(C(=O)O)CNC1 38052 [0,1,0,1,0,0|1,0,0]=3 452 B8R1.78 NC1(C(=O)O)CSC1 P11488 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.78 O=C(O)C1(O)CCC1 F50565 [0,1,0,1,0,0|0,0,0]=2 454 B8R1.78 O=C(O)C1(O)CNC1 P12583 [0,1,0,1,0,0|1,0,0]=3 455 B8R1.78 O=[N+]([O-])C1(Br)CCC1 AC1297 [0,1,0,1,0,0|1,0,1]=4 456 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [0,1,0,1,0,0|1,0,1]=4 457 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [0,1,0,1,0,0|1,0,1]=4 458 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [0,1,0,1,0,0|1,0,1]=4 459 B8R1.11 N#C[C@H]1COCC1=O P13840 [0,1,0,1,0,0|1,0,1]=4 460 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,1,0,1,0,0|1,0,0]=3 461 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,1,0,1,0,0|1,0,0]=3 462 B8R1.11 O=C1NCC[C@@H]1CO P12214 [0,1,0,1,0,0|1,0,0]=3 463 B8R1.38 CCC(=O)C1COC1 D79147 [0,1,0,1,0,0|2,0,0]=4 464 B8R1.38 CNC(=O)C1CNC1 P20515 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.38 COC(=O)C1COC1 81275 [0,1,0,1,0,0|1,0,0]=3 466 B8R1.38 COC(=O)[C@@H]1CCN1 38788 [0,1,0,1,0,0|1,0,0]=3 467 B8R1.38 O=C(CBr)N1CCC1 P20407 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.39 O=C(CCl)C1(Cl)CC1 D88098 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.50 CC1=C(Br)COC1=O W19136 [0,1,0,1,0,0|0,0,2]=4 470 B8R1.50 CN1CCN(C)C1=O D77693 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.50 CN1CC[C@H](Br)C1=O C77641 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.50 CN1CC[C@H](N)C1=O 51274 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.63 C#CC1(C(=O)O)CC1 93656 [0,1,0,1,0,0|0,0,1]=3 474 B8R1.63 CCC1(C(=O)O)CC1 P15303 [0,1,0,1,0,0|0,0,0]=2 475 B8R1.63 COC1(C(=O)O)CC1 92150 [0,1,0,1,0,0|0,0,0]=2 476 B8R1.63 NC(=O)C1(CO)CC1 AC2953 [0,1,0,1,0,0|1,0,0]=3 477 B8R1.63 O=C(O)C1(CBr)CC1 F30357 [0,1,0,1,0,0|0,0,0]=2 478 B8R1.63 O=C(O)C1(CO)CC1 F53113 [0,1,0,1,0,0|0,0,0]=2 479 B8R1.55 NS(=O)(=O)C1CCC1 C77469 [0,1,0,1,0,0|1,0,1]=4 480 B8R1.55 O=S(=O)(Cl)C1CCC1 84646 [0,1,0,1,0,0|1,0,1]=4 481 B8R1.70 CC1(S(=O)(=O)Cl)CC1 68609 [0,1,0,1,0,0|1,0,1]=4 482 B8R1.70 CC1(S(=O)(=O)[O-])CC1 60161 [0,1,0,1,0,0|1,0,1]=4 483 B8R1.77 O=C(O)C1CC1(F)Cl CS1218 [0,1,0,1,0,0|1,0,0]=3 484 B8R1.77 O=C(O)[C@H]1CC1(F)F P15788 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.77 O=C(O)[C@H]1CC1(F)F P17160 [0,1,0,1,0,0|1,0,0]=3 486 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,2,0,0|1,0,0]=3 487 B8R2.38 O=C1CCC2OC12 60057 [0,0,0,2,0,0|2,0,0]=4 488 B8R2.19 O=C1CCC12CC2 P10135 [0,0,0,2,0,0|1,0,0]=3 489 B8R2.19 O[C@H]1CCC12CC2 D96738 [0,0,0,2,0,0|1,0,1]=4 490 B8R0.9 CCC(C)=CCC(=O)O C75612 [0,0,0,0,0,2|0,0,1]=3 491 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [0,0,0,0,0,2|1,0,0]=3 492 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [0,0,0,0,0,2|2,0,0]=4 493 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [0,0,0,0,0,2|2,0,0]=4