0 B6R0.1 C=CC[C@H](N)CO F16846 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCC[C@@H](Br)CC D78429 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.1 CCC[C@H](N)CO C13482 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 CCO[C@@H](C)CO 91003 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CC[C@H](S)CCO D84734 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.1 CNC(=O)CCN C75423 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 CNC(=O)CCO AC6610 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 CNC(=O)CCS A11187 [0,0,0,0,0,0|2,1,1]=4 8 B6R0.1 COC[C@@H](O)CN 94767 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.1 NCC[C@H](O)CO F51073 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.1 NNC(=O)CCO C77491 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 N[C@H](CO)CCO AB10026 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.1 N[C@H](CO)CCO AB10027 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.1 N[C@H](CS)CCS F52529 [0,0,0,0,0,0|2,1,0]=3 14 B5R0.1 C=CC[C@H](C)O 71459 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 C=CC[C@H](C)O A12634 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CCC[C@H](C)N P14575 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 CCC[C@H](C)N Y10887 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 CN(C)CC=O D88083 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.1 CN(C)CCO D93012 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.1 CNC[C@H](C)O AC1157 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 CNC[C@H](C)O N12528 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 COC[C@H](C)Br 78860 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 COC[C@H](C)N 25526 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 COC[C@H](C)N D95458 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 COC[C@H](C)N W17998 [1,0,0,0,0,0|3,0,0]=4 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|2,0,1]=4 28 B5R0.1 C[C@H](O)CCN 83616 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 C[C@H](O)CON O10313 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 C[S+](C)CCCl 77752 [1,0,0,0,0,0|2,0,0]=3 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|2,0,0]=3 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|2,0,1]=4 36 B5R0.2 C=CCCNC W16107 [1,0,0,0,0,0|2,0,1]=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|1,0,0]=2 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|2,0,0]=3 42 B5R0.2 O=CCCCO 55817 [1,0,0,0,0,0|1,0,1]=3 43 B5R0.3 C=C[C@@H](N)CO 52208 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.3 C=C[C@@H](N)CO 52209 [1,0,0,0,0,0|1,0,2]=4 45 B5R0.3 C=C[C@@H](N)CO 52211 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.3 C=C[C@@H](O)CO 56500 [1,0,0,0,0,0|1,0,2]=4 47 B5R0.3 CCC(=O)CN S11993 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.3 CC[C@H](C)CN 88665 [1,0,0,0,0,0|1,0,0]=2 49 B5R0.3 CC[C@H](N)C#N 98383 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.3 CC[PH](=O)CC C77650 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.3 CN[C@@H](C)CO AC8719 [1,0,0,0,0,0|1,0,0]=2 52 B5R0.3 CN[C@@H](C)CO C77593 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.3 CN[C@@H](C)CO D80042 [1,0,0,0,0,0|1,0,0]=2 54 B5R0.3 CN[C@@H](C)CO D80344 [1,0,0,0,0,0|1,0,0]=2 55 B5R0.3 CN[C@@H](C)CO D82586 [1,0,0,0,0,0|1,0,0]=2 56 B5R0.3 CO[C@@H](C)CN 91001 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.3 CO[C@@H](C)CO 91002 [1,0,0,0,0,0|1,0,0]=2 58 B5R0.3 C[C@@H](CN)CCl 72948 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.3 C[C@@H](CO)CBr AB3182 [1,0,0,0,0,0|1,0,0]=2 60 B5R0.3 FCC(I)CF AC4509 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.3 NC[C@H](Br)CBr AC1488 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.3 NC[C@H](F)CO 94841 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.3 NC[C@H](F)CO 94845 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.3 NC[C@H](F)CO 94846 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.3 NC[C@H](O)CCl C10413 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.3 NC[C@H](O)CF 94771 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.3 OC[C@H](O)CF 65949 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.3 OC[C@H](O)CF F14582 [1,0,0,0,0,0|2,0,0]=3 69 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,1,0,0,0,0|0,0,1]=2 70 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,1,0,0,0,0|0,0,2]=3 71 B7R0.2 CC[C@H](N)CC(=O)O 51922 [0,1,0,0,0,0|1,0,1]=3 72 B7R0.2 CC[C@H](N)CC(=O)O 52000 [0,1,0,0,0,0|1,0,1]=3 73 B7R0.2 CC[C@H](O)CC(=O)O C14017 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.2 COC(C)CC(C)O 78061 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.2 N[C@H](CO)CC(=O)O D95019 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.2 N[C@H](CO)CC(=O)O F14029 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.3 CCC(=O)OCCO A11774 [0,1,0,0,0,0|1,0,1]=3 78 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [0,1,0,0,0,0|1,0,1]=3 79 B7R0.5 CC(C)[C@@H](O)CCN 83602 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.5 CCCC(Br)C(C)Br D81745 [0,1,0,0,0,0|2,0,0]=3 81 B7R0.7 C=C(CCBr)CCBr W15711 [0,1,0,0,0,0|1,0,2]=4 82 B7R0.7 CCC[C@H](Br)CCBr D94373 [0,1,0,0,0,0|2,0,0]=3 83 B7R0.7 CCC[C@H](N)CCO AT20461 [0,1,0,0,0,0|1,0,0]=2 84 B7R0.7 CCC[C@H](N)CCO I11080 [0,1,0,0,0,0|1,0,0]=2 85 B7R0.7 CCC[C@H](N)CCO N12794 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.7 CCNC(=O)CCCl Y14703 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.7 CCOP(C)OCC 28742 [0,1,0,0,0,0|3,0,0]=4 88 B7R0.7 CN(CCO)CCO A10780 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.7 COC[C@@H](N)CCO AT12992 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.10 CCC(C)[C@H](N)C#N AR2444 [0,1,0,0,0,0|1,0,1]=3 91 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [0,1,0,0,0,0|0,0,0]=1 92 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.10 OC[C@H](O)[C@@H](O)CO T72117 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.10 O[C@@H](CS)[C@@H](O)CS T70362 [0,1,0,0,0,0|2,1,0]=4 96 B7R0.11 CC(C)(CO)CCO W16131 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.11 CCC(C)(C)CCCl F50555 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.11 CCCC(C)(C)C#N T70545 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.11 CCC[C@](C)(N)C#N 20848 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.11 CCS(=O)(=O)CCN AR2318 [0,1,0,0,0,0|3,0,0]=4 101 B7R0.11 COCC(C)(C)CO BL000418 [0,1,0,0,0,0|3,0,0]=4 102 B7R0.11 C[N+](C)(CF)CCO W18955 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.11 C[N+](C)(CI)CCO F11952 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.12 CCCC(CO)CO AB7729 [0,1,0,0,0,0|2,0,0]=3 105 B7R0.12 CCN(CCO)N=O T71710 [0,1,0,0,0,0|2,0,0]=3 106 B7R0.12 CCN[C@@H](CC)CO 29377 [0,1,0,0,0,0|2,0,0]=3 107 B7R1.1 BrC[C@H]1CCOC1 84096 [0,0,0,1,0,0|1,0,0]=2 108 B7R1.1 C=CC1CCCC1 T72385 [0,0,0,1,0,0|1,0,2]=4 109 B7R1.1 CC[C@H]1CCCN1 F16886 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.1 CC[C@H]1CCNC1 P14869 [0,0,0,1,0,0|1,0,0]=2 111 B7R1.1 CN[C@H]1CCOC1 P18534 [0,0,0,1,0,0|1,0,0]=2 112 B7R1.1 CN[C@H]1CCOC1 P18535 [0,0,0,1,0,0|1,0,0]=2 113 B7R1.1 CO[C@H]1CCNC1 26935 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.1 CO[C@H]1CCNC1 P10862 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.1 FC[C@H]1CCCN1 37688 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.1 FC[C@H]1CCCN1 P11073 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.1 FC[C@H]1CCNC1 P18731 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.1 N#C[C@H]1CCNC1 81493 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.1 N#C[C@H]1CCNC1 81538 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.1 N#C[C@H]1CCNC1 82703 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.1 N#C[C@H]1CCOC1 39230 [0,0,0,1,0,0|1,0,1]=3 122 B7R1.1 N#C[C@H]1CCOC1 P12891 [0,0,0,1,0,0|1,0,1]=3 123 B7R1.1 NCC1CCCC1 P10292 [0,0,0,1,0,0|2,0,0]=3 124 B7R1.1 NC[C@H]1CCCN1 83159 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.1 NC[C@H]1CCCO1 83007 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.1 NC[C@H]1CCCO1 S11127 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.1 NC[C@H]1CCOC1 37316 [0,0,0,1,0,0|1,0,0]=2 128 B7R1.1 NC[C@H]1CCOC1 68891 [0,0,0,1,0,0|1,0,0]=2 129 B7R1.1 NC[C@H]1CCOC1 P12031 [0,0,0,1,0,0|1,0,0]=2 130 B7R1.1 NNC1CCCC1 BL010355 [0,0,0,1,0,0|3,0,0]=4 131 B7R1.1 NOC1CCCC1 97655 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.1 OC[C@H]1CCCO1 66575 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.1 OC[C@H]1CCNC1 24481 [0,0,0,1,0,0|2,0,0]=3 134 B7R1.1 OC[C@H]1CCNC1 29239 [0,0,0,1,0,0|2,0,0]=3 135 B7R1.1 OC[C@H]1CCNC1 30959 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.1 OC[C@H]1CCOC1 37313 [0,0,0,1,0,0|1,0,0]=2 137 B7R1.1 OC[C@H]1CCOC1 37314 [0,0,0,1,0,0|1,0,0]=2 138 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.2 CN1CCC(=O)C1 64220 [0,0,0,1,0,0|1,0,2]=4 140 B7R1.2 CN1CC[C@H](Br)C1 C14104 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.2 CN1CC[C@H](N)C1 51282 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.2 CN1CC[C@H](N)C1 51289 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.2 CN1CC[C@H](N)C1 FD9067 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,0,0,1,0,0|1,0,2]=4 145 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [0,0,0,1,0,0|1,0,0]=2 146 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,0,0,1,0,0|1,0,2]=4 147 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,0,0,1,0,0|1,0,2]=4 148 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.2 NC1CCC(N)C1 D79385 [0,0,0,1,0,0|2,0,0]=3 151 B7R1.2 NC1CCC(O)C1 21055 [0,0,0,1,0,0|1,0,0]=2 152 B7R1.2 NC1CCC(O)C1 26425 [0,0,0,1,0,0|1,0,0]=2 153 B7R1.2 N[C@@H]1CC[C@H](F)C1 P18588 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.2 N[C@@H]1CC[C@H](F)C1 P20484 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [0,0,0,1,0,0|1,0,0]=2 156 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [0,0,0,1,0,0|1,0,0]=2 157 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [0,0,0,1,0,0|1,0,0]=2 158 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [0,0,0,1,0,0|1,0,0]=2 159 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [0,0,0,1,0,0|1,0,0]=2 160 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [0,0,0,1,0,0|1,0,0]=2 161 B7R1.2 N[C@H]1CC[C@H](N)C1 F53332 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [0,0,0,1,0,0|1,0,0]=2 163 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [0,0,0,1,0,0|1,0,0]=2 164 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [0,0,0,1,0,0|1,0,0]=2 165 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,0,0,1,0,0|1,0,1]=3 166 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.2 O[C@@H]1C=C[C@H](O)C1 P10067 [0,0,0,1,0,0|1,0,2]=4 168 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [0,0,0,1,0,0|1,0,0]=2 169 B7R1.3 BrC1=CCOCC1 C90119 [0,0,0,1,0,0|1,0,2]=4 170 B7R1.3 C=C1CCNCC1 88914 [0,0,0,1,0,0|1,0,2]=4 171 B7R1.3 C=C1CCOCC1 84295 [0,0,0,1,0,0|0,0,2]=3 172 B7R1.3 CC1=CCNCC1 A11257 [0,0,0,1,0,0|1,0,2]=4 173 B7R1.3 C[C@H]1CCCCN1 C73894 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.3 C[C@H]1CCCNC1 36405 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.3 C[C@H]1CNCCO1 24564 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.3 C[C@H]1CNCCO1 27729 [0,0,0,1,0,0|3,0,0]=4 177 B7R1.3 C[C@H]1CNCCO1 F13460 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.3 C[C@H]1CNCCO1 P11013 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.3 C[C@H]1COCCN1 72593 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.3 F[C@H]1CCCNC1 37161 [0,0,0,1,0,0|3,0,0]=4 181 B7R1.3 F[C@H]1CCCNC1 37162 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.3 N[C@H]1CCCNC1 C72133 [0,0,0,1,0,0|3,0,0]=4 183 B7R1.3 N[C@H]1CCCOC1 F10442 [0,0,0,1,0,0|3,0,0]=4 184 B7R1.3 O[C@H]1CCCOC1 P10754 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.3 O[C@H]1CCCOC1 P10755 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.3 SC1CCNCC1 39018 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.3 SC1CCOCC1 AT12453 [0,0,0,1,0,0|1,0,0]=2 188 B7R1.3 S[C@H]1CCCNC1 P11853 [0,0,0,1,0,0|3,0,0]=4 189 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.4 CC1CNCC1C P18713 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,0,0,1,0,0|3,0,0]=4 200 B7R1.4 NC1CCCC1N F16273 [0,0,0,1,0,0|3,0,0]=4 201 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,0,0,1,0,0|3,0,0]=4 202 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [0,0,0,1,0,0|3,0,0]=4 203 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [0,0,0,1,0,0|3,0,0]=4 204 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,0,0,1,0,0|2,0,1]=4 207 B7R1.6 C=CCC1CNC1 P14594 [0,0,0,1,0,0|2,0,1]=4 208 B7R1.6 CCNC1CCC1 W19308 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.6 CCNC1COC1 32797 [0,0,0,1,0,0|3,0,0]=4 210 B7R1.6 CCOC1CNC1 C16603 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.6 CNCC1COC1 32854 [0,0,0,1,0,0|3,0,0]=4 212 B7R1.6 CNC[C@H]1CCO1 D96714 [0,0,0,1,0,0|3,0,0]=4 213 B7R1.6 COCC1CNC1 36064 [0,0,0,1,0,0|3,0,0]=4 214 B7R1.6 COCC1CNC1 37073 [0,0,0,1,0,0|3,0,0]=4 215 B7R1.6 COC[C@H]1CCN1 38829 [0,0,0,1,0,0|3,0,0]=4 216 B7R1.6 COC[C@H]1CCN1 P15803 [0,0,0,1,0,0|3,0,0]=4 217 B7R1.6 N#CCC1CCC1 55430 [0,0,0,1,0,0|1,0,1]=3 218 B7R1.6 N#CCC1CNC1 P14687 [0,0,0,1,0,0|2,0,1]=4 219 B7R1.6 N#CCC1COC1 D79136 [0,0,0,1,0,0|2,0,1]=4 220 B7R1.6 NCCC1CCC1 P10851 [0,0,0,1,0,0|1,0,0]=2 221 B7R1.6 NCCC1COC1 85783 [0,0,0,1,0,0|2,0,0]=3 222 B7R1.6 NNCC1CCC1 P12716 [0,0,0,1,0,0|2,0,0]=3 223 B7R1.6 O=CCC1CCC1 55432 [0,0,0,1,0,0|0,0,2]=3 224 B7R1.6 O=CCC1COC1 CS2316 [0,0,0,1,0,0|1,0,2]=4 225 B7R1.6 OCCC1CCC1 32129 [0,0,0,1,0,0|0,0,0]=1 226 B7R1.6 OCCC1CNC1 P16512 [0,0,0,1,0,0|1,0,0]=2 227 B7R1.6 OCCC1COC1 32759 [0,0,0,1,0,0|1,0,0]=2 228 B7R1.6 OCCN1CCC1 70839 [0,0,0,1,0,0|1,0,0]=2 229 B7R1.6 OCC[C@H]1CCO1 P17680 [0,0,0,1,0,0|1,0,0]=2 230 B7R1.8 CC1NCC1C#N D96740 [0,0,0,1,0,0|2,0,1]=4 231 B7R1.8 CN1CC[C@@H]1CN P15857 [0,0,0,1,0,0|2,0,0]=3 232 B7R1.8 CN1CC[C@@H]1CO 63438 [0,0,0,1,0,0|1,0,0]=2 233 B7R1.8 CN1CC[C@@H]1CO AT17142 [0,0,0,1,0,0|1,0,0]=2 234 B7R1.8 CN1CC[C@@H]1CO P18351 [0,0,0,1,0,0|1,0,0]=2 235 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,0,0,1,0,0|1,0,1]=3 236 B7R1.9 NCC1CC1CO C14991 [0,0,0,1,0,0|1,0,0]=2 237 B7R1.9 NC[C@H]1C[C@@H]1CN D79389 [0,0,0,1,0,0|2,0,0]=3 238 B7R1.9 OC[C@H]1C[C@H]1CO P16470 [0,0,0,1,0,0|1,0,0]=2 239 B7R1.10 C=C1CC(CO)C1 D79070 [0,0,0,1,0,0|2,0,1]=4 240 B7R1.10 CC1CC(CN)C1 72944 [0,0,0,1,0,0|2,0,0]=3 241 B7R1.10 CN1CC(CN)C1 37075 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.10 CN1CC(CO)C1 P17862 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.10 CNC1CC(C)C1 72947 [0,0,0,1,0,0|2,0,0]=3 244 B7R1.10 CNC1CC(O)C1 37731 [0,0,0,1,0,0|1,0,0]=2 245 B7R1.10 CNC1CN(C)C1 38831 [0,0,0,1,0,0|3,0,0]=4 246 B7R1.10 CN[C@H]1C[C@@H](O)C1 P13897 [0,0,0,1,0,0|1,0,0]=2 247 B7R1.10 CN[C@H]1C[C@H](O)C1 38892 [0,0,0,1,0,0|1,0,0]=2 248 B7R1.10 COC1CC(=O)C1 P12741 [0,0,0,1,0,0|1,0,2]=4 249 B7R1.10 COC1CC(N)C1 37221 [0,0,0,1,0,0|2,0,0]=3 250 B7R1.10 COC1CC(O)C1 R10063 [0,0,0,1,0,0|1,0,0]=2 251 B7R1.10 CO[C@H]1C[C@@H](N)C1 39167 [0,0,0,1,0,0|2,0,0]=3 252 B7R1.10 CO[C@H]1C[C@H](N)C1 39168 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.10 N#CC1CC(I)C1 AT12394 [0,0,0,1,0,0|2,0,1]=4 254 B7R1.10 N#CC1CC(N)C1 37826 [0,0,0,1,0,0|2,0,1]=4 255 B7R1.10 N#C[C@H]1C[C@@H](N)C1 P16656 [0,0,0,1,0,0|2,0,1]=4 256 B7R1.10 N#C[C@H]1C[C@@H](O)C1 39462 [0,0,0,1,0,0|1,0,1]=3 257 B7R1.10 N#C[C@H]1C[C@H](N)C1 P17914 [0,0,0,1,0,0|2,0,1]=4 258 B7R1.10 NCC1CC(F)C1 38649 [0,0,0,1,0,0|2,0,0]=3 259 B7R1.10 NCC1CC(O)C1 37219 [0,0,0,1,0,0|1,0,0]=2 260 B7R1.10 NC[C@H]1C[C@H](O)C1 37659 [0,0,0,1,0,0|1,0,0]=2 261 B7R1.10 N[C@H]1C[C@@H](CO)C1 29808 [0,0,0,1,0,0|2,0,0]=3 262 B7R1.10 N[C@H]1C[C@@H](CO)C1 37494 [0,0,0,1,0,0|2,0,0]=3 263 B7R1.10 N[C@H]1C[C@H](CO)C1 37495 [0,0,0,1,0,0|2,0,0]=3 264 B7R1.10 O=C1CC(CBr)C1 39031 [0,0,0,1,0,0|1,0,2]=4 265 B7R1.10 O=C1CC(CCl)C1 P11243 [0,0,0,1,0,0|1,0,2]=4 266 B7R1.10 OCC1CC(F)C1 72453 [0,0,0,1,0,0|2,0,0]=3 267 B7R1.10 OCC1CC(O)C1 N10548 [0,0,0,1,0,0|1,0,0]=2 268 B7R1.10 O[C@H]1C[C@@H](CF)C1 P21066 [0,0,0,1,0,0|1,0,0]=2 269 B7R1.21 CC1(CCO)CC1 P14058 [0,0,0,1,0,0|0,0,0]=1 270 B7R1.21 CC1(CCO)N=N1 F18261 [0,0,0,1,0,0|2,0,0]=3 271 B7R1.21 CCOC1(O)CC1 O10402 [0,0,0,1,0,0|3,0,0]=4 272 B7R1.22 N[C@@H](CO)C1CC1 N11217 [0,0,0,1,0,0|3,0,0]=4 273 B7R1.22 N[C@@H](CO)C1CC1 P18914 [0,0,0,1,0,0|3,0,0]=4 274 B7R1.22 N[C@@H](CO)C1CC1 Y14567 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.25 CC1(CF)CNC1 D79152 [0,0,0,1,0,0|3,0,0]=4 276 B7R1.25 CC1(CN)CNC1 80498 [0,0,0,1,0,0|3,0,0]=4 277 B7R1.25 CC1(CO)CCC1 90942 [0,0,0,1,0,0|2,0,0]=3 278 B7R1.25 CC1(CO)CNC1 73126 [0,0,0,1,0,0|3,0,0]=4 279 B7R1.25 CCC1(C)CNC1 D79218 [0,0,0,1,0,0|2,0,0]=3 280 B7R1.25 CCC1(F)CNC1 D79682 [0,0,0,1,0,0|3,0,0]=4 281 B7R1.25 CCC1(N)COC1 32880 [0,0,0,1,0,0|3,0,0]=4 282 B7R1.25 CCC1(O)COC1 69107 [0,0,0,1,0,0|3,0,0]=4 283 B7R1.25 CNC1(C)COC1 39042 [0,0,0,1,0,0|3,0,0]=4 284 B7R1.25 C[C@]1(CN)CCO1 D79679 [0,0,0,1,0,0|1,0,0]=2 285 B7R1.25 C[C@]1(CN)CCO1 P20357 [0,0,0,1,0,0|1,0,0]=2 286 B7R1.25 C[C@]1(CO)CCN1 P18401 [0,0,0,1,0,0|2,0,0]=3 287 B7R1.25 NC1(CO)CCC1 P11244 [0,0,0,1,0,0|3,0,0]=4 288 B7R1.25 NCC1(F)CCC1 85743 [0,0,0,1,0,0|3,0,0]=4 289 B7R1.25 NCC1(O)CCC1 27372 [0,0,0,1,0,0|3,0,0]=4 290 B7R1.25 OCC1(F)CCC1 85746 [0,0,0,1,0,0|3,0,0]=4 291 B7R1.25 OCC1(O)CCC1 AT20135 [0,0,0,1,0,0|3,0,0]=4 292 B4R0.1 CC(C)CBr P19652 [2,0,0,0,0,0|1,0,0]=3 293 B4R0.1 CC[C@H](C)N 74047 [2,0,0,0,0,0|1,0,0]=3 294 B4R0.1 C[C@H](Br)CN F11189 [2,0,0,0,0,0|2,0,0]=4 295 B4R0.1 C[C@H](Br)CO W17591 [2,0,0,0,0,0|1,0,0]=3 296 B4R0.1 C[C@H](Cl)CN Y14715 [2,0,0,0,0,0|2,0,0]=4 297 B4R0.1 C[C@H](N)CF AC1136 [2,0,0,0,0,0|2,0,0]=4 298 B4R0.1 C[C@H](N)CF AC6177 [2,0,0,0,0,0|2,0,0]=4 299 B4R0.2 BrCCCBr D77913 [2,0,0,0,0,0|2,0,0]=4 300 B4R0.2 CCCCN T70838 [2,0,0,0,0,0|1,0,0]=3 301 B4R0.2 CCONC AT14498 [2,0,0,0,0,0|2,0,0]=4 302 B4R0.2 COCCI A50601 [2,0,0,0,0,0|2,0,0]=4 303 B4R0.2 CSCCN D73275 [2,0,0,0,0,0|2,0,0]=4 304 B4R0.2 NCCCF 61303 [2,0,0,0,0,0|2,0,0]=4 305 B4R0.2 NCCCN T70045 [2,0,0,0,0,0|2,0,0]=4 306 B4R0.2 NCCCS A11074 [2,0,0,0,0,0|1,1,0]=4 307 B4R0.2 OCCCO D77845 [2,0,0,0,0,0|1,0,0]=3 308 B4R0.2 OCCCS D78398 [2,0,0,0,0,0|1,0,0]=3 309 B4R0.2 SCCCBr 77989 [2,0,0,0,0,0|1,1,0]=4 310 B6R0.2 CC(Br)CC(C)Br T70499 [1,1,0,0,0,0|2,0,0]=4 311 B6R0.2 CC(C)CC(N)=O C75541 [1,1,0,0,0,0|0,0,2]=4 312 B6R0.2 C[C@H](N)CN(C)C 76720 [1,1,0,0,0,0|2,0,0]=4 313 B6R0.2 C[C@H](O)CC(=O)O C10552 [1,1,0,0,0,0|1,0,1]=4 314 B6R0.2 C[C@H](O)CN(C)C A11394 [1,1,0,0,0,0|1,0,0]=3 315 B6R0.3 CC(C)C(=O)CCl D94573 [1,1,0,0,0,0|1,0,1]=4 316 B6R0.3 CC(C)[C@@H](C)CO D93394 [1,1,0,0,0,0|0,0,0]=2 317 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [1,1,0,0,0,0|2,0,0]=4 318 B6R0.4 C#CCOC(C)C 79308 [1,1,0,0,0,0|1,0,1]=4 319 B6R0.4 CC(C)CCC=O 31143 [1,1,0,0,0,0|0,0,1]=3 320 B6R0.4 CC(C)OCCBr 33996 [1,1,0,0,0,0|1,0,0]=3 321 B6R0.4 CC(C)OCCN T71353 [1,1,0,0,0,0|1,0,0]=3 322 B6R0.4 CCOC[C@H](C)N 75202 [1,1,0,0,0,0|2,0,0]=4 323 B6R0.4 C[C@H](Cl)CCCCl A11066 [1,1,0,0,0,0|2,0,0]=4 324 B6R0.5 C#CCC(C)(C)O 77946 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.5 C=CCC(C)(C)C T71314 [1,1,0,0,0,0|1,0,1]=4 326 B6R0.5 CC(C)(C)C=NO AR2360 [1,1,0,0,0,0|1,0,1]=4 327 B6R0.5 CC(C)(C)CCI D86336 [1,1,0,0,0,0|1,0,0]=3 328 B6R0.5 CC(C)(F)CCN W17442 [1,1,0,0,0,0|1,0,0]=3 329 B6R0.5 CC(C)(O)CCN A51232 [1,1,0,0,0,0|1,0,0]=3 330 B6R0.5 CC(C)(O)CON AC7988 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.5 CNCC(C)(C)F 85781 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.5 C[Si](C)(C)CCS 74594 [1,1,0,0,0,0|0,2,0]=4 333 B6R0.6 BrCCNCCBr 35649 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.6 C#CCCCCI C74272 [1,1,0,0,0,0|1,0,1]=4 335 B6R0.6 C#CCCCCN 79352 [1,1,0,0,0,0|1,0,1]=4 336 B6R0.6 C=CCNCCO W12833 [1,1,0,0,0,0|0,0,2]=4 337 B6R0.6 CC#CCCCO W16152 [1,1,0,0,0,0|0,0,1]=3 338 B6R0.6 CCOCCCBr A11082 [1,1,0,0,0,0|1,0,0]=3 339 B6R0.6 CCOCCON W15834 [1,1,0,0,0,0|1,0,0]=3 340 B6R0.6 CC\C=C/CCI 98107 [1,1,0,0,0,0|1,0,1]=4 341 B6R0.6 CNCC#CCO 68302 [1,1,0,0,0,0|0,0,2]=4 342 B6R0.6 CNCCCCBr C74879 [1,1,0,0,0,0|1,0,0]=3 343 B6R0.6 CNCCCCN D80538 [1,1,0,0,0,0|1,0,0]=3 344 B6R0.6 ClCCOCCI 12079 [1,1,0,0,0,0|2,0,0]=4 345 B6R0.6 N#CCCCCBr D77353 [1,1,0,0,0,0|1,0,1]=4 346 B6R0.6 NCCCCCBr 97997 [1,1,0,0,0,0|1,0,0]=3 347 B6R0.6 NCCNCCN D81398 [1,1,0,0,0,0|2,0,0]=4 348 B6R0.6 O=NCNCCO D93315 [1,1,0,0,0,0|2,0,0]=4 349 B6R0.6 OCCCCCO D77911 [1,1,0,0,0,0|0,0,0]=2 350 B6R0.6 OCCOCCF AT25497 [1,1,0,0,0,0|1,0,0]=3 351 B6R0.8 C#CC(C)(C)CO 20986 [1,1,0,0,0,0|0,0,2]=4 352 B6R0.8 CC(O)(CO)CO AC1642 [1,1,0,0,0,0|1,0,0]=3 353 B6R0.8 CC[C@](C)(N)C#N 25874 [1,1,0,0,0,0|1,0,1]=4 354 B6R0.8 COC(C)(C)CBr 71702 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.8 NCC(F)(F)CO 74613 [1,1,0,0,0,0|2,0,0]=4 356 B6R0.9 CCC(C#N)CC AC1599 [1,1,0,0,0,0|0,0,1]=3 357 B6R0.9 CCC(CBr)CBr W17735 [1,1,0,0,0,0|1,0,0]=3 358 B6R0.9 CCN(C#N)CC A12695 [1,1,0,0,0,0|1,0,1]=4 359 B6R0.9 CC[C@@H](CN)CO Y13480 [1,1,0,0,0,0|0,0,0]=2 360 B6R0.9 CO[C@@H](CN)CO P20679 [1,1,0,0,0,0|1,0,0]=3 361 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O FD21836 [0,2,0,0,0,0|0,0,1]=3 362 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O C90303 [0,2,0,0,0,0|0,0,1]=3 363 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A11792 [0,2,0,0,0,0|1,0,1]=4 364 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [0,2,0,0,0,0|1,0,0]=3 365 B8R0.5 CCC[C@H](C)CC(C)C F17729 [0,2,0,0,0,0|1,0,0]=3 366 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [0,2,0,0,0,0|1,0,1]=4 367 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,2,0,0,0,0|1,0,1]=4 368 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,2,0,0,0,0|1,0,1]=4 369 B8R0.23 CC(C)N(C)CC(=O)O 71944 [0,2,0,0,0,0|1,0,1]=4 370 B8R0.23 CC(C)[C@@H](N)CC(=O)O 29560 [0,2,0,0,0,0|1,0,1]=4 371 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62353 [0,2,0,0,0,0|1,0,1]=4 372 B8R0.24 CC[C@H](C)OC(C)(C)C A10768 [0,2,0,0,0,0|2,0,0]=4 373 B8R0.34 CC(C)(CN)CC(=O)O C11406 [0,2,0,0,0,0|1,0,1]=4 374 B8R0.1 C#CCCC(=O)CCO N11427 [0,2,0,0,0,0|1,0,1]=4 375 B8R0.1 CCCC(=O)OCCO D81566 [0,2,0,0,0,0|1,0,1]=4 376 B8R0.1 CCCC[C@H](C)CCO D93301 [0,2,0,0,0,0|0,0,0]=2 377 B8R0.1 CCC[C@H](C)CCCO A12859 [0,2,0,0,0,0|0,0,0]=2 378 B8R0.1 CCOC(=O)CCCO C91677 [0,2,0,0,0,0|1,0,1]=4 379 B8R0.1 COCCN(C)CCO F18234 [0,2,0,0,0,0|1,0,0]=3 380 B8R0.9 CCC(C)=CCC(=O)O C75612 [0,2,0,0,0,0|0,0,2]=4 381 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [0,2,0,0,0,0|0,0,2]=4 382 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [0,2,0,0,0,0|1,0,1]=4 383 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [0,2,0,0,0,0|2,0,0]=4 384 B8R0.25 CCCCC(C)(C)CO A12319 [0,2,0,0,0,0|2,0,0]=4 385 B8R0.14 N[C@@H](CCO)C(F)(F)F F30508 [0,2,0,0,0,0|2,0,0]=4 386 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [0,2,0,0,0,0|1,0,1]=4 387 B8R0.31 CCC(O)(CC)COC 73811 [0,2,0,0,0,0|2,0,0]=4 388 B8R0.31 CCC[C@](N)(C#N)CC D84556 [0,2,0,0,0,0|1,0,1]=4 389 B8R0.31 COP(=O)(CCO)OC C15969 [0,2,0,0,0,0|2,0,0]=4 390 B6R1.2 C[C@H]1CCNC1 69327 [1,0,0,1,0,0|1,0,0]=3 391 B6R1.2 C[C@H]1CCSC1 70016 [1,0,0,1,0,0|0,1,0]=3 392 B6R1.2 Cl[C@H]1CCNC1 W15835 [1,0,0,1,0,0|2,0,0]=4 393 B6R1.2 Cl[C@H]1CCOC1 N12419 [1,0,0,1,0,0|1,0,0]=3 394 B6R1.2 F[C@H]1CCNC1 P10396 [1,0,0,1,0,0|2,0,0]=4 395 B6R1.2 F[C@H]1CCNC1 P10397 [1,0,0,1,0,0|2,0,0]=4 396 B6R1.2 I[C@H]1CCOC1 37310 [1,0,0,1,0,0|1,0,0]=3 397 B6R1.2 I[C@H]1CCOC1 37311 [1,0,0,1,0,0|1,0,0]=3 398 B6R1.2 N[C@H]1CCSC1 70834 [1,0,0,1,0,0|1,1,0]=4 399 B6R1.2 O[C@H]1CCSC1 50208 [1,0,0,1,0,0|1,1,0]=4 400 B6R1.2 O[C@H]1CNOC1 31712 [1,0,0,1,0,0|2,0,0]=4 401 B6R1.3 BrCCC1CC1 32177 [1,0,0,1,0,0|1,0,0]=3 402 B6R1.3 BrCC[C@H]1CO1 F20905 [1,0,0,1,0,0|2,0,0]=4 403 B6R1.3 C#CCC1CC1 70830 [1,0,0,1,0,0|1,0,1]=4 404 B6R1.3 CNCC1CC1 P11100 [1,0,0,1,0,0|2,0,0]=4 405 B6R1.3 ICCC1CC1 73383 [1,0,0,1,0,0|1,0,0]=3 406 B6R1.3 NNCC1CC1 P11241 [1,0,0,1,0,0|2,0,0]=4 407 B6R1.3 NOCC1CC1 59190 [1,0,0,1,0,0|2,0,0]=4 408 B6R1.3 O=CCC1CC1 P10743 [1,0,0,1,0,0|0,0,2]=4 409 B6R1.5 CC1CC(=O)C1 P12177 [1,0,0,1,0,0|0,0,2]=4 410 B6R1.5 CC1CC(N)C1 72358 [1,0,0,1,0,0|1,0,0]=3 411 B6R1.5 CN1CC(Cl)C1 P18477 [1,0,0,1,0,0|2,0,0]=4 412 B6R1.5 CN1CC(N)C1 37022 [1,0,0,1,0,0|2,0,0]=4 413 B6R1.5 CN1CC(O)C1 37023 [1,0,0,1,0,0|1,0,0]=3 414 B6R1.5 C[C@H]1C[C@@H](N)C1 P18428 [1,0,0,1,0,0|1,0,0]=3 415 B6R1.5 C[C@H]1C[C@H](N)C1 D79129 [1,0,0,1,0,0|1,0,0]=3 416 B6R1.5 NC1CC(F)C1 80871 [1,0,0,1,0,0|2,0,0]=4 417 B6R1.5 NC1CC(N)C1 38579 [1,0,0,1,0,0|2,0,0]=4 418 B6R1.5 NN1CC(O)C1 P15912 [1,0,0,1,0,0|2,0,0]=4 419 B6R1.5 N[C@H]1C[C@@H](F)C1 P16188 [1,0,0,1,0,0|2,0,0]=4 420 B6R1.5 N[C@H]1C[C@@H](N)C1 38580 [1,0,0,1,0,0|2,0,0]=4 421 B6R1.5 N[C@H]1C[C@H](O)C1 31135 [1,0,0,1,0,0|1,0,0]=3 422 B6R1.5 O=C1CC(O)C1 P12929 [1,0,0,1,0,0|1,0,1]=4 423 B6R1.5 OC1CC(F)C1 80872 [1,0,0,1,0,0|1,0,0]=3 424 B6R1.5 OC1CC(O)C1 P18335 [1,0,0,1,0,0|1,0,0]=3 425 B6R1.5 O[C@H]1C[C@@H](O)C1 P20298 [1,0,0,1,0,0|1,0,0]=3 426 B6R1.5 O[C@H]1C[C@H](F)C1 38850 [1,0,0,1,0,0|1,0,0]=3 427 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [1,0,0,1,0,0|0,0,0]=2 428 B6R1.8 OC[C@H]1C[C@@H]1F CS3459 [1,0,0,1,0,0|1,0,0]=3 429 B6R1.9 CC1(C)C[C@@H]1N 69330 [1,0,0,1,0,0|1,0,0]=3 430 B6R1.10 CC1(N)CCC1 P10590 [1,0,0,1,0,0|2,0,0]=4 431 B6R1.10 CC1(N)CCC1 P10892 [1,0,0,1,0,0|2,0,0]=4 432 B6R1.10 CC1(O)CCC1 83777 [1,0,0,1,0,0|2,0,0]=4 433 B6R1.11 C[C@H](N)C1CC1 N10509 [1,0,0,1,0,0|2,0,0]=4 434 B6R1.11 C[C@H](N)C1CC1 W12229 [1,0,0,1,0,0|2,0,0]=4 435 B6R1.11 C[C@H](O)C1CC1 C77522 [1,0,0,1,0,0|2,0,0]=4 436 B6R1.11 C[C@H](O)C1CC1 C77523 [1,0,0,1,0,0|2,0,0]=4 437 B6R1.1 C1CCNNC1 71659 [1,0,0,1,0,0|2,0,0]=4 438 B6R1.4 CC1NCC1F P20228 [1,0,0,1,0,0|2,0,0]=4 439 B6R1.4 CC1OCC1O P16543 [1,0,0,1,0,0|1,0,0]=3 440 B6R1.4 C[C@H]1CCC1=O W18267 [1,0,0,1,0,0|0,0,2]=4 441 B6R1.4 C[C@H]1NC[C@@H]1F P20392 [1,0,0,1,0,0|2,0,0]=4 442 B6R1.4 C[C@H]1NC[C@@H]1O D79131 [1,0,0,1,0,0|1,0,0]=3 443 B6R1.4 C[C@H]1NC[C@@H]1O P18430 [1,0,0,1,0,0|1,0,0]=3 444 B6R1.4 NC1CCC1F P20418 [1,0,0,1,0,0|2,0,0]=4 445 B6R1.4 NC1CCC1O 94999 [1,0,0,1,0,0|1,0,0]=3 446 B6R1.4 N[C@@H]1CC[C@@H]1O P18786 [1,0,0,1,0,0|1,0,0]=3 447 B6R1.4 OC1CCC1O D79179 [1,0,0,1,0,0|1,0,0]=3 448 B6R1.4 O[C@H]1CC[C@@H]1O P21043 [1,0,0,1,0,0|1,0,0]=3 449 B6R1.6 BrC[C@H]1CCO1 28585 [1,0,0,1,0,0|1,0,0]=3 450 B6R1.6 BrC[C@H]1CCO1 D97141 [1,0,0,1,0,0|1,0,0]=3 451 B6R1.6 BrC[C@H]1CCO1 P21121 [1,0,0,1,0,0|1,0,0]=3 452 B6R1.6 C#C[C@@H]1CCO1 P18800 [1,0,0,1,0,0|0,0,2]=4 453 B6R1.6 CNC1CCC1 20929 [1,0,0,1,0,0|2,0,0]=4 454 B6R1.6 FCC1CNC1 86811 [1,0,0,1,0,0|2,0,0]=4 455 B6R1.6 NCC1CNC1 26899 [1,0,0,1,0,0|2,0,0]=4 456 B6R1.6 NC[C@H]1CCN1 20184 [1,0,0,1,0,0|2,0,0]=4 457 B6R1.6 NC[C@H]1CCO1 P20441 [1,0,0,1,0,0|1,0,0]=3 458 B6R1.6 NNC1CCC1 AB1362 [1,0,0,1,0,0|2,0,0]=4 459 B6R1.6 NNC1CCC1 BL010353 [1,0,0,1,0,0|2,0,0]=4 460 B6R1.6 OCC1CNC1 65945 [1,0,0,1,0,0|1,0,0]=3 461 B6R1.6 OC[C@H]1CCN1 36269 [1,0,0,1,0,0|1,0,0]=3 462 B6R1.6 OC[C@H]1CCN1 38353 [1,0,0,1,0,0|1,0,0]=3 463 B6R1.6 OC[C@H]1CCN1 38354 [1,0,0,1,0,0|1,0,0]=3 464 B6R1.6 OC[C@H]1CCO1 26540 [1,0,0,1,0,0|1,0,0]=3 465 B6R1.6 OC[C@H]1CCO1 AT10832 [1,0,0,1,0,0|1,0,0]=3 466 B6R1.6 OC[C@H]1CCO1 P19736 [1,0,0,1,0,0|1,0,0]=3 467 B6R1.7 CC1(CN)CC1 W10016 [1,0,0,1,0,0|1,0,0]=3 468 B6R1.7 CC1(CO)N=N1 F18398 [1,0,0,1,0,0|2,0,0]=4 469 B6R1.7 C[C@]1(CO)CO1 95575 [1,0,0,1,0,0|1,0,0]=3 470 B6R1.7 NC1(CF)CC1 72945 [1,0,0,1,0,0|2,0,0]=4 471 B6R1.7 NC1(CO)CC1 32781 [1,0,0,1,0,0|1,0,0]=3 472 B6R1.7 NCC1(O)CC1 AC3228 [1,0,0,1,0,0|2,0,0]=4 473 B6R1.7 OCC1(F)CC1 72692 [1,0,0,1,0,0|1,0,0]=3 474 B6R1.7 OCC1(O)CC1 72268 [1,0,0,1,0,0|1,0,0]=3 475 B8R1.1 CCN1CC[C@H](N)C1 P15254 [0,1,0,1,0,0|2,0,0]=4 476 B8R1.1 CCN1CC[C@H](N)C1 P15821 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.1 CN1CC[C@H](CN)C1 P13795 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.1 CN1CC[C@H](CN)C1 P13796 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.1 CN1CC[C@H](CO)C1 22985 [0,1,0,1,0,0|1,0,0]=3 480 B8R1.1 CN1CC[C@H](CO)C1 37309 [0,1,0,1,0,0|1,0,0]=3 481 B8R1.1 CN[C@H]1CCN(C)C1 P12573 [0,1,0,1,0,0|2,0,0]=4 482 B8R1.1 COC1CCC(N)C1 33463 [0,1,0,1,0,0|1,0,0]=3 483 B8R1.1 COC1CCC(O)C1 P19125 [0,1,0,1,0,0|0,0,0]=2 484 B8R1.1 CO[C@H]1CC[C@@H](N)C1 P19923 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.1 CO[C@H]1CC[C@H](N)C1 P17830 [0,1,0,1,0,0|1,0,0]=3 486 B8R1.1 C[C@@H]1CC[C@H](CO)O1 73085 [0,1,0,1,0,0|0,0,0]=2 487 B8R1.1 N#CC1CCC(O)C1 W19383 [0,1,0,1,0,0|0,0,1]=3 488 B8R1.1 N#C[C@@H]1CC[C@H](O)C1 73072 [0,1,0,1,0,0|0,0,1]=3 489 B8R1.1 N#C[C@H]1CC[C@H](O)C1 73073 [0,1,0,1,0,0|0,0,1]=3 490 B8R1.1 NCC1CCC(F)C1 72980 [0,1,0,1,0,0|1,0,0]=3 491 B8R1.1 NCC1CCC(O)C1 72949 [0,1,0,1,0,0|0,0,0]=2 492 B8R1.1 NC[C@H]1CC[C@H](F)C1 72985 [0,1,0,1,0,0|1,0,0]=3 493 B8R1.1 N[C@@H]1CN[C@@H](CO)C1 91826 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,1,0,1,0,0|0,0,2]=4 495 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,1,0,1,0,0|1,0,1]=4 496 B8R1.1 OC[C@@H]1C[C@H](F)CN1 D79544 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.1 OC[C@@H]1C[C@H](O)CN1 S10025 [0,1,0,1,0,0|1,0,0]=3 498 B8R1.4 CC1CC(N)CCO1 D78849 [0,1,0,1,0,0|1,0,0]=3 499 B8R1.4 CC1CC(N)CCO1 P16002 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.4 CC1CC(O)CCN1 33466 [0,1,0,1,0,0|0,0,0]=2 501 B8R1.4 CC1CC(O)CCN1 P17258 [0,1,0,1,0,0|0,0,0]=2 502 B8R1.4 CC1CNCC(C)O1 F18860 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.4 CC1CNCC(O)C1 AC5056 [0,1,0,1,0,0|0,0,0]=2 504 B8R1.4 CC1COCC(C)N1 P10582 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.4 CN1CCC[C@H](N)C1 37174 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.4 CN1CCC[C@H](N)C1 37175 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.4 CN1CCC[C@H](N)C1 F13528 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.4 CN1CCC[C@H](N)C1 P12011 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [0,1,0,1,0,0|1,0,0]=3 510 B8R1.4 C[C@@H]1CNC[C@H](C)C1 F12546 [0,1,0,1,0,0|1,0,0]=3 511 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,1,0,1,0,0|0,0,2]=4 512 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,1,0,1,0,0|0,0,2]=4 513 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,1,0,1,0,0|0,0,2]=4 514 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,1,0,1,0,0|0,0,2]=4 515 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,1,0,1,0,0|0,0,2]=4 516 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,1,0,1,0,0|1,0,1]=4 517 B8R1.4 C[C@H]1CN(C)CCN1 32818 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.4 C[C@H]1CN(C)CCN1 F12507 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.4 C[C@H]1CN(C)CCN1 F12510 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.4 C[C@H]1CN(C)CCN1 P15101 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.4 C[C@H]1CN(C)CCN1 P18658 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.4 C[C@H]1CNC[C@H](C)N1 39071 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.4 C[C@H]1CNC[C@H](C)N1 98320 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.4 C[C@H]1CNC[C@H](C)O1 38409 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.4 C[C@H]1CNC[C@H](C)O1 70211 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.4 C[C@H]1COC[C@@H](C)N1 38385 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.4 C[C@H]1COC[C@H](C)N1 77576 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.4 C[C@H]1COC[C@H](C)N1 S10555 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.4 C[C@H]1COC[C@H](C)N1 S12093 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.4 NC1COCC(O)C1 91463 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10768 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.4 N[C@@H]1CCC[C@H](O)C1 C14447 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.4 N[C@@H]1CCC[C@H](O)C1 F11498 [0,1,0,1,0,0|1,0,0]=3 534 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P15640 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.4 N[C@H]1CCC[C@H](F)C1 72992 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.4 N[C@H]1CCC[C@H](N)C1 T70693 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.4 N[C@H]1CCC[C@H](O)C1 P15600 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.4 N[C@H]1CCC[C@H](O)C1 P17839 [0,1,0,1,0,0|1,0,0]=3 539 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.4 O[C@H]1CCC[C@@H](O)C1 T71365 [0,1,0,1,0,0|1,0,0]=3 542 B8R1.4 O[C@H]1CCC[C@H](O)C1 T71051 [0,1,0,1,0,0|1,0,0]=3 543 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [0,1,0,1,0,0|1,0,1]=4 544 B8R1.31 CC1NCC1C(=O)O P14366 [0,1,0,1,0,0|1,0,1]=4 545 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [0,1,0,1,0,0|1,0,1]=4 546 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [0,1,0,1,0,0|1,0,1]=4 547 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [0,1,0,1,0,0|1,0,1]=4 548 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [0,1,0,1,0,0|1,0,1]=4 549 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [0,1,0,1,0,0|1,0,1]=4 550 B8R1.34 CC(=O)CC1CCC1 D79207 [0,1,0,1,0,0|0,0,2]=4 551 B8R1.34 N=C(N)CC1CCC1 33747 [0,1,0,1,0,0|1,0,1]=4 552 B8R1.34 O=C(O)CC1CNC1 37024 [0,1,0,1,0,0|1,0,1]=4 553 B8R1.34 O=C(O)CC1COC1 66388 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.34 O=C(O)CN1CCC1 55159 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.42 CC(C)CC1(N)CC1 F14584 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.43 O=C(O)C1CC1CCl D85971 [0,1,0,1,0,0|1,0,1]=4 557 B8R1.43 O=C(O)[C@H]1C[C@@H]1CCl P19534 [0,1,0,1,0,0|1,0,1]=4 558 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,1,0,1,0,0|0,0,2]=4 559 B8R1.51 CC1(C)CC[C@H](N)C1 P16857 [0,1,0,1,0,0|1,0,0]=3 560 B8R1.51 N[C@H]1CCC(F)(F)C1 80165 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.51 O=S1(=O)CC[C@H](O)C1 F14685 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.53 CC1(C)CC(CBr)C1 P12135 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.53 CC1(C)CC(CO)C1 P12134 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.53 CNC1CC(F)(F)C1 72946 [0,1,0,1,0,0|2,0,0]=4 565 B8R1.53 FC1(F)CC(CCl)C1 P12627 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.53 FC1(F)CC(CI)C1 P14074 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.62 NC1(CO)CC(F)C1 P15050 [0,1,0,1,0,0|2,0,0]=4 568 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.2 BrC[C@H]1CCCOC1 38662 [0,1,0,1,0,0|1,0,0]=3 570 B8R1.2 C#CC1CCNCC1 P12507 [0,1,0,1,0,0|1,0,1]=4 571 B8R1.2 C#CC1CCOCC1 37550 [0,1,0,1,0,0|0,0,1]=3 572 B8R1.2 CCC1CCNCC1 W10090 [0,1,0,1,0,0|1,0,0]=3 573 B8R1.2 CC[C@H]1CCCCN1 Y10457 [0,1,0,1,0,0|1,0,0]=3 574 B8R1.2 CC[C@H]1CNCCN1 28366 [0,1,0,1,0,0|1,0,0]=3 575 B8R1.2 CC[C@H]1CNCCN1 I11833 [0,1,0,1,0,0|1,0,0]=3 576 B8R1.2 CC[C@H]1COCCN1 F17630 [0,1,0,1,0,0|0,0,0]=2 577 B8R1.2 CC[C@H]1COCCN1 FD6008 [0,1,0,1,0,0|0,0,0]=2 578 B8R1.2 CNC1CCNCC1 Y10435 [0,1,0,1,0,0|1,0,0]=3 579 B8R1.2 CNC1CCSCC1 D93432 [0,1,0,1,0,0|0,1,0]=3 580 B8R1.2 ClCC1CCNCC1 P17439 [0,1,0,1,0,0|1,0,0]=3 581 B8R1.2 ClCC1CCOCC1 C77585 [0,1,0,1,0,0|0,0,0]=2 582 B8R1.2 ClC[C@H]1CCCCN1 87776 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.2 FCC1CCNCC1 F10330 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.2 FC[C@H]1CCCNC1 24250 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.2 ICC1CCCCC1 AC1131 [0,1,0,1,0,0|1,0,0]=3 586 B8R1.2 IC[C@H]1CCCCO1 P19885 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.2 IC[C@H]1CCCOC1 P20725 [0,1,0,1,0,0|1,0,0]=3 588 B8R1.2 N#CC1CCSCC1 29706 [0,1,0,1,0,0|0,1,1]=4 589 B8R1.2 N#C[C@@H]1COCCN1 F17609 [0,1,0,1,0,0|1,0,1]=4 590 B8R1.2 NCC1CCSCC1 P11855 [0,1,0,1,0,0|0,1,0]=3 591 B8R1.2 NCC1CCSCC1 P17457 [0,1,0,1,0,0|0,1,0]=3 592 B8R1.2 NC[C@H]1CCCOC1 SC1491 [0,1,0,1,0,0|1,0,0]=3 593 B8R1.2 NC[C@H]1COCCO1 39092 [0,1,0,1,0,0|1,0,0]=3 594 B8R1.2 NC[C@H]1COCCO1 39093 [0,1,0,1,0,0|1,0,0]=3 595 B8R1.2 NNC1CCNCC1 BL010349 [0,1,0,1,0,0|2,0,0]=4 596 B8R1.2 NNC1CCOCC1 F51905 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.2 NNC1CCSCC1 BL010348 [0,1,0,1,0,0|1,1,0]=4 598 B8R1.2 NN[C@H]1CCCOC1 P17922 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.2 O=C[C@@H]1COCCO1 D78647 [0,1,0,1,0,0|1,0,1]=4 600 B8R1.2 O=C[C@H]1CCCOC1 79874 [0,1,0,1,0,0|1,0,1]=4 601 B8R1.2 O=NN1CCOCC1 T72681 [0,1,0,1,0,0|2,0,0]=4 602 B8R1.2 OC[C@H]1CCCNC1 36372 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.2 OC[C@H]1CCCNC1 F14592 [0,1,0,1,0,0|2,0,0]=4 604 B8R1.2 OC[C@H]1CCCNC1 H10949 [0,1,0,1,0,0|2,0,0]=4 605 B8R1.2 OC[C@H]1CCCOC1 38674 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.2 OC[C@H]1CNCCN1 C14871 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.2 OC[C@H]1CNCCN1 I11571 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.2 OC[C@H]1CNCCO1 25692 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.2 OC[C@H]1CNCCO1 SC3851 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.2 OC[C@H]1COCCN1 25689 [0,1,0,1,0,0|1,0,0]=3 611 B8R1.2 OC[C@H]1COCCN1 26203 [0,1,0,1,0,0|1,0,0]=3 612 B8R1.2 OC[C@H]1COCCN1 P15853 [0,1,0,1,0,0|1,0,0]=3 613 B8R1.2 OC[C@H]1COCCO1 Y10090 [0,1,0,1,0,0|1,0,0]=3 614 B8R1.2 OC[C@H]1COCCO1 Y10091 [0,1,0,1,0,0|1,0,0]=3 615 B8R1.2 [C-]#[N+]C1CCOCC1 AC9405 [0,1,0,1,0,0|0,0,1]=3 616 B8R1.3 CC1CCC(O)CC1 D73186 [0,1,0,1,0,0|0,0,0]=2 617 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,1,0,1,0,0|0,0,2]=4 618 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,1,0,1,0,0|0,0,0]=2 619 B8R1.3 C[C@H]1CN[C@@H](C)CN1 38272 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.3 C[C@H]1CN[C@@H](C)CN1 W12505 [0,1,0,1,0,0|2,0,0]=4 621 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.3 Cl[C@H]1CC[C@H](Cl)CC1 T70403 [0,1,0,1,0,0|2,0,0]=4 623 B8R1.3 NC1CCC(Br)CC1 FD10595 [0,1,0,1,0,0|2,0,0]=4 624 B8R1.3 N[C@H]1CC[C@@H](F)CC1 72603 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.3 N[C@H]1CC[C@@H](N)CC1 T70349 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.3 O=C1CCC(F)CC1 23163 [0,1,0,1,0,0|1,0,1]=4 627 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,1,0,1,0,0|1,0,1]=4 628 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,1,0,1,0,0|1,0,1]=4 629 B8R1.3 OC1CCC(F)CC1 P13200 [0,1,0,1,0,0|1,0,0]=3 630 B8R1.5 CC1CCNCC1O 38882 [0,1,0,1,0,0|1,0,0]=3 631 B8R1.5 CC1CNCCC1O 20765 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.5 CC1CNCCC1O 33365 [0,1,0,1,0,0|2,0,0]=4 633 B8R1.5 CC1COCCC1N 33469 [0,1,0,1,0,0|1,0,0]=3 634 B8R1.5 CC1NCCOC1C F12405 [0,1,0,1,0,0|0,0,0]=2 635 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [0,1,0,1,0,0|1,0,0]=3 636 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [0,1,0,1,0,0|1,0,0]=3 637 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [0,1,0,1,0,0|1,0,0]=3 638 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,1,0,1,0,0|1,0,1]=4 639 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,1,0,1,0,0|1,0,1]=4 640 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,1,0,1,0,0|1,0,1]=4 642 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [0,1,0,1,0,0|1,0,0]=3 643 B8R1.5 C[C@H]1CNCCN1C 37822 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.5 C[C@H]1CNCCN1C P11245 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.5 C[C@H]1CNCCN1C Y10614 [0,1,0,1,0,0|2,0,0]=4 646 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [0,1,0,1,0,0|2,0,0]=4 647 B8R1.5 C[C@H]1COCCC1=O 27832 [0,1,0,1,0,0|1,0,1]=4 648 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [0,1,0,1,0,0|1,0,0]=3 649 B8R1.5 NC1CCOCC1O P16839 [0,1,0,1,0,0|1,0,0]=3 650 B8R1.5 N[C@@H]1CCOC[C@@H]1F P14573 [0,1,0,1,0,0|1,0,0]=3 651 B8R1.5 N[C@@H]1CCOC[C@@H]1O P14531 [0,1,0,1,0,0|1,0,0]=3 652 B8R1.5 N[C@@H]1CCOC[C@@H]1O P19745 [0,1,0,1,0,0|1,0,0]=3 653 B8R1.5 N[C@@H]1COCC[C@@H]1O P16186 [0,1,0,1,0,0|1,0,0]=3 654 B8R1.5 N[C@H]1CCCC[C@@H]1F 72976 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.5 N[C@H]1CCCC[C@@H]1F D79011 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.5 N[C@H]1CCCC[C@@H]1F P18297 [0,1,0,1,0,0|2,0,0]=4 657 B8R1.5 N[C@H]1CCCC[C@@H]1N 47900 [0,1,0,1,0,0|2,0,0]=4 658 B8R1.5 N[C@H]1CCCC[C@H]1N A11421 [0,1,0,1,0,0|2,0,0]=4 659 B8R1.5 N[C@H]1CCOC[C@@H]1F P14548 [0,1,0,1,0,0|1,0,0]=3 660 B8R1.5 N[C@H]1CCOC[C@@H]1F P14593 [0,1,0,1,0,0|1,0,0]=3 661 B8R1.5 N[C@H]1CCOC[C@@H]1O 38664 [0,1,0,1,0,0|1,0,0]=3 662 B8R1.5 N[C@H]1CCOC[C@@H]1O 39432 [0,1,0,1,0,0|1,0,0]=3 663 B8R1.5 N[C@H]1CCOC[C@@H]1O 39433 [0,1,0,1,0,0|1,0,0]=3 664 B8R1.5 N[C@H]1COCC[C@@H]1F P21120 [0,1,0,1,0,0|1,0,0]=3 665 B8R1.5 N[C@H]1COCC[C@@H]1O P14664 [0,1,0,1,0,0|1,0,0]=3 666 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [0,1,0,1,0,0|1,0,1]=4 667 B8R1.5 OC1CCOCC1F P14713 [0,1,0,1,0,0|1,0,0]=3 668 B8R1.5 O[C@@H]1CCNC[C@@H]1F 37699 [0,1,0,1,0,0|2,0,0]=4 669 B8R1.5 O[C@@H]1CCNC[C@@H]1F 39257 [0,1,0,1,0,0|2,0,0]=4 670 B8R1.5 O[C@@H]1CCNC[C@@H]1F P15698 [0,1,0,1,0,0|2,0,0]=4 671 B8R1.5 O[C@H]1CCCC[C@@H]1O C14127 [0,1,0,1,0,0|2,0,0]=4 672 B8R1.5 O[C@H]1CCNC[C@@H]1F 37698 [0,1,0,1,0,0|2,0,0]=4 673 B8R1.5 O[C@H]1CCNC[C@@H]1F P13776 [0,1,0,1,0,0|2,0,0]=4 674 B8R1.5 O[C@H]1CCNC[C@@H]1O P10847 [0,1,0,1,0,0|2,0,0]=4 675 B8R1.5 O[C@H]1CCNC[C@@H]1O P17759 [0,1,0,1,0,0|2,0,0]=4 676 B8R1.5 O[C@H]1CNCC[C@@H]1F P14517 [0,1,0,1,0,0|2,0,0]=4 677 B8R1.5 O[C@H]1CNCC[C@H]1O P15637 [0,1,0,1,0,0|2,0,0]=4 678 B8R1.10 CCOCC1CNC1 D84845 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.10 OCCCC1COC1 89590 [0,1,0,1,0,0|1,0,0]=3 680 B8R1.10 OCCCN1CCC1 70850 [0,1,0,1,0,0|1,0,0]=3 681 B8R1.22 BrC1CCCCCC1 F53566 [0,1,0,1,0,0|2,0,0]=4 682 B8R1.22 CC1CNCCNC1 70848 [0,1,0,1,0,0|2,0,0]=4 683 B8R1.22 C[C@H]1CCCCCN1 D79537 [0,1,0,1,0,0|1,0,0]=3 684 B8R1.22 C[C@H]1CCCCCN1 D79538 [0,1,0,1,0,0|1,0,0]=3 685 B8R1.22 C[C@H]1CCCCCN1 W10101 [0,1,0,1,0,0|1,0,0]=3 686 B8R1.22 C[C@H]1CCCCNC1 72971 [0,1,0,1,0,0|1,0,0]=3 687 B8R1.22 C[C@H]1CCNCCN1 70847 [0,1,0,1,0,0|1,0,0]=3 688 B8R1.22 C[C@H]1CNCCCO1 72856 [0,1,0,1,0,0|2,0,0]=4 689 B8R1.22 C[C@H]1CNCCOC1 73160 [0,1,0,1,0,0|2,0,0]=4 690 B8R1.22 N[C@H]1CCCNCC1 36658 [0,1,0,1,0,0|2,0,0]=4 691 B8R1.22 O=C1CCCOCC1 P12770 [0,1,0,1,0,0|1,0,1]=4 692 B8R1.38 CCC(=O)C1COC1 D79147 [0,1,0,1,0,0|1,0,1]=4 693 B8R1.38 CC[C@H](O)C1COC1 P20426 [0,1,0,1,0,0|1,0,0]=3 694 B8R1.38 CO[C@@H](C)C1CNC1 F20233 [0,1,0,1,0,0|2,0,0]=4 695 B8R1.41 CC1(CCCO)N=N1 F18366 [0,1,0,1,0,0|2,0,0]=4 696 B8R1.47 CCN1CC(CN)C1 P13012 [0,1,0,1,0,0|2,0,0]=4 697 B8R1.47 COC1CC(CN)C1 P19107 [0,1,0,1,0,0|1,0,0]=3 698 B8R1.47 COC1CC(CO)C1 P20964 [0,1,0,1,0,0|1,0,0]=3 699 B8R1.47 CO[C@H]1C[C@@H](CN)C1 P17262 [0,1,0,1,0,0|1,0,0]=3 700 B8R1.47 CO[C@H]1C[C@H](CN)C1 P17705 [0,1,0,1,0,0|1,0,0]=3 701 B8R1.47 N#CC1CC(CO)C1 D95192 [0,1,0,1,0,0|1,0,1]=4 702 B8R1.47 NCC1CC(CO)C1 P14791 [0,1,0,1,0,0|1,0,0]=3 703 B8R1.47 OCC1CC(CO)C1 P19528 [0,1,0,1,0,0|1,0,0]=3 704 B8R1.47 OC[C@@H]1C[C@H](CO)N1 P20757 [0,1,0,1,0,0|1,0,0]=3 705 B8R1.50 OC1OC[C@@H](O)[C@@H]1O T73097 [0,1,0,1,0,0|2,0,0]=4 706 B8R1.52 C#C[C@]1(O)CCOC1 P12903 [0,1,0,1,0,0|0,0,2]=4 707 B8R1.52 CC1(CN)CCCC1 72592 [0,1,0,1,0,0|2,0,0]=4 708 B8R1.52 CC1(CO)CCCC1 90940 [0,1,0,1,0,0|2,0,0]=4 709 B8R1.52 C[C@]1(CN)CCCO1 P18524 [0,1,0,1,0,0|1,0,0]=3 710 B8R1.52 C[C@]1(CN)CCNC1 38021 [0,1,0,1,0,0|2,0,0]=4 711 B8R1.52 C[C@]1(CN)CCOC1 38929 [0,1,0,1,0,0|1,0,0]=3 712 B8R1.52 C[C@]1(CO)CCCN1 38943 [0,1,0,1,0,0|2,0,0]=4 713 B8R1.52 C[C@]1(CO)CCNC1 73010 [0,1,0,1,0,0|2,0,0]=4 714 B8R1.52 C[C@]1(CO)CCOC1 P13013 [0,1,0,1,0,0|1,0,0]=3 715 B8R1.52 NCC1(O)CCCC1 37961 [0,1,0,1,0,0|2,0,0]=4 716 B8R1.52 N[C@@]1(CO)CCOC1 P12315 [0,1,0,1,0,0|1,0,0]=3 717 B8R1.52 OC[C@]1(F)CCNC1 73170 [0,1,0,1,0,0|2,0,0]=4 718 B8R1.52 OC[C@]1(O)CCNC1 P16014 [0,1,0,1,0,0|2,0,0]=4 719 B8R1.52 O[C@@]1(CF)CCNC1 37759 [0,1,0,1,0,0|2,0,0]=4 720 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [0,1,0,1,0,0|0,0,1]=3 721 B8R1.7 CC(C)[C@@H]1CCCN1 P15226 [0,1,0,1,0,0|2,0,0]=4 722 B8R1.7 CC(C)[C@@H]1CCCN1 P15234 [0,1,0,1,0,0|2,0,0]=4 723 B8R1.7 CC(C)[C@H]1CCNC1 P15823 [0,1,0,1,0,0|1,0,0]=3 724 B8R1.7 CC(C)[C@H]1CCNC1 P17781 [0,1,0,1,0,0|1,0,0]=3 725 B8R1.7 CN(C)[C@H]1CCNC1 68459 [0,1,0,1,0,0|2,0,0]=4 726 B8R1.7 C[C@H](N)C1CCCC1 66137 [0,1,0,1,0,0|1,0,0]=3 727 B8R1.7 C[C@H](N)C1CCCC1 83604 [0,1,0,1,0,0|1,0,0]=3 728 B8R1.7 FC(F)[C@H]1CCNC1 P19957 [0,1,0,1,0,0|2,0,0]=4 729 B8R1.7 FC(F)[C@H]1CCNC1 P19958 [0,1,0,1,0,0|2,0,0]=4 730 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [0,1,0,1,0,0|1,0,1]=4 731 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [0,1,0,1,0,0|1,0,1]=4 732 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [0,1,0,1,0,0|1,0,1]=4 733 B8R1.19 CC1(C)CCC[C@@H]1O D79630 [0,1,0,1,0,0|2,0,0]=4 734 B8R1.19 CC1(C)CCC[C@@H]1O D79631 [0,1,0,1,0,0|2,0,0]=4 735 B8R1.19 CC1(C)OCCC1=O P18857 [0,1,0,1,0,0|1,0,1]=4 736 B8R1.19 C[C@@H]1COC[C@]1(C)O 73229 [0,1,0,1,0,0|2,0,0]=4 737 B8R1.19 C[C@]1(O)CCC[C@@H]1N D79341 [0,1,0,1,0,0|2,0,0]=4 738 B8R1.23 CC(C)N1CC(N)C1 37842 [0,1,0,1,0,0|2,0,0]=4 739 B8R1.23 CC(C)N1CC(O)C1 37460 [0,1,0,1,0,0|1,0,0]=3 740 B8R1.23 CN(C)C1CC(N)C1 P18340 [0,1,0,1,0,0|2,0,0]=4 741 B8R1.23 CN(C)C1CC(O)C1 P16011 [0,1,0,1,0,0|1,0,0]=3 742 B8R1.23 CN(C)[C@H]1C[C@@H](N)C1 P19701 [0,1,0,1,0,0|2,0,0]=4 743 B8R1.24 CC1(C)C(N)CC1O P14117 [0,1,0,1,0,0|1,0,0]=3 744 B8R1.24 CC1(C)C(N)CC1O W11253 [0,1,0,1,0,0|1,0,0]=3 745 B8R1.27 CNC[C@H]1CC1(C)C F20110 [0,1,0,1,0,0|2,0,0]=4 746 B8R1.27 OCC[C@H]1CC1(F)F P12233 [0,1,0,1,0,0|1,0,0]=3 747 B8R1.37 CCOC(=O)[C@@H]1CO1 20558 [0,1,0,1,0,0|1,0,1]=4 748 B8R1.37 COC[C@H](N)C1CC1 D87133 [0,1,0,1,0,0|2,0,0]=4 749 B8R1.78 CC(N)C1(C)COC1 P17278 [0,1,0,1,0,0|2,0,0]=4 750 B8R1.78 C[C@@]1(C(=O)O)CCO1 P18488 [0,1,0,1,0,0|1,0,1]=4 751 B8R1.6 CCCC1CC(=O)C1 D96728 [0,1,0,1,0,0|0,0,2]=4 752 B8R1.6 CCNC1CN(C)C1 38279 [0,1,0,1,0,0|2,0,0]=4 753 B8R1.6 CCOC1CC(N)C1 P13631 [0,1,0,1,0,0|1,0,0]=3 754 B8R1.6 CCO[C@H]1C[C@@H](N)C1 P13633 [0,1,0,1,0,0|1,0,0]=3 755 B8R1.6 CN1CC(CCN)C1 33440 [0,1,0,1,0,0|1,0,0]=3 756 B8R1.6 CN1CC(CCO)C1 37197 [0,1,0,1,0,0|0,0,0]=2 757 B8R1.6 COCC1CC(N)C1 P11795 [0,1,0,1,0,0|1,0,0]=3 758 B8R1.6 COCC1CC(N)C1 P18332 [0,1,0,1,0,0|1,0,0]=3 759 B8R1.6 COC[C@H]1C[C@H](N)C1 D79066 [0,1,0,1,0,0|1,0,0]=3 760 B8R1.6 NCCN1CC(O)C1 AC3487 [0,1,0,1,0,0|1,0,0]=3 761 B8R1.6 OCCN1CC(F)C1 D79128 [0,1,0,1,0,0|1,0,0]=3 762 B8R1.8 BrCCC1CCCC1 C78009 [0,1,0,1,0,0|1,0,0]=3 763 B8R1.8 C=CC[C@H]1CCCN1 N16954 [0,1,0,1,0,0|1,0,1]=4 764 B8R1.8 CCN[C@H]1CCNC1 T72394 [0,1,0,1,0,0|1,0,0]=3 765 B8R1.8 CCN[C@H]1CCOC1 F14260 [0,1,0,1,0,0|0,0,0]=2 766 B8R1.8 CCO[C@H]1CCNC1 P10149 [0,1,0,1,0,0|1,0,0]=3 767 B8R1.8 CNC[C@H]1CCCN1 P18036 [0,1,0,1,0,0|2,0,0]=4 768 B8R1.8 COC[C@H]1CCCN1 11152 [0,1,0,1,0,0|2,0,0]=4 769 B8R1.8 COC[C@H]1CCCN1 11153 [0,1,0,1,0,0|2,0,0]=4 770 B8R1.8 COC[C@H]1CCCN1 71289 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.8 COC[C@H]1CCNC1 72010 [0,1,0,1,0,0|1,0,0]=3 772 B8R1.8 COC[C@H]1CCNC1 P10622 [0,1,0,1,0,0|1,0,0]=3 773 B8R1.8 COC[C@H]1CCNC1 P12588 [0,1,0,1,0,0|1,0,0]=3 774 B8R1.8 COC[C@H]1CCNC1 P15249 [0,1,0,1,0,0|1,0,0]=3 775 B8R1.8 COC[C@H]1CCNC1 P15255 [0,1,0,1,0,0|1,0,0]=3 776 B8R1.8 ClCCC1CCCC1 AC1057 [0,1,0,1,0,0|1,0,0]=3 777 B8R1.8 NCCC1OCCO1 T71082 [0,1,0,1,0,0|2,0,0]=4 778 B8R1.8 NNCC1CCCC1 P11240 [0,1,0,1,0,0|2,0,0]=4 779 B8R1.8 O=CCC1CCCC1 F11683 [0,1,0,1,0,0|0,0,2]=4 780 B8R1.8 OCCC1OCCO1 W16263 [0,1,0,1,0,0|1,0,0]=3 781 B8R1.8 OCC[C@H]1CCCN1 50275 [0,1,0,1,0,0|0,0,0]=2 782 B8R1.8 OCC[C@H]1CCCN1 62964 [0,1,0,1,0,0|0,0,0]=2 783 B8R1.11 CN1CCC[C@@H]1CBr N13118 [0,1,0,1,0,0|2,0,0]=4 784 B8R1.11 CN1CCC[C@@H]1CCl D83790 [0,1,0,1,0,0|2,0,0]=4 785 B8R1.11 CN1CCC[C@@H]1CN 39178 [0,1,0,1,0,0|2,0,0]=4 786 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [0,1,0,1,0,0|2,0,0]=4 787 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [0,1,0,1,0,0|2,0,0]=4 788 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [0,1,0,1,0,0|2,0,0]=4 789 B8R1.11 CO[C@H]1CNC[C@@H]1F 38828 [0,1,0,1,0,0|2,0,0]=4 790 B8R1.11 CO[C@H]1CNC[C@@H]1O 38826 [0,1,0,1,0,0|2,0,0]=4 791 B8R1.11 CO[C@H]1CNC[C@@H]1O P14110 [0,1,0,1,0,0|2,0,0]=4 792 B8R1.11 CO[C@H]1CNC[C@H]1O P17936 [0,1,0,1,0,0|2,0,0]=4 793 B8R1.11 C[C@H]1CNC[C@@H]1CO C77269 [0,1,0,1,0,0|0,0,0]=2 794 B8R1.11 NCC1CCCC1N F20645 [0,1,0,1,0,0|2,0,0]=4 795 B8R1.11 NC[C@@H]1COC[C@@H]1O P14613 [0,1,0,1,0,0|1,0,0]=3 796 B8R1.11 NC[C@H]1COC[C@@H]1O P14625 [0,1,0,1,0,0|1,0,0]=3 797 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,1,0,1,0,0|1,0,1]=4 798 B8R1.11 O=C1NCC[C@@H]1CO P12214 [0,1,0,1,0,0|1,0,1]=4 799 B8R1.11 OCC1CNCC1O 73097 [0,1,0,1,0,0|1,0,0]=3 800 B8R1.66 CC1(CC#N)COC1 81712 [0,1,0,1,0,0|1,0,1]=4 801 B8R1.66 COCC1(N)CCC1 C77610 [0,1,0,1,0,0|2,0,0]=4 802 B8R1.66 N#CCC1(N)CCC1 F51977 [0,1,0,1,0,0|1,0,1]=4 803 B8R1.66 N#CCC1(O)CCC1 AC3670 [0,1,0,1,0,0|1,0,1]=4 804 B8R1.66 NC1(CCO)CCC1 F51938 [0,1,0,1,0,0|0,0,0]=2 805 B8R1.66 NC1(CCO)COC1 39014 [0,1,0,1,0,0|1,0,0]=3 806 B8R1.66 NC1(CCO)COC1 P19108 [0,1,0,1,0,0|1,0,0]=3 807 B8R1.66 NCCC1(O)COC1 D79127 [0,1,0,1,0,0|2,0,0]=4 808 B8R1.66 OCCC1(O)CCC1 F30304 [0,1,0,1,0,0|0,0,0]=2 809 B8R1.66 OCCC1(O)COC1 P18341 [0,1,0,1,0,0|1,0,0]=3 810 B8R1.12 OC[C@H]1CC[C@H]1CO W19717 [0,1,0,1,0,0|0,0,0]=2 811 B8R1.48 NC[C@H]1CCC1(F)F P13855 [0,1,0,1,0,0|2,0,0]=4 812 B8R1.72 CC1(Br)CCCCC1 P19508 [0,1,0,1,0,0|1,0,0]=3 813 B8R1.72 CC1(Br)CCOCC1 AC1905 [0,1,0,1,0,0|0,0,0]=2 814 B8R1.72 CC1(F)CCNCC1 72921 [0,1,0,1,0,0|1,0,0]=3 815 B8R1.72 CC1(N)CCNCC1 F30991 [0,1,0,1,0,0|1,0,0]=3 816 B8R1.72 CC1(N)CCOCC1 P16590 [0,1,0,1,0,0|0,0,0]=2 817 B8R1.72 CC1(O)CCOCC1 69121 [0,1,0,1,0,0|0,0,0]=2 818 B8R1.72 CC1(O)CCSCC1 C74963 [0,1,0,1,0,0|0,1,0]=3 819 B8R1.72 C[C@]1(O)CCCNC1 37167 [0,1,0,1,0,0|2,0,0]=4 820 B8R1.72 C[C@]1(O)CCCNC1 P18955 [0,1,0,1,0,0|2,0,0]=4 821 B8R1.72 C[C@]1(O)CCCNC1 Y10737 [0,1,0,1,0,0|2,0,0]=4 822 B8R1.72 C[N+]1(C)CCOCC1 AB10337 [0,1,0,1,0,0|1,0,0]=3 823 B8R1.72 C[Si]1(C)CCNCC1 P12584 [0,1,0,1,0,0|1,1,0]=4 824 B8R1.72 FC1(F)CCNCC1 32752 [0,1,0,1,0,0|2,0,0]=4 825 B8R1.82 COC1(CCN)CC1 P18937 [0,1,0,1,0,0|1,0,0]=3 826 B8R1.82 N#CC1(CCO)CC1 F30354 [0,1,0,1,0,0|0,0,1]=3 827 B8R1.60 BrCC1(CBr)CCC1 AT23626 [0,1,0,1,0,0|2,0,0]=4 828 B8R1.60 CCC1(CN)COC1 32774 [0,1,0,1,0,0|2,0,0]=4 829 B8R1.60 NCC1(CN)CCC1 P12533 [0,1,0,1,0,0|2,0,0]=4 830 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 W12506 [0,0,0,2,0,0|1,0,0]=3 831 B8R2.22 C1CC2CNC2C1 D78832 [0,0,0,2,0,0|2,0,0]=4 832 B8R2.34 C1CC2CC1CN2 D73537 [0,0,0,2,0,0|1,0,0]=3 833 B8R2.34 C1CC2CC1CN2 P10332 [0,0,0,2,0,0|1,0,0]=3 834 B8R2.34 C1CC2CCC1C2 F16610 [0,0,0,2,0,0|1,0,0]=3 835 B8R2.34 C1CC2CCC1N2 39142 [0,0,0,2,0,0|2,0,0]=4 836 B8R2.34 C1OC2CNC1C2 CS1881 [0,0,0,2,0,0|1,0,0]=3 837 B8R2.34 C1OC2CNC1C2 SC1961 [0,0,0,2,0,0|1,0,0]=3 838 B8R2.34 C1O[C@@H]2CN[C@H]1C2 38911 [0,0,0,2,0,0|1,0,0]=3 839 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12383 [0,0,0,2,0,0|1,0,0]=3 840 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P14495 [0,0,0,2,0,0|1,0,0]=3 841 B8R2.55 C1CC2(CC2)CN1 80452 [0,0,0,2,0,0|1,0,0]=3 842 B8R2.55 C1CC2(CC2)CN1 P11718 [0,0,0,2,0,0|1,0,0]=3 843 B8R2.55 C1CNC2(C1)CC2 AT12544 [0,0,0,2,0,0|2,0,0]=4 844 B8R2.18 O=C1CC2CC2C1 W10830 [0,0,0,2,0,0|0,0,2]=4 845 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,2,0,0|0,0,2]=4 846 B8R2.38 O=C1CCC2OC12 60057 [0,0,0,2,0,0|1,0,1]=4 847 B8R2.25 C1CNC2CC2C1 70876 [0,0,0,2,0,0|2,0,0]=4 848 B8R2.42 C1CC2(C1)CCN2 38572 [0,0,0,2,0,0|1,0,0]=3 849 B8R2.42 C1CC2(C1)CCN2 83734 [0,0,0,2,0,0|1,0,0]=3 850 B8R2.42 C1CC2(C1)CNC2 54112 [0,0,0,2,0,0|2,0,0]=4 851 B8R2.42 C1CC2(C1)CNC2 P11104 [0,0,0,2,0,0|2,0,0]=4 852 B8R2.42 C1CC2(CNC2)O1 32913 [0,0,0,2,0,0|1,0,0]=3 853 B8R2.42 C1CC2(CNC2)O1 38563 [0,0,0,2,0,0|1,0,0]=3 854 B8R2.42 C1CC2(COC2)N1 38573 [0,0,0,2,0,0|2,0,0]=4 855 B8R2.19 O[C@H]1CCC12CC2 D96738 [0,0,0,2,0,0|2,0,0]=4 856 B8R2.31 CNC12CC(C1)C2 P19611 [0,0,0,2,0,0|2,0,0]=4 857 B8R2.53 O=C1CC2(CC2)C1 N13186 [0,0,0,2,0,0|0,0,2]=4 858 B8R2.41 OC1(C2CC2)CC1 93226 [0,0,0,2,0,0|2,0,0]=4