0 B6R0.1 C=CC[C@H](N)CO F16846 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CCC[C@@H](Br)CC D78429 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.1 CCC[C@H](N)CO C13482 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.1 CCNC(=O)CO 79517 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 CCO[C@@H](C)CO 91003 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CC[C@H](S)CCO D84734 [0,0,0,0,0,0|1,1,0]=2 6 B6R0.1 CNC(=O)CCN C75423 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 CNC(=O)CCO AC6610 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 CNC(=O)CCS A11187 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 COC[C@@H](O)CN 94767 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 NCC[C@H](O)CO F51073 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 N[C@H](CO)CCO AB10026 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.1 N[C@H](CO)CCO AB10027 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.1 N[C@H](CS)CCS F52529 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.1 C=CC[C@H](C)O 71459 [1,0,0,0,0,0|0,0,2]=3 15 B5R0.1 C=CC[C@H](C)O A12634 [1,0,0,0,0,0|0,0,2]=3 16 B5R0.1 CCC[C@H](C)N P14575 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.1 CCC[C@H](C)N Y10887 [1,0,0,0,0,0|1,0,0]=2 18 B5R0.1 CN(C)CCO D93012 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CNCC(F)F D86102 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 CNC[C@H](C)O AC1157 [1,0,0,0,0,0|1,0,0]=2 21 B5R0.1 CNC[C@H](C)O N12528 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.1 COC[C@H](C)Br 78860 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 COC[C@H](C)N 25526 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 COC[C@H](C)N D95458 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 COC[C@H](C)N W17998 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 C[C@H](N)CC#N 12486 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 C[C@H](O)CC#N 87623 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 C[C@H](O)CCN 83616 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.1 C[C@H](O)CON O10313 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 C[S+](C)CCCl 77752 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 NCCC(F)F D77085 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 OCCC(F)F P18054 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.2 C#CCCCI C78094 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.2 C#CCCCN 72839 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.2 C#CCOCC C90311 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.2 C=CCCNC W16107 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.2 CCCCON 31644 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.2 CNOCCN D97505 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.2 COCCCO D77912 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.2 NCCCCCl F19552 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.2 NNCCCO AB9423 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.2 O=CCCCO 55817 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.3 C=C[C@@H](O)CO 56500 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.3 CCC(=O)CN S11993 [1,0,0,0,0,0|1,0,2]=4 45 B5R0.3 CC[C@H](C)CN 88665 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.3 CC[C@H](N)C#N 98383 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.3 CC[PH](=O)CC C77650 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.3 CN[C@@H](C)CO AC8719 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.3 CN[C@@H](C)CO C77593 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.3 CN[C@@H](C)CO D80042 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.3 CN[C@@H](C)CO D80344 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.3 CN[C@@H](C)CO D82586 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.3 CO[C@@H](C)CN 91001 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.3 CO[C@@H](C)CO 91002 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.3 C[C@@H](CN)CCl 72948 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.3 C[C@@H](CO)CBr AB3182 [1,0,0,0,0,0|3,0,0]=4 57 B5R0.3 FCC(I)CF AC4509 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.3 NC[C@H](Br)CBr AC1488 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.3 NC[C@H](F)CO 94841 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.3 NC[C@H](F)CO 94845 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.3 NC[C@H](F)CO 94846 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.3 NC[C@H](O)CCl C10413 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.3 NC[C@H](O)CF 94771 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.3 OC[C@H](O)CF 65949 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.3 OC[C@H](O)CF F14582 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.2 C=C[C@@H](O)CC(C)C A12558 [0,1,0,0,0,0|0,0,2]=3 67 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,1,0,0,0,0|1,0,1]=3 69 B7R0.2 CC[C@H](N)CC(=O)O 51922 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.2 CC[C@H](N)CC(=O)O 52000 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.2 CC[C@H](O)CC(=O)O C14017 [0,1,0,0,0,0|1,0,1]=3 72 B7R0.2 CN(C)C[C@H](O)CO D95190 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.2 COC(=O)C[C@H](C)N FD10418 [0,1,0,0,0,0|1,0,2]=4 74 B7R0.2 COC(=O)C[C@H](C)N S11691 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.2 COC(C)CC(C)O 78061 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.3 CCC(=O)OCCO A11774 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.3 CNCCC(=O)OC AB11809 [0,1,0,0,0,0|1,0,2]=4 78 B7R0.3 COC(=O)CCCI F19766 [0,1,0,0,0,0|1,0,2]=4 79 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.5 CC(C)[C@@H](O)CCN 83602 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.5 CCCC(Br)C(C)Br D81745 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.5 CCC[C@H](O)C(=O)O 77792 [0,1,0,0,0,0|1,0,1]=3 83 B7R0.5 CCOC(=O)[C@H](C)O D75729 [0,1,0,0,0,0|1,0,2]=4 84 B7R0.5 CCSC(=O)[C@H](C)N C14826 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.7 C=C(CCBr)CCBr W15711 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.7 CCC[C@H](Br)CCBr D94373 [0,1,0,0,0,0|1,0,0]=2 87 B7R0.7 CCC[C@H](N)CCO AT20461 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.7 CCC[C@H](N)CCO I11080 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.7 CCC[C@H](N)CCO N12794 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.7 CCNC(=O)CCCl Y14703 [0,1,0,0,0,0|1,0,2]=4 91 B7R0.7 CCNC(=O)CNC A12930 [0,1,0,0,0,0|1,0,2]=4 92 B7R0.7 CCOP(C)OCC 28742 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.7 CN(CCO)CCO A10780 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.7 COCC(=O)COC 36699 [0,1,0,0,0,0|1,0,2]=4 95 B7R0.7 COC[C@@H](N)CCO AT12992 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.10 CCC(C)[C@H](N)C#N AR2444 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [0,1,0,0,0,0|1,0,2]=4 99 B7R0.10 CC[C@H](O)C(=O)OC 98375 [0,1,0,0,0,0|1,0,1]=3 100 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.10 COC(=O)[C@@H](O)CN D97235 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.10 OC[C@H](O)[C@@H](O)CO T72117 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.10 O[C@@H](CS)[C@@H](O)CS T70362 [0,1,0,0,0,0|2,0,0]=3 105 B7R0.11 CC(C)(CO)CCO W16131 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.11 CCC(C)(C)CCCl F50555 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.11 CCCC(C)(C)C#N T70545 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.11 CCC[C@](C)(N)C#N 20848 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.11 CCOS(=O)(=O)CC A10945 [0,1,0,0,0,0|2,0,1]=4 110 B7R0.11 CCS(=O)(=O)CCN AR2318 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.11 COCC(C)(C)CO BL000418 [0,1,0,0,0,0|3,0,0]=4 112 B7R0.12 CCCC(CO)CO AB7729 [0,1,0,0,0,0|1,0,0]=2 113 B7R0.12 CCN(CCO)N=O T71710 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.12 CCN[C@@H](CC)CO 29377 [0,1,0,0,0,0|1,0,0]=2 115 B7R1.1 BrCC1=CCCC1 37275 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.1 BrC[C@H]1CCOC1 84096 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.1 C=CC1CCCC1 T72385 [0,0,0,1,0,0|1,0,2]=4 118 B7R1.1 CC[C@H]1CCCN1 F16886 [0,0,0,1,0,0|1,0,0]=2 119 B7R1.1 CC[C@H]1CCNC1 P14869 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.1 CN[C@H]1CCOC1 P18534 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.1 CN[C@H]1CCOC1 P18535 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.1 COC1=CCCC1 D93350 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.1 CO[C@H]1CCNC1 26935 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.1 CO[C@H]1CCNC1 P10862 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.1 FC[C@H]1CCCN1 37688 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.1 FC[C@H]1CCCN1 P11073 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.1 FC[C@H]1CCNC1 P18731 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.1 N#C[C@@H]1CCCN1 37678 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.1 N#C[C@@H]1CCCN1 68253 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.1 N#C[C@@H]1CCCN1 68254 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.1 N#C[C@@H]1CCCO1 31513 [0,0,0,1,0,0|1,0,1]=3 132 B7R1.1 NCC1CCCC1 P10292 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.1 NC[C@H]1CCCN1 83159 [0,0,0,1,0,0|2,0,0]=3 134 B7R1.1 NC[C@H]1CCCO1 83007 [0,0,0,1,0,0|1,0,0]=2 135 B7R1.1 NC[C@H]1CCCO1 S11127 [0,0,0,1,0,0|1,0,0]=2 136 B7R1.1 NC[C@H]1CCOC1 37316 [0,0,0,1,0,0|3,0,0]=4 137 B7R1.1 NC[C@H]1CCOC1 68891 [0,0,0,1,0,0|3,0,0]=4 138 B7R1.1 NC[C@H]1CCOC1 P12031 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.1 NNC1CCCC1 BL010355 [0,0,0,1,0,0|3,0,0]=4 140 B7R1.1 NOC1CCCC1 97655 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.1 OC[C@H]1CCCO1 66575 [0,0,0,1,0,0|1,0,0]=2 142 B7R1.1 OC[C@H]1CCNC1 24481 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.1 OC[C@H]1CCNC1 29239 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.1 OC[C@H]1CCNC1 30959 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.1 OC[C@H]1CCOC1 37313 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.1 OC[C@H]1CCOC1 37314 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.2 CN1CCC(=O)C1 64220 [0,0,0,1,0,0|1,0,2]=4 149 B7R1.2 CN1CC[C@H](Br)C1 C14104 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.2 CN1CC[C@H](N)C1 51282 [0,0,0,1,0,0|2,0,0]=3 151 B7R1.2 CN1CC[C@H](N)C1 51289 [0,0,0,1,0,0|2,0,0]=3 152 B7R1.2 CN1CC[C@H](N)C1 FD9067 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,0,0,1,0,0|1,0,2]=4 154 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [0,0,0,1,0,0|1,0,0]=2 155 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,0,0,1,0,0|1,0,2]=4 156 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,0,0,1,0,0|1,0,2]=4 157 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.2 NC1CCC(N)C1 D79385 [0,0,0,1,0,0|2,0,0]=3 160 B7R1.2 NC1CCC(O)C1 21055 [0,0,0,1,0,0|1,0,0]=2 161 B7R1.2 NC1CCC(O)C1 26425 [0,0,0,1,0,0|1,0,0]=2 162 B7R1.2 N[C@@H]1CC[C@H](F)C1 P18588 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.2 N[C@@H]1CC[C@H](F)C1 P20484 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [0,0,0,1,0,0|1,0,0]=2 165 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [0,0,0,1,0,0|1,0,0]=2 166 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [0,0,0,1,0,0|1,0,0]=2 167 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [0,0,0,1,0,0|1,0,0]=2 168 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [0,0,0,1,0,0|1,0,0]=2 169 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [0,0,0,1,0,0|1,0,0]=2 170 B7R1.2 N[C@H]1CC[C@H](N)C1 F53332 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [0,0,0,1,0,0|1,0,0]=2 172 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [0,0,0,1,0,0|1,0,0]=2 173 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [0,0,0,1,0,0|1,0,0]=2 174 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,0,0,1,0,0|1,0,1]=3 175 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.2 O[C@@H]1C=C[C@H](O)C1 P10067 [0,0,0,1,0,0|1,0,2]=4 177 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [0,0,0,1,0,0|1,0,0]=2 178 B7R1.3 C=C1CCNCC1 88914 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.3 C=C1CCOCC1 84295 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.3 C[C@H]1CCCCN1 C73894 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.3 C[C@H]1CCCNC1 36405 [0,0,0,1,0,0|2,0,0]=3 182 B7R1.3 C[C@H]1CNCCO1 24564 [0,0,0,1,0,0|3,0,0]=4 183 B7R1.3 C[C@H]1CNCCO1 27729 [0,0,0,1,0,0|3,0,0]=4 184 B7R1.3 C[C@H]1CNCCO1 F13460 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.3 C[C@H]1CNCCO1 P11013 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.3 C[C@H]1COCCN1 72593 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.3 F[C@H]1CCCNC1 37161 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.3 F[C@H]1CCCNC1 37162 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.3 N[C@@H]1C=CCCC1 D84435 [0,0,0,1,0,0|1,0,2]=4 190 B7R1.3 N[C@H]1CCCNC1 C72133 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.3 N[C@H]1CCCOC1 F10442 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.3 O=C1CCCCS1 D95162 [0,0,0,1,0,0|1,0,2]=4 193 B7R1.3 O[C@@H]1C=CCNC1 S11183 [0,0,0,1,0,0|1,0,2]=4 194 B7R1.3 O[C@@H]1CNCCO1 26254 [0,0,0,1,0,0|2,0,0]=3 195 B7R1.3 O[C@H]1CCCOC1 P10754 [0,0,0,1,0,0|1,0,0]=2 196 B7R1.3 O[C@H]1CCCOC1 P10755 [0,0,0,1,0,0|1,0,0]=2 197 B7R1.3 SC1CCNCC1 39018 [0,0,0,1,0,0|1,1,0]=3 198 B7R1.3 SC1CCOCC1 AT12453 [0,0,0,1,0,0|1,1,0]=3 199 B7R1.3 S[C@H]1CCCNC1 P11853 [0,0,0,1,0,0|1,1,0]=3 200 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.4 CC1CNCC1C P18713 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,0,0,1,0,0|1,0,0]=2 203 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,0,0,1,0,0|0,0,0]=1 204 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,0,0,1,0,0|1,0,0]=2 207 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,0,0,1,0,0|0,0,0]=1 208 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,0,0,1,0,0|1,0,0]=2 209 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,0,0,1,0,0|1,0,0]=2 211 B7R1.4 F[C@H]1CNC[C@H]1F 83249 [0,0,0,1,0,0|3,0,0]=4 212 B7R1.4 NC1CCCC1N F16273 [0,0,0,1,0,0|2,0,0]=3 213 B7R1.4 NC1COCC1O O11159 [0,0,0,1,0,0|2,0,0]=3 214 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,0,0,1,0,0|1,0,0]=2 215 B7R1.4 N[C@@H]1COC[C@@H]1F W12424 [0,0,0,1,0,0|3,0,0]=4 216 B7R1.4 N[C@@H]1COC[C@@H]1N P15675 [0,0,0,1,0,0|3,0,0]=4 217 B7R1.4 N[C@@H]1COC[C@@H]1O F53671 [0,0,0,1,0,0|2,0,0]=3 218 B7R1.4 N[C@@H]1COC[C@@H]1O P12686 [0,0,0,1,0,0|2,0,0]=3 219 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [0,0,0,1,0,0|2,0,0]=3 220 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [0,0,0,1,0,0|2,0,0]=3 221 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,0,0,1,0,0|1,0,0]=2 222 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [0,0,0,1,0,0|2,0,0]=3 223 B7R1.4 N[C@H]1CNC[C@@H]1F D72106 [0,0,0,1,0,0|3,0,0]=4 224 B7R1.4 N[C@H]1COC[C@@H]1F W12730 [0,0,0,1,0,0|3,0,0]=4 225 B7R1.4 N[C@H]1COC[C@@H]1N 37783 [0,0,0,1,0,0|3,0,0]=4 226 B7R1.4 N[C@H]1COC[C@@H]1N 37786 [0,0,0,1,0,0|3,0,0]=4 227 B7R1.4 N[C@H]1COC[C@@H]1N P15676 [0,0,0,1,0,0|3,0,0]=4 228 B7R1.4 N[C@H]1COC[C@@H]1O 71841 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.4 N[C@H]1COC[C@@H]1O P12486 [0,0,0,1,0,0|2,0,0]=3 230 B7R1.4 N[C@H]1COC[C@@H]1O P15828 [0,0,0,1,0,0|2,0,0]=3 231 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,0,0,1,0,0|2,0,1]=4 232 B7R1.4 O[C@@H]1CNC[C@@H]1F 72988 [0,0,0,1,0,0|2,0,0]=3 233 B7R1.4 O[C@H]1CCC=C1Br D79898 [0,0,0,1,0,0|1,0,2]=4 234 B7R1.4 O[C@H]1CNC[C@@H]1F 38827 [0,0,0,1,0,0|2,0,0]=3 235 B7R1.4 O[C@H]1CNC[C@@H]1F P15834 [0,0,0,1,0,0|2,0,0]=3 236 B7R1.4 O[C@H]1CNC[C@@H]1O 39002 [0,0,0,1,0,0|2,0,0]=3 237 B7R1.4 O[C@H]1CNC[C@@H]1O P15707 [0,0,0,1,0,0|2,0,0]=3 238 B7R1.4 O[C@H]1COC[C@@H]1F 73076 [0,0,0,1,0,0|2,0,0]=3 239 B7R1.4 O[C@H]1COC[C@@H]1O 66690 [0,0,0,1,0,0|2,0,0]=3 240 B7R1.6 CCNC1CCC1 W19308 [0,0,0,1,0,0|2,0,0]=3 241 B7R1.6 CCNC1COC1 32797 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.6 CCOC1CNC1 C16603 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.6 CNCC1COC1 32854 [0,0,0,1,0,0|3,0,0]=4 244 B7R1.6 CNC[C@H]1CCO1 D96714 [0,0,0,1,0,0|1,0,0]=2 245 B7R1.6 COCC1CNC1 36064 [0,0,0,1,0,0|3,0,0]=4 246 B7R1.6 COCC1CNC1 37073 [0,0,0,1,0,0|3,0,0]=4 247 B7R1.6 COC[C@H]1CCN1 38829 [0,0,0,1,0,0|2,0,0]=3 248 B7R1.6 COC[C@H]1CCN1 P15803 [0,0,0,1,0,0|2,0,0]=3 249 B7R1.6 N#CCC1CCC1 55430 [0,0,0,1,0,0|2,0,1]=4 250 B7R1.6 NCCC1CCC1 P10851 [0,0,0,1,0,0|2,0,0]=3 251 B7R1.6 NCCC1COC1 85783 [0,0,0,1,0,0|3,0,0]=4 252 B7R1.6 NNCC1CCC1 P12716 [0,0,0,1,0,0|3,0,0]=4 253 B7R1.6 O=CCC1CCC1 55432 [0,0,0,1,0,0|2,0,1]=4 254 B7R1.6 OCCC1CCC1 32129 [0,0,0,1,0,0|2,0,0]=3 255 B7R1.6 OCCC1CNC1 P16512 [0,0,0,1,0,0|3,0,0]=4 256 B7R1.6 OCCC1COC1 32759 [0,0,0,1,0,0|3,0,0]=4 257 B7R1.6 OCCN1CCC1 70839 [0,0,0,1,0,0|3,0,0]=4 258 B7R1.6 OCC[C@H]1CCO1 P17680 [0,0,0,1,0,0|1,0,0]=2 259 B7R1.8 CN1CC[C@@H]1CN P15857 [0,0,0,1,0,0|3,0,0]=4 260 B7R1.8 CN1CC[C@@H]1CO 63438 [0,0,0,1,0,0|3,0,0]=4 261 B7R1.8 CN1CC[C@@H]1CO AT17142 [0,0,0,1,0,0|3,0,0]=4 262 B7R1.8 CN1CC[C@@H]1CO P18351 [0,0,0,1,0,0|3,0,0]=4 263 B7R1.8 CO[C@H]1CCC1=O P17941 [0,0,0,1,0,0|1,0,2]=4 264 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,0,0,1,0,0|1,0,2]=4 265 B7R1.9 NCC1CC1CO C14991 [0,0,0,1,0,0|3,0,0]=4 266 B7R1.9 NC[C@H]1C[C@@H]1CN D79389 [0,0,0,1,0,0|3,0,0]=4 267 B7R1.9 OC[C@H]1C[C@H]1CO P16470 [0,0,0,1,0,0|3,0,0]=4 268 B7R1.10 CC1CC(CN)C1 72944 [0,0,0,1,0,0|2,0,0]=3 269 B7R1.10 CN1CC(CN)C1 37075 [0,0,0,1,0,0|3,0,0]=4 270 B7R1.10 CN1CC(CO)C1 P17862 [0,0,0,1,0,0|3,0,0]=4 271 B7R1.10 CNC1CC(C)C1 72947 [0,0,0,1,0,0|2,0,0]=3 272 B7R1.10 CNC1CC(O)C1 37731 [0,0,0,1,0,0|3,0,0]=4 273 B7R1.10 CNC1CN(C)C1 38831 [0,0,0,1,0,0|3,0,0]=4 274 B7R1.10 CN[C@H]1C[C@@H](O)C1 P13897 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.10 CN[C@H]1C[C@H](O)C1 38892 [0,0,0,1,0,0|3,0,0]=4 276 B7R1.10 COC1CC(N)C1 37221 [0,0,0,1,0,0|3,0,0]=4 277 B7R1.10 COC1CC(O)C1 R10063 [0,0,0,1,0,0|3,0,0]=4 278 B7R1.10 CO[C@H]1C[C@@H](N)C1 39167 [0,0,0,1,0,0|3,0,0]=4 279 B7R1.10 CO[C@H]1C[C@H](N)C1 39168 [0,0,0,1,0,0|3,0,0]=4 280 B7R1.10 NCC1CC(F)C1 38649 [0,0,0,1,0,0|3,0,0]=4 281 B7R1.10 NCC1CC(O)C1 37219 [0,0,0,1,0,0|3,0,0]=4 282 B7R1.10 NC[C@H]1C[C@H](O)C1 37659 [0,0,0,1,0,0|3,0,0]=4 283 B7R1.10 N[C@H]1C[C@@H](CO)C1 29808 [0,0,0,1,0,0|3,0,0]=4 284 B7R1.10 N[C@H]1C[C@@H](CO)C1 37494 [0,0,0,1,0,0|3,0,0]=4 285 B7R1.10 N[C@H]1C[C@H](CO)C1 37495 [0,0,0,1,0,0|3,0,0]=4 286 B7R1.10 OCC1CC(F)C1 72453 [0,0,0,1,0,0|3,0,0]=4 287 B7R1.10 OCC1CC(O)C1 N10548 [0,0,0,1,0,0|3,0,0]=4 288 B7R1.10 O[C@H]1C[C@@H](CF)C1 P21066 [0,0,0,1,0,0|3,0,0]=4 289 B7R1.21 CC1(CCO)CC1 P14058 [0,0,0,1,0,0|2,0,0]=3 290 B7R1.21 CCOC1(O)CC1 O10402 [0,0,0,1,0,0|1,0,0]=2 291 B7R1.22 CNC(=O)C1CC1 F14269 [0,0,0,1,0,0|1,0,2]=4 292 B7R1.22 N[C@@H](CO)C1CC1 N11217 [0,0,0,1,0,0|2,0,0]=3 293 B7R1.22 N[C@@H](CO)C1CC1 P18914 [0,0,0,1,0,0|2,0,0]=3 294 B7R1.22 N[C@@H](CO)C1CC1 Y14567 [0,0,0,1,0,0|2,0,0]=3 295 B7R1.22 O=C(CO)C1CC1 E72699 [0,0,0,1,0,0|1,0,2]=4 296 B7R1.25 C#CC1(O)CNC1 P13546 [0,0,0,1,0,0|1,0,2]=4 297 B7R1.25 CC1(CF)CNC1 D79152 [0,0,0,1,0,0|3,0,0]=4 298 B7R1.25 CC1(CN)CNC1 80498 [0,0,0,1,0,0|3,0,0]=4 299 B7R1.25 CC1(CO)CCC1 90942 [0,0,0,1,0,0|2,0,0]=3 300 B7R1.25 CC1(CO)CNC1 73126 [0,0,0,1,0,0|3,0,0]=4 301 B7R1.25 CCC1(C)CNC1 D79218 [0,0,0,1,0,0|2,0,0]=3 302 B7R1.25 CCC1(F)CNC1 D79682 [0,0,0,1,0,0|2,0,0]=3 303 B7R1.25 CCC1(N)COC1 32880 [0,0,0,1,0,0|2,0,0]=3 304 B7R1.25 CCC1(O)COC1 69107 [0,0,0,1,0,0|1,0,0]=2 305 B7R1.25 CNC1(C)COC1 39042 [0,0,0,1,0,0|3,0,0]=4 306 B7R1.25 C[C@]1(CN)CCO1 D79679 [0,0,0,1,0,0|3,0,0]=4 307 B7R1.25 C[C@]1(CN)CCO1 P20357 [0,0,0,1,0,0|3,0,0]=4 308 B7R1.25 C[C@]1(CO)CCN1 P18401 [0,0,0,1,0,0|3,0,0]=4 309 B7R1.25 FC1(CBr)COC1 32850 [0,0,0,1,0,0|3,0,0]=4 310 B7R1.25 N#CC1(N)CCC1 72155 [0,0,0,1,0,0|2,0,1]=4 311 B7R1.25 N#CC1(O)CCC1 F50564 [0,0,0,1,0,0|1,0,1]=3 312 B7R1.25 N#CC1(O)COC1 P20435 [0,0,0,1,0,0|2,0,1]=4 313 B7R1.25 NC1(CF)COC1 P18909 [0,0,0,1,0,0|3,0,0]=4 314 B7R1.25 NC1(CO)CCC1 P11244 [0,0,0,1,0,0|2,0,0]=3 315 B7R1.25 NC1(CO)COC1 32838 [0,0,0,1,0,0|3,0,0]=4 316 B7R1.25 NCC1(F)CCC1 85743 [0,0,0,1,0,0|2,0,0]=3 317 B7R1.25 NCC1(F)COC1 32924 [0,0,0,1,0,0|3,0,0]=4 318 B7R1.25 NCC1(O)CCC1 27372 [0,0,0,1,0,0|1,0,0]=2 319 B7R1.25 NCC1(O)COC1 32889 [0,0,0,1,0,0|2,0,0]=3 320 B7R1.25 OC1(CF)CNC1 P18473 [0,0,0,1,0,0|2,0,0]=3 321 B7R1.25 OCC1(F)CCC1 85746 [0,0,0,1,0,0|2,0,0]=3 322 B7R1.25 OCC1(F)COC1 32840 [0,0,0,1,0,0|3,0,0]=4 323 B7R1.25 OCC1(O)CCC1 AT20135 [0,0,0,1,0,0|1,0,0]=2 324 B7R1.25 OCC1(O)CNC1 P15456 [0,0,0,1,0,0|2,0,0]=3 325 B4R0.1 CC(C)CBr P19652 [2,0,0,0,0,0|2,0,0]=4 326 B4R0.1 CC[C@H](C)N 74047 [2,0,0,0,0,0|1,0,0]=3 327 B4R0.1 C[C@H](Br)CN F11189 [2,0,0,0,0,0|2,0,0]=4 328 B4R0.1 C[C@H](Br)CO W17591 [2,0,0,0,0,0|2,0,0]=4 329 B4R0.1 C[C@H](Cl)CN Y14715 [2,0,0,0,0,0|2,0,0]=4 330 B4R0.1 C[C@H](N)CF AC1136 [2,0,0,0,0,0|2,0,0]=4 331 B4R0.1 C[C@H](N)CF AC6177 [2,0,0,0,0,0|2,0,0]=4 332 B4R0.2 BrCCCBr D77913 [2,0,0,0,0,0|2,0,0]=4 333 B4R0.2 CCCCN T70838 [2,0,0,0,0,0|1,0,0]=3 334 B4R0.2 CCONC AT14498 [2,0,0,0,0,0|2,0,0]=4 335 B4R0.2 COCCI A50601 [2,0,0,0,0,0|2,0,0]=4 336 B4R0.2 CSCCN D73275 [2,0,0,0,0,0|2,0,0]=4 337 B4R0.2 NCCCF 61303 [2,0,0,0,0,0|2,0,0]=4 338 B4R0.2 NCCCN T70045 [2,0,0,0,0,0|2,0,0]=4 339 B4R0.2 NCCCS A11074 [2,0,0,0,0,0|1,1,0]=4 340 B4R0.2 OCCCO D77845 [2,0,0,0,0,0|1,0,0]=3 341 B4R0.2 OCCCS D78398 [2,0,0,0,0,0|1,0,0]=3 342 B4R0.2 SCCCBr 77989 [2,0,0,0,0,0|1,1,0]=4 343 B6R0.2 CC(Br)CC(C)Br T70499 [1,1,0,0,0,0|1,0,0]=3 344 B6R0.2 C[C@H](N)CN(C)C 76720 [1,1,0,0,0,0|2,0,0]=4 345 B6R0.2 C[C@H](O)CC(=O)O C10552 [1,1,0,0,0,0|1,0,1]=4 346 B6R0.2 C[C@H](O)CN(C)C A11394 [1,1,0,0,0,0|1,0,0]=3 347 B6R0.3 CC(C)[C@@H](C)CO D93394 [1,1,0,0,0,0|2,0,0]=4 348 B6R0.3 CC[C@H](C)C(=O)O 88659 [1,1,0,0,0,0|1,0,1]=4 349 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [1,1,0,0,0,0|0,0,0]=2 350 B6R0.4 C=C(C)CCCBr 71968 [1,1,0,0,0,0|1,0,1]=4 351 B6R0.4 CC(=O)CCCBr 25631 [1,1,0,0,0,0|0,0,2]=4 352 B6R0.4 CC(C)CCC=O 31143 [1,1,0,0,0,0|1,0,1]=4 353 B6R0.4 CC(C)OCCBr 33996 [1,1,0,0,0,0|2,0,0]=4 354 B6R0.4 CC(C)OCCN T71353 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.4 CCOCC(=O)O D73862 [1,1,0,0,0,0|1,0,1]=4 356 B6R0.4 CCOC[C@H](C)N 75202 [1,1,0,0,0,0|1,0,0]=3 357 B6R0.4 C[C@H](Cl)CCCCl A11066 [1,1,0,0,0,0|1,0,0]=3 358 B6R0.5 C#CCC(C)(C)O 77946 [1,1,0,0,0,0|0,0,2]=4 359 B6R0.5 CC(C)(C)CCI D86336 [1,1,0,0,0,0|2,0,0]=4 360 B6R0.5 CC(C)(F)CCN W17442 [1,1,0,0,0,0|2,0,0]=4 361 B6R0.5 CC(C)(O)CCN A51232 [1,1,0,0,0,0|1,0,0]=3 362 B6R0.5 CC(C)(O)CON AC7988 [1,1,0,0,0,0|2,0,0]=4 363 B6R0.5 CCCP(=O)(O)O C15829 [1,1,0,0,0,0|2,0,0]=4 364 B6R0.5 CNCC(C)(C)F 85781 [1,1,0,0,0,0|2,0,0]=4 365 B6R0.6 BrCCNCCBr 35649 [1,1,0,0,0,0|2,0,0]=4 366 B6R0.6 C#CCCCCI C74272 [1,1,0,0,0,0|0,0,2]=4 367 B6R0.6 C#CCCCCN 79352 [1,1,0,0,0,0|0,0,2]=4 368 B6R0.6 CC#CCCCO W16152 [1,1,0,0,0,0|0,0,2]=4 369 B6R0.6 CCOCCCBr A11082 [1,1,0,0,0,0|1,0,0]=3 370 B6R0.6 CCOCCON W15834 [1,1,0,0,0,0|2,0,0]=4 371 B6R0.6 CC\C=C/CCI 98107 [1,1,0,0,0,0|0,0,2]=4 372 B6R0.6 CNCCCCBr C74879 [1,1,0,0,0,0|1,0,0]=3 373 B6R0.6 CNCCCCN D80538 [1,1,0,0,0,0|1,0,0]=3 374 B6R0.6 ClCCOCCI 12079 [1,1,0,0,0,0|2,0,0]=4 375 B6R0.6 N#CCCCCBr D77353 [1,1,0,0,0,0|1,0,1]=4 376 B6R0.6 NCCCCCBr 97997 [1,1,0,0,0,0|1,0,0]=3 377 B6R0.6 NCCNCCN D81398 [1,1,0,0,0,0|2,0,0]=4 378 B6R0.6 OCCCCCO D77911 [1,1,0,0,0,0|1,0,0]=3 379 B6R0.6 OCCOCCF AT25497 [1,1,0,0,0,0|2,0,0]=4 380 B6R0.8 CC(O)(CO)CO AC1642 [1,1,0,0,0,0|2,0,0]=4 381 B6R0.9 CCC(C#N)CC AC1599 [1,1,0,0,0,0|1,0,0]=3 382 B6R0.9 CCC(CBr)CBr W17735 [1,1,0,0,0,0|2,0,0]=4 383 B6R0.9 CCN(C#N)CC A12695 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.9 CC[C@@H](CN)CO Y13480 [1,1,0,0,0,0|1,0,0]=3 385 B6R0.9 CO[C@@H](CN)CO P20679 [1,1,0,0,0,0|2,0,0]=4 386 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O C90303 [0,2,0,0,0,0|1,0,1]=4 387 B8R0.2 COC(=O)[C@@H](O)C(C)C N12468 [0,2,0,0,0,0|1,0,1]=4 388 B8R0.5 CCCC(=O)CC(C)=O 79568 [0,2,0,0,0,0|0,0,2]=4 389 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [0,2,0,0,0,0|1,0,0]=3 390 B8R0.5 CCC[C@H](C)CC(C)C F17729 [0,2,0,0,0,0|1,0,0]=3 391 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [0,2,0,0,0,0|1,0,1]=4 392 B8R0.5 CCOC(=O)C[C@H](C)N H10190 [0,2,0,0,0,0|0,0,2]=4 393 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,2,0,0,0,0|1,0,1]=4 394 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,2,0,0,0,0|0,0,1]=3 395 B8R0.19 COC(=O)C[C@H](O)CCl A11858 [0,2,0,0,0,0|1,0,1]=4 396 B8R0.24 CC[C@H](C)OC(C)(C)C A10768 [0,2,0,0,0,0|2,0,0]=4 397 B8R0.1 CCCC(=O)OCCO D81566 [0,2,0,0,0,0|0,0,2]=4 398 B8R0.1 CCCC[C@H](C)CCO D93301 [0,2,0,0,0,0|1,0,0]=3 399 B8R0.1 CCC[C@H](C)CCCO A12859 [0,2,0,0,0,0|1,0,0]=3 400 B8R0.1 CCOC(=O)CCCO C91677 [0,2,0,0,0,0|0,0,2]=4 401 B8R0.1 COCCN(C)CCO F18234 [0,2,0,0,0,0|2,0,0]=4 402 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [0,2,0,0,0,0|0,0,1]=3 403 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [0,2,0,0,0,0|0,0,2]=4 404 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,2,0,0,0,0|1,0,1]=4 405 B8R0.9 CC(C)NC[C@H](O)CO C16156 [0,2,0,0,0,0|1,0,0]=3 406 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [0,2,0,0,0,0|1,0,1]=4 407 B8R0.25 CCCCC(C)(C)CO A12319 [0,2,0,0,0,0|2,0,0]=4 408 B8R0.14 NCC[C@H](O)C(F)(F)F P11360 [0,2,0,0,0,0|2,0,0]=4 409 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [0,2,0,0,0,0|1,0,0]=3 410 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [0,2,0,0,0,0|0,0,0]=2 411 B8R0.20 CC[C@@H](CO)C(=O)OC AB9727 [0,2,0,0,0,0|1,0,1]=4 412 B8R0.31 CCC(O)(CC)COC 73811 [0,2,0,0,0,0|1,0,0]=3 413 B8R0.31 CCC[C@](N)(C#N)CC D84556 [0,2,0,0,0,0|1,0,0]=3 414 B6R1.2 C[C@H]1CCNC1 69327 [1,0,0,1,0,0|2,0,0]=4 415 B6R1.2 C[C@H]1CCSC1 70016 [1,0,0,1,0,0|2,0,0]=4 416 B6R1.2 Cl[C@H]1CCNC1 W15835 [1,0,0,1,0,0|2,0,0]=4 417 B6R1.2 Cl[C@H]1CCOC1 N12419 [1,0,0,1,0,0|2,0,0]=4 418 B6R1.2 F[C@H]1CCNC1 P10396 [1,0,0,1,0,0|2,0,0]=4 419 B6R1.2 F[C@H]1CCNC1 P10397 [1,0,0,1,0,0|2,0,0]=4 420 B6R1.2 I[C@H]1CCOC1 37310 [1,0,0,1,0,0|2,0,0]=4 421 B6R1.2 I[C@H]1CCOC1 37311 [1,0,0,1,0,0|2,0,0]=4 422 B6R1.2 NN1CCCC1 F13227 [1,0,0,1,0,0|2,0,0]=4 423 B6R1.2 NN1CCCC1 S12058 [1,0,0,1,0,0|2,0,0]=4 424 B6R1.2 N[C@H]1CCSC1 70834 [1,0,0,1,0,0|2,0,0]=4 425 B6R1.2 O[C@H]1CCSC1 50208 [1,0,0,1,0,0|1,0,0]=3 426 B6R1.2 O[C@H]1CNOC1 31712 [1,0,0,1,0,0|2,0,0]=4 427 B6R1.3 BrCCC1CC1 32177 [1,0,0,1,0,0|2,0,0]=4 428 B6R1.3 BrCC[C@H]1CO1 F20905 [1,0,0,1,0,0|1,0,0]=3 429 B6R1.3 CNCC1CC1 P11100 [1,0,0,1,0,0|2,0,0]=4 430 B6R1.3 ICCC1CC1 73383 [1,0,0,1,0,0|2,0,0]=4 431 B6R1.5 CC1CC(=O)C1 P12177 [1,0,0,1,0,0|0,0,2]=4 432 B6R1.5 CC1CC(N)C1 72358 [1,0,0,1,0,0|1,0,0]=3 433 B6R1.5 CN1CC(Cl)C1 P18477 [1,0,0,1,0,0|2,0,0]=4 434 B6R1.5 CN1CC(N)C1 37022 [1,0,0,1,0,0|2,0,0]=4 435 B6R1.5 CN1CC(O)C1 37023 [1,0,0,1,0,0|1,0,0]=3 436 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [1,0,0,1,0,0|1,0,1]=4 437 B6R1.5 C[C@H]1C[C@@H](N)C1 P18428 [1,0,0,1,0,0|1,0,0]=3 438 B6R1.5 C[C@H]1C[C@H](N)C1 D79129 [1,0,0,1,0,0|1,0,0]=3 439 B6R1.5 NC1CC(F)C1 80871 [1,0,0,1,0,0|2,0,0]=4 440 B6R1.5 NC1CC(N)C1 38579 [1,0,0,1,0,0|2,0,0]=4 441 B6R1.5 NN1CC(O)C1 P15912 [1,0,0,1,0,0|2,0,0]=4 442 B6R1.5 N[C@H]1C[C@@H](F)C1 P16188 [1,0,0,1,0,0|2,0,0]=4 443 B6R1.5 N[C@H]1C[C@@H](N)C1 38580 [1,0,0,1,0,0|2,0,0]=4 444 B6R1.5 N[C@H]1C[C@H](O)C1 31135 [1,0,0,1,0,0|1,0,0]=3 445 B6R1.5 O=C1CC(O)C1 P12929 [1,0,0,1,0,0|1,0,1]=4 446 B6R1.5 OC1CC(F)C1 80872 [1,0,0,1,0,0|1,0,0]=3 447 B6R1.5 OC1CC(O)C1 P18335 [1,0,0,1,0,0|1,0,0]=3 448 B6R1.5 O[C@H]1C[C@@H](O)C1 P20298 [1,0,0,1,0,0|1,0,0]=3 449 B6R1.5 O[C@H]1C[C@H](F)C1 38850 [1,0,0,1,0,0|1,0,0]=3 450 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [1,0,0,1,0,0|2,0,0]=4 451 B6R1.8 OC[C@H]1C[C@@H]1F CS3459 [1,0,0,1,0,0|2,0,0]=4 452 B6R1.9 CC1(C)C[C@@H]1N 69330 [1,0,0,1,0,0|2,0,0]=4 453 B6R1.10 CC1(F)CNC1 88058 [1,0,0,1,0,0|2,0,0]=4 454 B6R1.10 CC1(N)CCC1 P10590 [1,0,0,1,0,0|1,0,0]=3 455 B6R1.10 CC1(N)CCC1 P10892 [1,0,0,1,0,0|1,0,0]=3 456 B6R1.10 CC1(N)COC1 52948 [1,0,0,1,0,0|2,0,0]=4 457 B6R1.10 CC1(N)CSC1 P16047 [1,0,0,1,0,0|2,0,0]=4 458 B6R1.10 CC1(O)CCC1 83777 [1,0,0,1,0,0|0,0,0]=2 459 B6R1.10 CC1(O)CNC1 54439 [1,0,0,1,0,0|1,0,0]=3 460 B6R1.10 CC1(O)CSC1 P15377 [1,0,0,1,0,0|1,0,0]=3 461 B6R1.11 C[C@H](N)C1CC1 N10509 [1,0,0,1,0,0|1,0,0]=3 462 B6R1.11 C[C@H](N)C1CC1 W12229 [1,0,0,1,0,0|1,0,0]=3 463 B6R1.11 C[C@H](O)C1CC1 C77522 [1,0,0,1,0,0|0,0,0]=2 464 B6R1.11 C[C@H](O)C1CC1 C77523 [1,0,0,1,0,0|0,0,0]=2 465 B6R1.1 C1CCNNC1 71659 [1,0,0,1,0,0|2,0,0]=4 466 B6R1.4 CC1NCC1F P20228 [1,0,0,1,0,0|2,0,0]=4 467 B6R1.4 CC1OCC1O P16543 [1,0,0,1,0,0|2,0,0]=4 468 B6R1.4 C[C@H]1CCC1=O W18267 [1,0,0,1,0,0|1,0,1]=4 469 B6R1.4 C[C@H]1NC[C@@H]1F P20392 [1,0,0,1,0,0|2,0,0]=4 470 B6R1.4 C[C@H]1NC[C@@H]1O D79131 [1,0,0,1,0,0|2,0,0]=4 471 B6R1.4 C[C@H]1NC[C@@H]1O P18430 [1,0,0,1,0,0|2,0,0]=4 472 B6R1.4 NC1CCC1F P20418 [1,0,0,1,0,0|2,0,0]=4 473 B6R1.4 NC1CCC1O 94999 [1,0,0,1,0,0|2,0,0]=4 474 B6R1.4 N[C@@H]1CC[C@@H]1O P18786 [1,0,0,1,0,0|2,0,0]=4 475 B6R1.4 OC1CCC1O D79179 [1,0,0,1,0,0|2,0,0]=4 476 B6R1.4 O[C@H]1CC[C@@H]1O P21043 [1,0,0,1,0,0|2,0,0]=4 477 B6R1.6 BrC[C@H]1CCO1 28585 [1,0,0,1,0,0|2,0,0]=4 478 B6R1.6 BrC[C@H]1CCO1 D97141 [1,0,0,1,0,0|2,0,0]=4 479 B6R1.6 BrC[C@H]1CCO1 P21121 [1,0,0,1,0,0|2,0,0]=4 480 B6R1.6 CNC1CCC1 20929 [1,0,0,1,0,0|1,0,0]=3 481 B6R1.6 CSC1CNC1 37205 [1,0,0,1,0,0|2,0,0]=4 482 B6R1.6 FCC1CNC1 86811 [1,0,0,1,0,0|2,0,0]=4 483 B6R1.6 NCC1CNC1 26899 [1,0,0,1,0,0|2,0,0]=4 484 B6R1.6 NC[C@H]1CCN1 20184 [1,0,0,1,0,0|2,0,0]=4 485 B6R1.6 NC[C@H]1CCO1 P20441 [1,0,0,1,0,0|2,0,0]=4 486 B6R1.6 NNC1CCC1 AB1362 [1,0,0,1,0,0|2,0,0]=4 487 B6R1.6 NNC1CCC1 BL010353 [1,0,0,1,0,0|2,0,0]=4 488 B6R1.6 OCC1CNC1 65945 [1,0,0,1,0,0|2,0,0]=4 489 B6R1.6 OC[C@H]1CCN1 36269 [1,0,0,1,0,0|2,0,0]=4 490 B6R1.6 OC[C@H]1CCN1 38353 [1,0,0,1,0,0|2,0,0]=4 491 B6R1.6 OC[C@H]1CCN1 38354 [1,0,0,1,0,0|2,0,0]=4 492 B6R1.6 OC[C@H]1CCO1 26540 [1,0,0,1,0,0|2,0,0]=4 493 B6R1.6 OC[C@H]1CCO1 AT10832 [1,0,0,1,0,0|2,0,0]=4 494 B6R1.6 OC[C@H]1CCO1 P19736 [1,0,0,1,0,0|2,0,0]=4 495 B6R1.7 CC1(CN)CC1 W10016 [1,0,0,1,0,0|2,0,0]=4 496 B6R1.7 NC1(CF)CC1 72945 [1,0,0,1,0,0|2,0,0]=4 497 B6R1.7 NC1(CO)CC1 32781 [1,0,0,1,0,0|2,0,0]=4 498 B6R1.7 NCC1(O)CC1 AC3228 [1,0,0,1,0,0|1,0,0]=3 499 B6R1.7 OCC1(F)CC1 72692 [1,0,0,1,0,0|2,0,0]=4 500 B6R1.7 OCC1(O)CC1 72268 [1,0,0,1,0,0|1,0,0]=3 501 B8R1.1 CCN1CC[C@H](N)C1 P15254 [0,1,0,1,0,0|1,0,0]=3 502 B8R1.1 CCN1CC[C@H](N)C1 P15821 [0,1,0,1,0,0|1,0,0]=3 503 B8R1.1 CN1CC[C@H](CN)C1 P13795 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.1 CN1CC[C@H](CN)C1 P13796 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.1 CN1CC[C@H](CO)C1 22985 [0,1,0,1,0,0|1,0,0]=3 506 B8R1.1 CN1CC[C@H](CO)C1 37309 [0,1,0,1,0,0|1,0,0]=3 507 B8R1.1 CN[C@H]1CCN(C)C1 P12573 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.1 COC1CCC(N)C1 33463 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.1 COC1CCC(O)C1 P19125 [0,1,0,1,0,0|0,0,0]=2 510 B8R1.1 CO[C@H]1CC[C@@H](N)C1 P19923 [0,1,0,1,0,0|1,0,0]=3 511 B8R1.1 CO[C@H]1CC[C@H](N)C1 P17830 [0,1,0,1,0,0|1,0,0]=3 512 B8R1.1 C[C@@H]1CC[C@H](CO)O1 73085 [0,1,0,1,0,0|1,0,0]=3 513 B8R1.1 N#CC1CCC(O)C1 W19383 [0,1,0,1,0,0|0,0,1]=3 514 B8R1.1 N#C[C@@H]1CC[C@H](O)C1 73072 [0,1,0,1,0,0|0,0,1]=3 515 B8R1.1 N#C[C@H]1CC[C@H](O)C1 73073 [0,1,0,1,0,0|0,0,1]=3 516 B8R1.1 NCC1CCC(F)C1 72980 [0,1,0,1,0,0|1,0,0]=3 517 B8R1.1 NCC1CCC(O)C1 72949 [0,1,0,1,0,0|0,0,0]=2 518 B8R1.1 NC[C@H]1CC[C@H](F)C1 72985 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.1 N[C@@H]1CN[C@@H](CO)C1 91826 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,1,0,1,0,0|1,0,1]=4 521 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,1,0,1,0,0|0,0,2]=4 522 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,1,0,1,0,0|1,0,1]=4 523 B8R1.1 OC[C@@H]1C[C@H](F)CN1 D79544 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.1 OC[C@@H]1C[C@H](O)CN1 S10025 [0,1,0,1,0,0|1,0,0]=3 525 B8R1.4 CC1CC(N)CCO1 D78849 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.4 CC1CC(N)CCO1 P16002 [0,1,0,1,0,0|1,0,0]=3 527 B8R1.4 CC1CC(O)CCN1 33466 [0,1,0,1,0,0|0,0,0]=2 528 B8R1.4 CC1CC(O)CCN1 P17258 [0,1,0,1,0,0|0,0,0]=2 529 B8R1.4 CC1CNCC(C)O1 F18860 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.4 CC1CNCC(O)C1 AC5056 [0,1,0,1,0,0|0,0,0]=2 531 B8R1.4 CC1COCC(C)N1 P10582 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.4 CN1CCCC(=O)C1 S10664 [0,1,0,1,0,0|0,0,2]=4 533 B8R1.4 CN1CCC[C@H](N)C1 37174 [0,1,0,1,0,0|1,0,0]=3 534 B8R1.4 CN1CCC[C@H](N)C1 37175 [0,1,0,1,0,0|1,0,0]=3 535 B8R1.4 CN1CCC[C@H](N)C1 F13528 [0,1,0,1,0,0|1,0,0]=3 536 B8R1.4 CN1CCC[C@H](N)C1 P12011 [0,1,0,1,0,0|1,0,0]=3 537 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.4 C[C@@H]1CNC[C@H](C)C1 F12546 [0,1,0,1,0,0|1,0,0]=3 539 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,1,0,1,0,0|0,0,2]=4 540 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,1,0,1,0,0|0,0,2]=4 541 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,1,0,1,0,0|0,0,2]=4 542 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,1,0,1,0,0|0,0,2]=4 543 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,1,0,1,0,0|0,0,2]=4 544 B8R1.4 C[C@H]1CN(C)CCN1 32818 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.4 C[C@H]1CN(C)CCN1 F12507 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.4 C[C@H]1CN(C)CCN1 F12510 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.4 C[C@H]1CN(C)CCN1 P15101 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.4 C[C@H]1CN(C)CCN1 P18658 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.4 C[C@H]1CNC[C@H](C)N1 39071 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.4 C[C@H]1CNC[C@H](C)N1 98320 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.4 C[C@H]1CNC[C@H](C)O1 38409 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.4 C[C@H]1CNC[C@H](C)O1 70211 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.4 C[C@H]1COC[C@@H](C)N1 38385 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.4 C[C@H]1COC[C@H](C)N1 77576 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.4 C[C@H]1COC[C@H](C)N1 S10555 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.4 C[C@H]1COC[C@H](C)N1 S12093 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.4 NC1COCC(O)C1 91463 [0,1,0,1,0,0|1,0,0]=3 558 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10768 [0,1,0,1,0,0|0,0,0]=2 559 B8R1.4 N[C@@H]1CCC[C@H](O)C1 C14447 [0,1,0,1,0,0|0,0,0]=2 560 B8R1.4 N[C@@H]1CCC[C@H](O)C1 F11498 [0,1,0,1,0,0|0,0,0]=2 561 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,1,0,1,0,0|0,0,2]=4 562 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P15640 [0,1,0,1,0,0|1,0,0]=3 563 B8R1.4 N[C@H]1CCC[C@H](F)C1 72992 [0,1,0,1,0,0|1,0,0]=3 564 B8R1.4 N[C@H]1CCC[C@H](N)C1 T70693 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.4 N[C@H]1CCC[C@H](O)C1 P15600 [0,1,0,1,0,0|0,0,0]=2 566 B8R1.4 N[C@H]1CCC[C@H](O)C1 P17839 [0,1,0,1,0,0|0,0,0]=2 567 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,1,0,1,0,0|1,0,1]=4 568 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,1,0,1,0,0|1,0,1]=4 569 B8R1.4 O[C@H]1CCC[C@@H](O)C1 T71365 [0,1,0,1,0,0|0,0,0]=2 570 B8R1.4 O[C@H]1CCC[C@H](O)C1 T71051 [0,1,0,1,0,0|0,0,0]=2 571 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [0,1,0,1,0,0|1,0,1]=4 572 B8R1.34 CC(=O)CC1CCC1 D79207 [0,1,0,1,0,0|1,0,1]=4 573 B8R1.42 CC(C)CC1(N)CC1 F14584 [0,1,0,1,0,0|1,0,0]=3 574 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,1,0,1,0,0|0,0,2]=4 575 B8R1.51 CC1(C)CC[C@H](N)C1 P16857 [0,1,0,1,0,0|1,0,0]=3 576 B8R1.51 N[C@H]1CCC(F)(F)C1 80165 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.51 O=S1(=O)CC[C@H](O)C1 F14685 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.53 CC1(C)CC(CBr)C1 P12135 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.53 CC1(C)CC(CO)C1 P12134 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.62 NC1(CO)CC(F)C1 P15050 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.2 BrC[C@H]1CCCOC1 38662 [0,1,0,1,0,0|1,0,0]=3 583 B8R1.2 C#CC1CCNCC1 P12507 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.2 C#CC1CCOCC1 37550 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.2 C#C[C@@H]1CCCCN1 CS2055 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.2 C#C[C@H]1CCCNC1 P11150 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.2 C#C[C@H]1CCCNC1 P11485 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.2 CCC1CCNCC1 W10090 [0,1,0,1,0,0|1,0,0]=3 589 B8R1.2 CC[C@H]1CCCCN1 Y10457 [0,1,0,1,0,0|1,0,0]=3 590 B8R1.2 CC[C@H]1CNCCN1 28366 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.2 CC[C@H]1CNCCN1 I11833 [0,1,0,1,0,0|1,0,0]=3 592 B8R1.2 CC[C@H]1COCCN1 F17630 [0,1,0,1,0,0|1,0,0]=3 593 B8R1.2 CC[C@H]1COCCN1 FD6008 [0,1,0,1,0,0|1,0,0]=3 594 B8R1.2 CNC1CCNCC1 Y10435 [0,1,0,1,0,0|2,0,0]=4 595 B8R1.2 CNC1CCSCC1 D93432 [0,1,0,1,0,0|2,0,0]=4 596 B8R1.2 COC1=NCCCC1 D87703 [0,1,0,1,0,0|1,0,1]=4 597 B8R1.2 ClCC1CCNCC1 P17439 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.2 ClCC1CCOCC1 C77585 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.2 ClC[C@H]1CCCCN1 87776 [0,1,0,1,0,0|2,0,0]=4 600 B8R1.2 FCC1CCNCC1 F10330 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.2 FC[C@H]1CCCNC1 24250 [0,1,0,1,0,0|2,0,0]=4 602 B8R1.2 ICC1CCCCC1 AC1131 [0,1,0,1,0,0|1,0,0]=3 603 B8R1.2 IC[C@H]1CCCCO1 P19885 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.2 IC[C@H]1CCCOC1 P20725 [0,1,0,1,0,0|1,0,0]=3 605 B8R1.2 N#CC1CCSCC1 29706 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.2 N#CN1CCCCC1 A12086 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.2 N#C[C@@H]1CCCCN1 CS1001 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.2 N#C[C@@H]1CCCCN1 P16178 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.2 N#C[C@@H]1CCCCN1 P17459 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.2 N#C[C@@H]1CCCCN1 P17460 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.2 N#C[C@@H]1CCCCO1 W16123 [0,1,0,1,0,0|1,0,1]=4 612 B8R1.2 N#C[C@@H]1CNCCO1 90459 [0,1,0,1,0,0|1,0,1]=4 613 B8R1.2 N#C[C@@H]1CNCCO1 F18970 [0,1,0,1,0,0|1,0,1]=4 614 B8R1.2 N#C[C@@H]1CNCCO1 F18991 [0,1,0,1,0,0|1,0,1]=4 615 B8R1.2 N#C[C@H]1CCCNC1 81492 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.2 N#C[C@H]1CCCNC1 81537 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.2 N#C[C@H]1CCCNC1 P11046 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.2 N#C[C@H]1CCCNC1 P18961 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.2 NCC1CCSCC1 P11855 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.2 NCC1CCSCC1 P17457 [0,1,0,1,0,0|2,0,0]=4 621 B8R1.2 NC[C@H]1CCCOC1 SC1491 [0,1,0,1,0,0|1,0,0]=3 622 B8R1.2 NC[C@H]1COCCO1 39092 [0,1,0,1,0,0|1,0,0]=3 623 B8R1.2 NC[C@H]1COCCO1 39093 [0,1,0,1,0,0|1,0,0]=3 624 B8R1.2 NNC1CCNCC1 BL010349 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.2 NNC1CCOCC1 F51905 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.2 NNC1CCSCC1 BL010348 [0,1,0,1,0,0|2,0,0]=4 627 B8R1.2 NN[C@H]1CCCOC1 P17922 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.2 O=CN1CCCCC1 D77795 [0,1,0,1,0,0|1,0,1]=4 629 B8R1.2 O=C[C@@H]1CCCCN1 62054 [0,1,0,1,0,0|1,0,1]=4 630 B8R1.2 O=C[C@@H]1CCCCO1 79885 [0,1,0,1,0,0|1,0,1]=4 631 B8R1.2 O=C[C@@H]1COCCO1 D78647 [0,1,0,1,0,0|1,0,1]=4 632 B8R1.2 O=C[C@H]1CCCOC1 79874 [0,1,0,1,0,0|1,0,1]=4 633 B8R1.2 OC[C@H]1CCCNC1 36372 [0,1,0,1,0,0|1,0,0]=3 634 B8R1.2 OC[C@H]1CCCNC1 F14592 [0,1,0,1,0,0|1,0,0]=3 635 B8R1.2 OC[C@H]1CCCNC1 H10949 [0,1,0,1,0,0|1,0,0]=3 636 B8R1.2 OC[C@H]1CCCOC1 38674 [0,1,0,1,0,0|1,0,0]=3 637 B8R1.2 OC[C@H]1CNCCN1 C14871 [0,1,0,1,0,0|2,0,0]=4 638 B8R1.2 OC[C@H]1CNCCN1 I11571 [0,1,0,1,0,0|2,0,0]=4 639 B8R1.2 OC[C@H]1CNCCO1 25692 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.2 OC[C@H]1CNCCO1 SC3851 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.2 OC[C@H]1COCCN1 25689 [0,1,0,1,0,0|2,0,0]=4 642 B8R1.2 OC[C@H]1COCCN1 26203 [0,1,0,1,0,0|2,0,0]=4 643 B8R1.2 OC[C@H]1COCCN1 P15853 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.2 OC[C@H]1COCCO1 Y10090 [0,1,0,1,0,0|1,0,0]=3 645 B8R1.2 OC[C@H]1COCCO1 Y10091 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.2 [C-]#[N+]C1CCOCC1 AC9405 [0,1,0,1,0,0|2,0,0]=4 647 B8R1.3 CC1CCC(O)CC1 D73186 [0,1,0,1,0,0|0,0,0]=2 648 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,1,0,1,0,0|0,0,2]=4 649 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,1,0,1,0,0|0,0,0]=2 650 B8R1.3 C[C@H]1CN[C@@H](C)CN1 38272 [0,1,0,1,0,0|2,0,0]=4 651 B8R1.3 C[C@H]1CN[C@@H](C)CN1 W12505 [0,1,0,1,0,0|2,0,0]=4 652 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.3 Cl[C@H]1CC[C@H](Cl)CC1 T70403 [0,1,0,1,0,0|1,0,0]=3 654 B8R1.3 NC1CCC(Br)CC1 FD10595 [0,1,0,1,0,0|1,0,0]=3 655 B8R1.3 N[C@H]1CC[C@@H](F)CC1 72603 [0,1,0,1,0,0|1,0,0]=3 656 B8R1.3 N[C@H]1CC[C@@H](N)CC1 T70349 [0,1,0,1,0,0|1,0,0]=3 657 B8R1.3 O=C1CCC(F)CC1 23163 [0,1,0,1,0,0|0,0,2]=4 658 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,1,0,1,0,0|1,0,1]=4 659 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,1,0,1,0,0|1,0,1]=4 660 B8R1.3 OC1CCC(F)CC1 P13200 [0,1,0,1,0,0|0,0,0]=2 661 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,1,0,1,0,0|0,0,1]=3 662 B8R1.5 CC1CCNCC1O 38882 [0,1,0,1,0,0|0,0,0]=2 663 B8R1.5 CC1CNCCC1O 20765 [0,1,0,1,0,0|0,0,0]=2 664 B8R1.5 CC1CNCCC1O 33365 [0,1,0,1,0,0|0,0,0]=2 665 B8R1.5 CC1COCCC1N 33469 [0,1,0,1,0,0|1,0,0]=3 666 B8R1.5 CC1NCCOC1C F12405 [0,1,0,1,0,0|2,0,0]=4 667 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [0,1,0,1,0,0|1,0,0]=3 668 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [0,1,0,1,0,0|1,0,0]=3 669 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [0,1,0,1,0,0|1,0,0]=3 670 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,1,0,1,0,0|0,0,2]=4 671 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [0,1,0,1,0,0|1,0,0]=3 672 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,1,0,1,0,0|0,0,2]=4 673 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [0,1,0,1,0,0|0,0,0]=2 674 B8R1.5 C[C@H]1CNCCN1C 37822 [0,1,0,1,0,0|2,0,0]=4 675 B8R1.5 C[C@H]1CNCCN1C P11245 [0,1,0,1,0,0|2,0,0]=4 676 B8R1.5 C[C@H]1CNCCN1C Y10614 [0,1,0,1,0,0|2,0,0]=4 677 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [0,1,0,1,0,0|0,0,0]=2 678 B8R1.5 C[C@H]1COCCC1=O 27832 [0,1,0,1,0,0|0,0,2]=4 679 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [0,1,0,1,0,0|1,0,0]=3 680 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,1,0,1,0,0|0,0,2]=4 681 B8R1.5 NC1CCOCC1O P16839 [0,1,0,1,0,0|1,0,0]=3 682 B8R1.5 N[C@@H]1CCOC[C@@H]1F P14573 [0,1,0,1,0,0|2,0,0]=4 683 B8R1.5 N[C@@H]1CCOC[C@@H]1O P14531 [0,1,0,1,0,0|1,0,0]=3 684 B8R1.5 N[C@@H]1CCOC[C@@H]1O P19745 [0,1,0,1,0,0|1,0,0]=3 685 B8R1.5 N[C@@H]1COCC[C@@H]1O P16186 [0,1,0,1,0,0|1,0,0]=3 686 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,1,0,1,0,0|0,0,2]=4 687 B8R1.5 N[C@H]1CCCC[C@@H]1F 72976 [0,1,0,1,0,0|1,0,0]=3 688 B8R1.5 N[C@H]1CCCC[C@@H]1F D79011 [0,1,0,1,0,0|1,0,0]=3 689 B8R1.5 N[C@H]1CCCC[C@@H]1F P18297 [0,1,0,1,0,0|1,0,0]=3 690 B8R1.5 N[C@H]1CCCC[C@@H]1N 47900 [0,1,0,1,0,0|1,0,0]=3 691 B8R1.5 N[C@H]1CCCC[C@H]1N A11421 [0,1,0,1,0,0|1,0,0]=3 692 B8R1.5 N[C@H]1CCOC[C@@H]1F P14548 [0,1,0,1,0,0|2,0,0]=4 693 B8R1.5 N[C@H]1CCOC[C@@H]1F P14593 [0,1,0,1,0,0|2,0,0]=4 694 B8R1.5 N[C@H]1CCOC[C@@H]1O 38664 [0,1,0,1,0,0|1,0,0]=3 695 B8R1.5 N[C@H]1CCOC[C@@H]1O 39432 [0,1,0,1,0,0|1,0,0]=3 696 B8R1.5 N[C@H]1CCOC[C@@H]1O 39433 [0,1,0,1,0,0|1,0,0]=3 697 B8R1.5 N[C@H]1COCC[C@@H]1F P21120 [0,1,0,1,0,0|2,0,0]=4 698 B8R1.5 N[C@H]1COCC[C@@H]1O P14664 [0,1,0,1,0,0|1,0,0]=3 699 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,1,0,1,0,0|1,0,1]=4 700 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,1,0,1,0,0|1,0,1]=4 701 B8R1.5 OC1CCOCC1F P14713 [0,1,0,1,0,0|1,0,0]=3 702 B8R1.5 O[C@@H]1CCNC[C@@H]1F 37699 [0,1,0,1,0,0|1,0,0]=3 703 B8R1.5 O[C@@H]1CCNC[C@@H]1F 39257 [0,1,0,1,0,0|1,0,0]=3 704 B8R1.5 O[C@@H]1CCNC[C@@H]1F P15698 [0,1,0,1,0,0|1,0,0]=3 705 B8R1.5 O[C@H]1CCCC[C@@H]1O C14127 [0,1,0,1,0,0|0,0,0]=2 706 B8R1.5 O[C@H]1CCNC[C@@H]1F 37698 [0,1,0,1,0,0|1,0,0]=3 707 B8R1.5 O[C@H]1CCNC[C@@H]1F P13776 [0,1,0,1,0,0|1,0,0]=3 708 B8R1.5 O[C@H]1CCNC[C@@H]1O P10847 [0,1,0,1,0,0|1,0,0]=3 709 B8R1.5 O[C@H]1CCNC[C@@H]1O P17759 [0,1,0,1,0,0|1,0,0]=3 710 B8R1.5 O[C@H]1CNCC[C@@H]1F P14517 [0,1,0,1,0,0|1,0,0]=3 711 B8R1.5 O[C@H]1CNCC[C@H]1O P15637 [0,1,0,1,0,0|1,0,0]=3 712 B8R1.5 O[C@H]1CSSC[C@@H]1O D82089 [0,1,0,1,0,0|2,0,0]=4 713 B8R1.10 CCOCC1CNC1 D84845 [0,1,0,1,0,0|2,0,0]=4 714 B8R1.10 OCCCC1COC1 89590 [0,1,0,1,0,0|2,0,0]=4 715 B8R1.10 OCCCN1CCC1 70850 [0,1,0,1,0,0|2,0,0]=4 716 B8R1.22 BrC1CCCCCC1 F53566 [0,1,0,1,0,0|1,0,0]=3 717 B8R1.22 CC1CNCCNC1 70848 [0,1,0,1,0,0|2,0,0]=4 718 B8R1.22 C[C@H]1CCCCCN1 D79537 [0,1,0,1,0,0|1,0,0]=3 719 B8R1.22 C[C@H]1CCCCCN1 D79538 [0,1,0,1,0,0|1,0,0]=3 720 B8R1.22 C[C@H]1CCCCCN1 W10101 [0,1,0,1,0,0|1,0,0]=3 721 B8R1.22 C[C@H]1CCCCNC1 72971 [0,1,0,1,0,0|1,0,0]=3 722 B8R1.22 C[C@H]1CCNCCN1 70847 [0,1,0,1,0,0|2,0,0]=4 723 B8R1.22 C[C@H]1CNCCCO1 72856 [0,1,0,1,0,0|2,0,0]=4 724 B8R1.22 C[C@H]1CNCCOC1 73160 [0,1,0,1,0,0|2,0,0]=4 725 B8R1.22 NC1=NCCCCC1 D85903 [0,1,0,1,0,0|1,0,1]=4 726 B8R1.22 N[C@H]1CCCNCC1 36658 [0,1,0,1,0,0|1,0,0]=3 727 B8R1.22 N[C@H]1CNCCOC1 P20272 [0,1,0,1,0,0|2,0,0]=4 728 B8R1.22 O=C1CCCCCN1 D94502 [0,1,0,1,0,0|0,0,2]=4 729 B8R1.22 O=C1CCCCNC1 50109 [0,1,0,1,0,0|0,0,2]=4 730 B8R1.22 O=C1CCCOCC1 P12770 [0,1,0,1,0,0|0,0,2]=4 731 B8R1.22 OC1CNCCNC1 77717 [0,1,0,1,0,0|1,0,0]=3 732 B8R1.38 CCC(=O)C1COC1 D79147 [0,1,0,1,0,0|0,0,2]=4 733 B8R1.38 CC[C@H](O)C1COC1 P20426 [0,1,0,1,0,0|0,0,0]=2 734 B8R1.38 CO[C@@H](C)C1CNC1 F20233 [0,1,0,1,0,0|2,0,0]=4 735 B8R1.47 CCN1CC(CN)C1 P13012 [0,1,0,1,0,0|2,0,0]=4 736 B8R1.47 COC1CC(CN)C1 P19107 [0,1,0,1,0,0|2,0,0]=4 737 B8R1.47 COC1CC(CO)C1 P20964 [0,1,0,1,0,0|2,0,0]=4 738 B8R1.47 CO[C@H]1C[C@@H](CN)C1 P17262 [0,1,0,1,0,0|2,0,0]=4 739 B8R1.47 CO[C@H]1C[C@H](CN)C1 P17705 [0,1,0,1,0,0|2,0,0]=4 740 B8R1.47 NCC1CC(CO)C1 P14791 [0,1,0,1,0,0|2,0,0]=4 741 B8R1.47 OCC1CC(CO)C1 P19528 [0,1,0,1,0,0|2,0,0]=4 742 B8R1.47 OC[C@@H]1C[C@H](CO)N1 P20757 [0,1,0,1,0,0|2,0,0]=4 743 B8R1.50 OC1OC[C@@H](O)[C@@H]1O T73097 [0,1,0,1,0,0|2,0,0]=4 744 B8R1.52 C#C[C@]1(O)CCOC1 P12903 [0,1,0,1,0,0|0,0,2]=4 745 B8R1.52 CC1(CN)CCCC1 72592 [0,1,0,1,0,0|2,0,0]=4 746 B8R1.52 CC1(CO)CCCC1 90940 [0,1,0,1,0,0|2,0,0]=4 747 B8R1.52 C[C@]1(CN)CCCO1 P18524 [0,1,0,1,0,0|1,0,0]=3 748 B8R1.52 C[C@]1(CN)CCNC1 38021 [0,1,0,1,0,0|2,0,0]=4 749 B8R1.52 C[C@]1(CN)CCOC1 38929 [0,1,0,1,0,0|2,0,0]=4 750 B8R1.52 C[C@]1(CO)CCCN1 38943 [0,1,0,1,0,0|2,0,0]=4 751 B8R1.52 C[C@]1(CO)CCNC1 73010 [0,1,0,1,0,0|2,0,0]=4 752 B8R1.52 C[C@]1(CO)CCOC1 P13013 [0,1,0,1,0,0|2,0,0]=4 753 B8R1.52 NCC1(O)CCCC1 37961 [0,1,0,1,0,0|1,0,0]=3 754 B8R1.52 N[C@@]1(CO)CCOC1 P12315 [0,1,0,1,0,0|2,0,0]=4 755 B8R1.52 OC[C@]1(F)CCNC1 73170 [0,1,0,1,0,0|2,0,0]=4 756 B8R1.52 OC[C@]1(O)CCNC1 P16014 [0,1,0,1,0,0|1,0,0]=3 757 B8R1.52 O[C@@]1(CF)CCNC1 37759 [0,1,0,1,0,0|1,0,0]=3 758 B8R1.7 CC(C)C1=NCCO1 T71548 [0,1,0,1,0,0|1,0,1]=4 759 B8R1.7 CC(C)[C@@H]1CCCN1 P15226 [0,1,0,1,0,0|1,0,0]=3 760 B8R1.7 CC(C)[C@@H]1CCCN1 P15234 [0,1,0,1,0,0|1,0,0]=3 761 B8R1.7 CC(C)[C@H]1CCNC1 P15823 [0,1,0,1,0,0|2,0,0]=4 762 B8R1.7 CC(C)[C@H]1CCNC1 P17781 [0,1,0,1,0,0|2,0,0]=4 763 B8R1.7 C[C@H](N)C1CCCC1 66137 [0,1,0,1,0,0|1,0,0]=3 764 B8R1.7 C[C@H](N)C1CCCC1 83604 [0,1,0,1,0,0|1,0,0]=3 765 B8R1.7 N=C(N)[C@@H]1CCCO1 C75904 [0,1,0,1,0,0|1,0,1]=4 766 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [0,1,0,1,0,0|1,0,1]=4 767 B8R1.19 CC1(C)CCC[C@@H]1O D79630 [0,1,0,1,0,0|0,0,0]=2 768 B8R1.19 CC1(C)CCC[C@@H]1O D79631 [0,1,0,1,0,0|0,0,0]=2 769 B8R1.19 C[C@@H]1COC[C@]1(C)O 73229 [0,1,0,1,0,0|1,0,0]=3 770 B8R1.19 C[C@]1(O)CCC[C@@H]1N D79341 [0,1,0,1,0,0|1,0,0]=3 771 B8R1.19 N[C@H]1CCCC1(F)F W10037 [0,1,0,1,0,0|2,0,0]=4 772 B8R1.19 O[C@H]1CNCC1(F)F P14305 [0,1,0,1,0,0|2,0,0]=4 773 B8R1.19 O[C@H]1COCC1(F)F D97022 [0,1,0,1,0,0|2,0,0]=4 774 B8R1.24 CC1(C)C(N)CC1O P14117 [0,1,0,1,0,0|1,0,0]=3 775 B8R1.24 CC1(C)C(N)CC1O W11253 [0,1,0,1,0,0|1,0,0]=3 776 B8R1.27 CNC[C@H]1CC1(C)C F20110 [0,1,0,1,0,0|2,0,0]=4 777 B8R1.37 CCCC(=O)C1CC1 P18081 [0,1,0,1,0,0|0,0,2]=4 778 B8R1.37 COC[C@H](N)C1CC1 D87133 [0,1,0,1,0,0|1,0,0]=3 779 B8R1.54 C[C@H](Br)C(=O)C1CC1 P15980 [0,1,0,1,0,0|0,0,2]=4 780 B8R1.78 CC(C)C1(O)CNC1 P16016 [0,1,0,1,0,0|1,0,0]=3 781 B8R1.78 CC(C)C1(O)COC1 69108 [0,1,0,1,0,0|1,0,0]=3 782 B8R1.78 CC(N)C1(C)COC1 P17278 [0,1,0,1,0,0|2,0,0]=4 783 B8R1.78 O=C(O)C1(O)CCC1 F50565 [0,1,0,1,0,0|1,0,1]=4 784 B8R1.6 CCCC1CC(=O)C1 D96728 [0,1,0,1,0,0|1,0,1]=4 785 B8R1.6 CCNC1CN(C)C1 38279 [0,1,0,1,0,0|2,0,0]=4 786 B8R1.6 CCOC1CC(N)C1 P13631 [0,1,0,1,0,0|2,0,0]=4 787 B8R1.6 CCO[C@H]1C[C@@H](N)C1 P13633 [0,1,0,1,0,0|2,0,0]=4 788 B8R1.6 CN1CC(CCN)C1 33440 [0,1,0,1,0,0|2,0,0]=4 789 B8R1.6 CN1CC(CCO)C1 37197 [0,1,0,1,0,0|2,0,0]=4 790 B8R1.6 COCC1CC(N)C1 P11795 [0,1,0,1,0,0|2,0,0]=4 791 B8R1.6 COCC1CC(N)C1 P18332 [0,1,0,1,0,0|2,0,0]=4 792 B8R1.6 COC[C@H]1C[C@H](N)C1 D79066 [0,1,0,1,0,0|2,0,0]=4 793 B8R1.8 BrCCC1CCCC1 C78009 [0,1,0,1,0,0|1,0,0]=3 794 B8R1.8 C=CC[C@H]1CCCN1 N16954 [0,1,0,1,0,0|1,0,1]=4 795 B8R1.8 CCN[C@H]1CCNC1 T72394 [0,1,0,1,0,0|2,0,0]=4 796 B8R1.8 CCN[C@H]1CCOC1 F14260 [0,1,0,1,0,0|1,0,0]=3 797 B8R1.8 CCO[C@H]1CCNC1 P10149 [0,1,0,1,0,0|2,0,0]=4 798 B8R1.8 CNC[C@H]1CCCN1 P18036 [0,1,0,1,0,0|1,0,0]=3 799 B8R1.8 COC[C@H]1CCCN1 11152 [0,1,0,1,0,0|1,0,0]=3 800 B8R1.8 COC[C@H]1CCCN1 11153 [0,1,0,1,0,0|1,0,0]=3 801 B8R1.8 COC[C@H]1CCCN1 71289 [0,1,0,1,0,0|1,0,0]=3 802 B8R1.8 COC[C@H]1CCNC1 72010 [0,1,0,1,0,0|2,0,0]=4 803 B8R1.8 COC[C@H]1CCNC1 P10622 [0,1,0,1,0,0|2,0,0]=4 804 B8R1.8 COC[C@H]1CCNC1 P12588 [0,1,0,1,0,0|2,0,0]=4 805 B8R1.8 COC[C@H]1CCNC1 P15249 [0,1,0,1,0,0|2,0,0]=4 806 B8R1.8 COC[C@H]1CCNC1 P15255 [0,1,0,1,0,0|2,0,0]=4 807 B8R1.8 ClCCC1CCCC1 AC1057 [0,1,0,1,0,0|1,0,0]=3 808 B8R1.8 NCCC1OCCO1 T71082 [0,1,0,1,0,0|1,0,0]=3 809 B8R1.8 NNCC1CCCC1 P11240 [0,1,0,1,0,0|2,0,0]=4 810 B8R1.8 O=CCC1CCCC1 F11683 [0,1,0,1,0,0|1,0,1]=4 811 B8R1.8 OCCC1OCCO1 W16263 [0,1,0,1,0,0|1,0,0]=3 812 B8R1.8 OCC[C@H]1CCCN1 50275 [0,1,0,1,0,0|1,0,0]=3 813 B8R1.8 OCC[C@H]1CCCN1 62964 [0,1,0,1,0,0|1,0,0]=3 814 B8R1.11 C#CC1CCCC1O 30575 [0,1,0,1,0,0|0,0,1]=3 815 B8R1.11 CN1CCC[C@@H]1CBr N13118 [0,1,0,1,0,0|2,0,0]=4 816 B8R1.11 CN1CCC[C@@H]1CCl D83790 [0,1,0,1,0,0|2,0,0]=4 817 B8R1.11 CN1CCC[C@@H]1CN 39178 [0,1,0,1,0,0|2,0,0]=4 818 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [0,1,0,1,0,0|0,0,0]=2 819 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [0,1,0,1,0,0|0,0,0]=2 820 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [0,1,0,1,0,0|0,0,0]=2 821 B8R1.11 CO[C@H]1CNC[C@@H]1F 38828 [0,1,0,1,0,0|2,0,0]=4 822 B8R1.11 CO[C@H]1CNC[C@@H]1O 38826 [0,1,0,1,0,0|1,0,0]=3 823 B8R1.11 CO[C@H]1CNC[C@@H]1O P14110 [0,1,0,1,0,0|1,0,0]=3 824 B8R1.11 CO[C@H]1CNC[C@H]1O P17936 [0,1,0,1,0,0|1,0,0]=3 825 B8R1.11 C[C@H]1CNC[C@@H]1CO C77269 [0,1,0,1,0,0|1,0,0]=3 826 B8R1.11 NCC1CCCC1N F20645 [0,1,0,1,0,0|1,0,0]=3 827 B8R1.11 NC[C@@H]1COC[C@@H]1O P14613 [0,1,0,1,0,0|1,0,0]=3 828 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,1,0,1,0,0|0,0,2]=4 829 B8R1.11 NC[C@H]1COC[C@@H]1O P14625 [0,1,0,1,0,0|1,0,0]=3 830 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,1,0,1,0,0|0,0,2]=4 831 B8R1.11 OCC1CNCC1O 73097 [0,1,0,1,0,0|1,0,0]=3 832 B8R1.66 C#CCC1(O)COC1 P16550 [0,1,0,1,0,0|0,0,2]=4 833 B8R1.66 CNCC1(F)COC1 39040 [0,1,0,1,0,0|2,0,0]=4 834 B8R1.66 COCC1(F)CNC1 P13543 [0,1,0,1,0,0|2,0,0]=4 835 B8R1.66 COCC1(N)CCC1 C77610 [0,1,0,1,0,0|1,0,0]=3 836 B8R1.66 COCC1(N)COC1 P18910 [0,1,0,1,0,0|2,0,0]=4 837 B8R1.66 N#CCC1(N)CCC1 F51977 [0,1,0,1,0,0|1,0,1]=4 838 B8R1.66 N#CCC1(O)CCC1 AC3670 [0,1,0,1,0,0|0,0,1]=3 839 B8R1.66 NC1(CCO)CCC1 F51938 [0,1,0,1,0,0|1,0,0]=3 840 B8R1.66 NC1(CCO)COC1 39014 [0,1,0,1,0,0|2,0,0]=4 841 B8R1.66 NC1(CCO)COC1 P19108 [0,1,0,1,0,0|2,0,0]=4 842 B8R1.66 NCCC1(O)COC1 D79127 [0,1,0,1,0,0|1,0,0]=3 843 B8R1.66 OCCC1(O)CCC1 F30304 [0,1,0,1,0,0|0,0,0]=2 844 B8R1.66 OCCC1(O)COC1 P18341 [0,1,0,1,0,0|1,0,0]=3 845 B8R1.12 OC[C@H]1CC[C@H]1CO W19717 [0,1,0,1,0,0|1,0,0]=3 846 B8R1.48 NC[C@H]1CCC1(F)F P13855 [0,1,0,1,0,0|2,0,0]=4 847 B8R1.72 CC1(Br)CCCCC1 P19508 [0,1,0,1,0,0|1,0,0]=3 848 B8R1.72 CC1(Br)CCOCC1 AC1905 [0,1,0,1,0,0|2,0,0]=4 849 B8R1.72 CC1(F)CCNCC1 72921 [0,1,0,1,0,0|2,0,0]=4 850 B8R1.72 CC1(N)CCNCC1 F30991 [0,1,0,1,0,0|2,0,0]=4 851 B8R1.72 CC1(N)CCOCC1 P16590 [0,1,0,1,0,0|2,0,0]=4 852 B8R1.72 CC1(O)CCOCC1 69121 [0,1,0,1,0,0|1,0,0]=3 853 B8R1.72 CC1(O)CCSCC1 C74963 [0,1,0,1,0,0|1,0,0]=3 854 B8R1.72 C[C@]1(O)CCCNC1 37167 [0,1,0,1,0,0|1,0,0]=3 855 B8R1.72 C[C@]1(O)CCCNC1 P18955 [0,1,0,1,0,0|1,0,0]=3 856 B8R1.72 C[C@]1(O)CCCNC1 Y10737 [0,1,0,1,0,0|1,0,0]=3 857 B8R1.72 FC1(F)CCNCC1 32752 [0,1,0,1,0,0|2,0,0]=4 858 B8R1.82 COC1(CCN)CC1 P18937 [0,1,0,1,0,0|1,0,0]=3 859 B8R1.82 N#CC1(CCO)CC1 F30354 [0,1,0,1,0,0|2,0,0]=4 860 B8R1.60 BrCC1(CBr)CCC1 AT23626 [0,1,0,1,0,0|2,0,0]=4 861 B8R1.60 CCC1(CN)COC1 32774 [0,1,0,1,0,0|2,0,0]=4 862 B8R1.60 COC1(CN)CNC1 P18538 [0,1,0,1,0,0|2,0,0]=4 863 B8R1.60 COC1(CO)CNC1 P20649 [0,1,0,1,0,0|2,0,0]=4 864 B8R1.60 COC1(CO)COC1 P17512 [0,1,0,1,0,0|2,0,0]=4 865 B8R1.60 NCC1(CN)CCC1 P12533 [0,1,0,1,0,0|2,0,0]=4 866 B8R1.60 OCC1(CO)CNC1 39072 [0,1,0,1,0,0|2,0,0]=4 867 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 W12506 [0,0,0,2,0,0|2,0,0]=4 868 B8R2.22 C1CC2CNC2C1 D78832 [0,0,0,2,0,0|1,0,0]=3 869 B8R2.34 C1CC2CC1CN2 D73537 [0,0,0,2,0,0|1,0,0]=3 870 B8R2.34 C1CC2CC1CN2 P10332 [0,0,0,2,0,0|1,0,0]=3 871 B8R2.34 C1CC2CCC1C2 F16610 [0,0,0,2,0,0|1,0,0]=3 872 B8R2.34 C1CC2CCC1N2 39142 [0,0,0,2,0,0|1,0,0]=3 873 B8R2.34 C1OC2CNC1C2 CS1881 [0,0,0,2,0,0|1,0,0]=3 874 B8R2.34 C1OC2CNC1C2 SC1961 [0,0,0,2,0,0|1,0,0]=3 875 B8R2.34 C1O[C@@H]2CN[C@H]1C2 38911 [0,0,0,2,0,0|1,0,0]=3 876 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12383 [0,0,0,2,0,0|1,0,0]=3 877 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P14495 [0,0,0,2,0,0|1,0,0]=3 878 B8R2.55 C1CC2(CC2)CN1 80452 [0,0,0,2,0,0|2,0,0]=4 879 B8R2.55 C1CC2(CC2)CN1 P11718 [0,0,0,2,0,0|2,0,0]=4 880 B8R2.55 C1CNC2(C1)CC2 AT12544 [0,0,0,2,0,0|1,0,0]=3 881 B8R2.18 O=C1CC2CC2C1 W10830 [0,0,0,2,0,0|0,0,2]=4 882 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,2,0,0|0,0,2]=4 883 B8R2.38 O=C1CCC2OC12 60057 [0,0,0,2,0,0|1,0,1]=4 884 B8R2.23 C1NCC2CC1N2 F18876 [0,0,0,2,0,0|2,0,0]=4 885 B8R2.25 C1CNC2CC2C1 70876 [0,0,0,2,0,0|2,0,0]=4 886 B8R2.42 C1CC2(C1)CCN2 38572 [0,0,0,2,0,0|1,0,0]=3 887 B8R2.42 C1CC2(C1)CCN2 83734 [0,0,0,2,0,0|1,0,0]=3 888 B8R2.42 C1CC2(C1)CNC2 54112 [0,0,0,2,0,0|2,0,0]=4 889 B8R2.42 C1CC2(C1)CNC2 P11104 [0,0,0,2,0,0|2,0,0]=4 890 B8R2.42 C1CC2(CNC2)O1 32913 [0,0,0,2,0,0|1,0,0]=3 891 B8R2.42 C1CC2(CNC2)O1 38563 [0,0,0,2,0,0|1,0,0]=3 892 B8R2.42 C1CC2(COC2)N1 38573 [0,0,0,2,0,0|2,0,0]=4 893 B8R2.19 O=C1CCC12CC2 P10135 [0,0,0,2,0,0|0,0,2]=4 894 B8R2.19 O[C@H]1CCC12CC2 D96738 [0,0,0,2,0,0|0,0,0]=2 895 B8R2.31 CNC12CC(C1)C2 P19611 [0,0,0,2,0,0|2,0,0]=4 896 B8R2.41 OC1(C2CC2)CC1 93226 [0,0,0,2,0,0|0,0,0]=2