0 B5R0.3 C=C(C#N)CO W19656 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C=C[C@@H](N)CO 52208 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 C=C[C@@H](N)CO 52209 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 C=C[C@@H](N)CO 52211 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 C=C[C@@H](O)CO 56500 [0,0,0,0,0,0|1,1,1]=3 5 B5R0.3 CCC(=O)CN S11993 [0,0,0,0,0,0|2,1,1]=4 6 B5R0.3 CC[C@H](C)CN 88665 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 CC[C@H](N)C#N 98383 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 CC[PH](=O)CC C77650 [0,0,0,0,0,0|3,1,0]=4 9 B5R0.3 CN[C@@H](C)CO AC8719 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.3 CN[C@@H](C)CO C77593 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.3 CN[C@@H](C)CO D80042 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.3 CN[C@@H](C)CO D80344 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.3 CN[C@@H](C)CO D82586 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.3 CO[C@@H](C)CN 91001 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.3 CO[C@@H](C)CO 91002 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.3 C[C@@H](CN)CCl 72948 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.3 C[C@@H](CO)CBr AB3182 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.3 FCC(I)CF AC4509 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.3 NC[C@H](Br)CBr AC1488 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.3 NC[C@H](F)CO 94841 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.3 NC[C@H](F)CO 94845 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.3 NC[C@H](F)CO 94846 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.3 NC[C@H](O)CCl C10413 [0,0,0,0,0,0|2,1,0]=3 24 B5R0.3 NC[C@H](O)CF 94771 [0,0,0,0,0,0|2,1,0]=3 25 B5R0.3 OC[C@H](O)CF 65949 [0,0,0,0,0,0|1,1,0]=2 26 B5R0.3 OC[C@H](O)CF F14582 [0,0,0,0,0,0|1,1,0]=2 27 B4R0.1 C#C[C@H](C)N AB1311 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 C#C[C@H](C)N F31055 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C=C[C@H](C)N 81150 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 C=C[C@H](C)N C77628 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 C=C[C@H](C)N N11410 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 CC(C)CBr P19652 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 CC[C@H](C)N 74047 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 C[C@H](Br)CN F11189 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 C[C@H](Br)CO W17591 [1,0,0,0,0,0|1,0,0]=2 36 B4R0.1 C[C@H](Cl)CN Y14715 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 C[C@H](N)C#N I11084 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 C[C@H](N)CF AC1136 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 C[C@H](N)CF AC6177 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 N=C(N)CO 20678 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 NCC(=O)O A10882 [1,0,0,0,0,0|1,1,1]=4 42 B4R0.1 NCC(=O)O T72551 [1,0,0,0,0,0|1,1,1]=4 43 B4R0.1 NCC(F)F C16390 [1,0,0,0,0,0|3,0,0]=4 44 B4R0.2 BrCCCBr D77913 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.2 BrCOCBr AC2225 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.2 C#CCCCl C77663 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.2 C#CCCI AC1965 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.2 C#CCCN 31177 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.2 C#CCCN 68194 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.2 CCCCN T70838 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.2 COCCI A50601 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.2 CSCCN D73275 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.2 NCCCF 61303 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.2 NCCCN T70045 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.2 NCCCS A11074 [1,0,0,0,0,0|1,0,0]=2 56 B4R0.2 OCCCO D77845 [1,0,0,0,0,0|0,1,0]=2 57 B4R0.2 OCCCS D78398 [1,0,0,0,0,0|0,0,0]=1 58 B4R0.2 SCCCBr 77989 [1,0,0,0,0,0|1,0,0]=2 59 B6R0.1 C=CC[C@H](N)CO F16846 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.1 CCC[C@@H](Br)CC D78429 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.1 CCC[C@H](N)CO C13482 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.1 CCNC(=O)CO 79517 [0,1,0,0,0,0|1,1,1]=4 63 B6R0.1 CCO[C@@H](C)CO 91003 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.1 CC[C@H](S)CCO D84734 [0,1,0,0,0,0|1,0,0]=2 65 B6R0.1 COC[C@@H](O)CN 94767 [0,1,0,0,0,0|1,1,0]=3 66 B6R0.1 NCC[C@H](O)CO F51073 [0,1,0,0,0,0|1,1,0]=3 67 B6R0.1 N[C@H](CO)CCO AB10026 [0,1,0,0,0,0|1,1,0]=3 68 B6R0.1 N[C@H](CO)CCO AB10027 [0,1,0,0,0,0|1,1,0]=3 69 B6R0.1 N[C@H](CS)CCS F52529 [0,1,0,0,0,0|1,1,0]=3 70 B6R0.3 CC(C)[C@@H](C)CO D93394 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.3 CC[C@H](C)C(=O)O 88659 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [0,1,0,0,0,0|2,0,0]=3 73 B6R0.3 C[C@@H](CN)C(=O)O F15101 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.3 C[C@@H](CN)C(=O)O F15242 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [0,1,0,0,0,0|1,1,1]=4 76 B6R0.3 NC(=O)[C@@H](N)CO D75098 [0,1,0,0,0,0|1,1,1]=4 77 B6R0.3 NC[C@H](F)C(=O)O T73016 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.3 NC[C@H](O)C(=O)O O10173 [0,1,0,0,0,0|1,1,1]=4 79 B6R0.3 N[C@@H](CCl)C(=O)O FD21124 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.3 O=C(O)[C@@H](Br)CO A10085 [0,1,0,0,0,0|1,1,1]=4 81 B6R0.3 O=C(O)[C@@H](Br)CO AB19244 [0,1,0,0,0,0|1,1,1]=4 82 B6R0.3 O=C(O)[C@@H](O)CCl 84142 [0,1,0,0,0,0|1,1,1]=4 83 B6R0.3 O[C@@H](CBr)C(F)F AC5394 [0,1,0,0,0,0|2,1,0]=4 84 B6R0.8 C#CC(C)(C)CO 20986 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.8 CC(O)(CO)CO AC1642 [0,1,0,0,0,0|0,2,0]=3 86 B6R0.8 NCC(F)(F)CN 72850 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.8 NCC(F)(F)CO 74613 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.9 CCC(C#N)CC AC1599 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.9 CCC(CBr)CBr W17735 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.9 CC[C@@H](CN)CO Y13480 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.9 CO[C@@H](CN)CO P20679 [0,1,0,0,0,0|1,1,0]=3 92 B6R1.2 C[C@H]1CCNC1 69327 [0,0,0,1,0,0|3,0,0]=4 93 B6R1.2 C[C@H]1CCSC1 70016 [0,0,0,1,0,0|2,0,0]=3 94 B6R1.2 Cl[C@H]1CCNC1 W15835 [0,0,0,1,0,0|3,0,0]=4 95 B6R1.2 Cl[C@H]1CCOC1 N12419 [0,0,0,1,0,0|2,0,0]=3 96 B6R1.2 F[C@H]1CCNC1 P10396 [0,0,0,1,0,0|3,0,0]=4 97 B6R1.2 F[C@H]1CCNC1 P10397 [0,0,0,1,0,0|3,0,0]=4 98 B6R1.2 I[C@H]1CCOC1 37310 [0,0,0,1,0,0|2,0,0]=3 99 B6R1.2 I[C@H]1CCOC1 37311 [0,0,0,1,0,0|2,0,0]=3 100 B6R1.2 N[C@H]1CCSC1 70834 [0,0,0,1,0,0|2,0,0]=3 101 B6R1.2 O[C@H]1CCSC1 50208 [0,0,0,1,0,0|1,1,0]=3 102 B6R1.2 O[C@H]1CNOC1 31712 [0,0,0,1,0,0|1,1,0]=3 103 B6R1.4 CC1NCC1F P20228 [0,0,0,1,0,0|3,0,0]=4 104 B6R1.4 CC1OCC1O P16543 [0,0,0,1,0,0|1,1,0]=3 105 B6R1.4 C[C@@H]1OCC1=O P16003 [0,0,0,1,0,0|1,1,1]=4 106 B6R1.4 C[C@H]1NC[C@@H]1F P20392 [0,0,0,1,0,0|3,0,0]=4 107 B6R1.4 C[C@H]1NC[C@@H]1O D79131 [0,0,0,1,0,0|2,1,0]=4 108 B6R1.4 C[C@H]1NC[C@@H]1O P18430 [0,0,0,1,0,0|2,1,0]=4 109 B6R1.4 NC1CCC1F P20418 [0,0,0,1,0,0|3,0,0]=4 110 B6R1.4 NC1CCC1O 94999 [0,0,0,1,0,0|2,0,0]=3 111 B6R1.4 N[C@@H]1CC[C@@H]1O P18786 [0,0,0,1,0,0|2,0,0]=3 112 B6R1.4 OC1CCC1O D79179 [0,0,0,1,0,0|1,1,0]=3 113 B6R1.4 O[C@H]1CC[C@@H]1O P21043 [0,0,0,1,0,0|1,1,0]=3 114 B6R1.6 BrC[C@H]1CCO1 28585 [0,0,0,1,0,0|2,1,0]=4 115 B6R1.6 BrC[C@H]1CCO1 D97141 [0,0,0,1,0,0|2,1,0]=4 116 B6R1.6 BrC[C@H]1CCO1 P21121 [0,0,0,1,0,0|2,1,0]=4 117 B6R1.6 FCC1CNC1 86811 [0,0,0,1,0,0|3,0,0]=4 118 B6R1.6 N#CC1COC1 81313 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.6 NCC1CNC1 26899 [0,0,0,1,0,0|3,0,0]=4 120 B6R1.6 NC[C@H]1CCN1 20184 [0,0,0,1,0,0|3,0,0]=4 121 B6R1.6 NC[C@H]1CCO1 P20441 [0,0,0,1,0,0|2,1,0]=4 122 B6R1.6 NNC1COC1 BL010351 [0,0,0,1,0,0|3,0,0]=4 123 B6R1.6 NNC1CSC1 BL010352 [0,0,0,1,0,0|3,0,0]=4 124 B6R1.6 O=CC1COC1 84841 [0,0,0,1,0,0|1,1,1]=4 125 B6R1.6 OCC1CNC1 65945 [0,0,0,1,0,0|2,0,0]=3 126 B6R1.6 OC[C@H]1CCN1 36269 [0,0,0,1,0,0|2,0,0]=3 127 B6R1.6 OC[C@H]1CCN1 38353 [0,0,0,1,0,0|2,0,0]=3 128 B6R1.6 OC[C@H]1CCN1 38354 [0,0,0,1,0,0|2,0,0]=3 129 B6R1.6 OC[C@H]1CCO1 26540 [0,0,0,1,0,0|1,1,0]=3 130 B6R1.6 OC[C@H]1CCO1 AT10832 [0,0,0,1,0,0|1,1,0]=3 131 B6R1.6 OC[C@H]1CCO1 P19736 [0,0,0,1,0,0|1,1,0]=3 132 B6R1.7 CC1(CN)CC1 W10016 [0,0,0,1,0,0|3,0,0]=4 133 B6R1.7 CC1(CO)N=N1 F18398 [0,0,0,1,0,0|3,0,0]=4 134 B6R1.7 C[C@]1(CO)CO1 95575 [0,0,0,1,0,0|1,1,0]=3 135 B6R1.7 NC1(CF)CC1 72945 [0,0,0,1,0,0|3,0,0]=4 136 B6R1.7 NC1(CO)CC1 32781 [0,0,0,1,0,0|2,0,0]=3 137 B6R1.7 NCC1(O)CC1 AC3228 [0,0,0,1,0,0|2,1,0]=4 138 B6R1.7 OCC1(F)CC1 72692 [0,0,0,1,0,0|2,0,0]=3 139 B6R1.7 OCC1(O)CC1 72268 [0,0,0,1,0,0|1,1,0]=3 140 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [0,0,0,1,0,0|2,0,0]=3 141 B6R1.8 OC[C@H]1C[C@@H]1F CS3459 [0,0,0,1,0,0|2,0,0]=3 142 B3R0.1 CCNN D79778 [2,0,0,0,0,0|2,0,0]=4 143 B3R0.1 CCON C13232 [2,0,0,0,0,0|2,0,0]=4 144 B3R0.1 ClCCI T71139 [2,0,0,0,0,0|2,0,0]=4 145 B3R0.1 NCCN A12036 [2,0,0,0,0,0|2,0,0]=4 146 B3R0.1 NCCN T72722 [2,0,0,0,0,0|2,0,0]=4 147 B3R0.2 CC(Br)Br D78418 [2,0,0,0,0,0|2,0,0]=4 148 B3R0.2 C[13C](=O)O 41422 [2,0,0,0,0,0|0,1,1]=4 149 B3R0.2 C[S+](C)C AC2631 [2,0,0,0,0,0|2,0,0]=4 150 B3R0.2 [13CH3]C(=O)O 41421 [2,0,0,0,0,0|0,1,1]=4 151 B5R0.1 C=C(C)CON F31248 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.1 C=CC[C@H](C)O 71459 [1,1,0,0,0,0|1,1,0]=4 153 B5R0.1 C=CC[C@H](C)O A12634 [1,1,0,0,0,0|1,1,0]=4 154 B5R0.1 CCC[C@H](C)N P14575 [1,1,0,0,0,0|2,0,0]=4 155 B5R0.1 CCC[C@H](C)N Y10887 [1,1,0,0,0,0|2,0,0]=4 156 B5R0.1 CN(C)CCO D93012 [1,1,0,0,0,0|2,0,0]=4 157 B5R0.1 CNC[C@H](C)O AC1157 [1,1,0,0,0,0|1,1,0]=4 158 B5R0.1 CNC[C@H](C)O N12528 [1,1,0,0,0,0|1,1,0]=4 159 B5R0.1 COC[C@H](C)Br 78860 [1,1,0,0,0,0|1,0,0]=3 160 B5R0.1 COC[C@H](C)N 25526 [1,1,0,0,0,0|1,0,0]=3 161 B5R0.1 COC[C@H](C)N D95458 [1,1,0,0,0,0|1,0,0]=3 162 B5R0.1 COC[C@H](C)N W17998 [1,1,0,0,0,0|1,0,0]=3 163 B5R0.1 C[C@H](N)CC#N 12486 [1,1,0,0,0,0|2,0,0]=4 164 B5R0.1 C[C@H](O)CC#N 87623 [1,1,0,0,0,0|1,1,0]=4 165 B5R0.1 C[C@H](O)CCN 83616 [1,1,0,0,0,0|1,1,0]=4 166 B5R0.1 C[C@H](O)CON O10313 [1,1,0,0,0,0|0,1,0]=3 167 B5R0.1 OCCC(F)F P18054 [1,1,0,0,0,0|2,0,0]=4 168 B5R0.4 CC(C)(Br)CN 55595 [1,1,0,0,0,0|2,0,0]=4 169 B5R0.4 CC(C)(C)NO 77598 [1,1,0,0,0,0|2,0,0]=4 170 B5R0.4 CC(C)(Cl)CCl H11156 [1,1,0,0,0,0|2,0,0]=4 171 B5R0.4 CC(C)(F)CBr 29918 [1,1,0,0,0,0|2,0,0]=4 172 B5R0.4 CC(C)(F)CO P17817 [1,1,0,0,0,0|1,0,0]=3 173 B5R0.4 CC(C)(O)CBr A11164 [1,1,0,0,0,0|1,1,0]=4 174 B5R0.5 C[C@H](O)[C@H](C)O C91323 [1,1,0,0,0,0|0,1,0]=3 175 B5R0.2 C#CCCCI C78094 [1,1,0,0,0,0|2,0,0]=4 176 B5R0.2 C#CCCCN 72839 [1,1,0,0,0,0|2,0,0]=4 177 B5R0.2 CCCCON 31644 [1,1,0,0,0,0|1,0,0]=3 178 B5R0.2 COCCCO D77912 [1,1,0,0,0,0|0,1,0]=3 179 B5R0.2 NCCCCCl F19552 [1,1,0,0,0,0|2,0,0]=4 180 B5R0.2 NNCCCO AB9423 [1,1,0,0,0,0|1,0,0]=3 181 B5R0.2 O=CCCCO 55817 [1,1,0,0,0,0|0,1,0]=3 182 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,2,0,0,0,0|2,0,0]=4 183 B7R0.2 CC[C@H](N)CC(=O)O 51922 [0,2,0,0,0,0|2,0,0]=4 184 B7R0.2 CC[C@H](N)CC(=O)O 52000 [0,2,0,0,0,0|2,0,0]=4 185 B7R0.2 CC[C@H](O)CC(=O)O C14017 [0,2,0,0,0,0|1,1,0]=4 186 B7R0.2 CN(C)C[C@H](O)CO D95190 [0,2,0,0,0,0|1,1,0]=4 187 B7R0.2 N[C@H](CO)CC(=O)O D95019 [0,2,0,0,0,0|1,1,0]=4 188 B7R0.2 N[C@H](CO)CC(=O)O F14029 [0,2,0,0,0,0|1,1,0]=4 189 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [0,2,0,0,0,0|1,0,1]=4 190 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.7 CCC[C@H](N)CCO AT20461 [0,2,0,0,0,0|2,0,0]=4 192 B7R0.7 CCC[C@H](N)CCO I11080 [0,2,0,0,0,0|2,0,0]=4 193 B7R0.7 CCC[C@H](N)CCO N12794 [0,2,0,0,0,0|2,0,0]=4 194 B7R0.7 COC[C@@H](N)CCO AT12992 [0,2,0,0,0,0|1,1,0]=4 195 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.10 OC[C@H](O)[C@@H](O)CO T72117 [0,2,0,0,0,0|0,2,0]=4 197 B7R0.10 O[C@@H](CS)[C@@H](O)CS T70362 [0,2,0,0,0,0|0,1,0]=3 198 B7R0.11 CC(C)(CO)CCO W16131 [0,2,0,0,0,0|1,1,0]=4 199 B7R0.11 COCC(C)(C)CO BL000418 [0,2,0,0,0,0|1,1,0]=4 200 B7R0.12 CCCC(CO)CO AB7729 [0,2,0,0,0,0|1,1,0]=4 201 B7R0.12 CCN[C@@H](CC)CO 29377 [0,2,0,0,0,0|2,0,0]=4 202 B7R0.14 CC(C)(C)[C@@H](N)CO 39285 [0,2,0,0,0,0|2,0,0]=4 203 B7R0.14 CC(C)(O)[C@@H](F)CN 89812 [0,2,0,0,0,0|2,0,0]=4 204 B7R0.14 CC(C)(O)[C@@H](F)CN P18828 [0,2,0,0,0,0|2,0,0]=4 205 B7R0.14 C[C@@H](CO)C(F)(F)F I10109 [0,2,0,0,0,0|2,0,0]=4 206 B7R0.14 N[C@@H](CO)C(F)(F)F N11384 [0,2,0,0,0,0|2,0,0]=4 207 B7R0.14 OC[C@H](O)C(F)(F)F AT11767 [0,2,0,0,0,0|1,1,0]=4 208 B7R0.15 CC(C)C(CO)CO 73803 [0,2,0,0,0,0|1,1,0]=4 209 B7R0.15 CC[C@@H](CO)C(C)C C74656 [0,2,0,0,0,0|2,0,0]=4 210 B5R1.2 C=C1COC1 P17999 [1,0,0,1,0,0|1,0,1]=4 211 B5R1.2 C[C@H]1CCN1 98100 [1,0,0,1,0,0|2,0,0]=4 212 B5R1.2 C[C@H]1CCN1 P21034 [1,0,0,1,0,0|2,0,0]=4 213 B5R1.2 ClC1CCC1 T70092 [1,0,0,1,0,0|2,0,0]=4 214 B5R1.2 ClC1CNC1 37968 [1,0,0,1,0,0|2,0,0]=4 215 B5R1.2 ClC1COC1 CS1986 [1,0,0,1,0,0|1,0,0]=3 216 B5R1.2 FC1CNC1 SC2901 [1,0,0,1,0,0|2,0,0]=4 217 B5R1.2 IC1CCC1 P17114 [1,0,0,1,0,0|2,0,0]=4 218 B5R1.2 NC1CSC1 39038 [1,0,0,1,0,0|1,0,0]=3 219 B5R1.2 SC1CNC1 38596 [1,0,0,1,0,0|1,0,0]=3 220 B5R1.2 SC1COC1 32902 [1,0,0,1,0,0|0,0,0]=2 221 B5R1.3 ICC1CC1 P19124 [1,0,0,1,0,0|2,0,0]=4 222 B5R1.4 CC1CC1N 72192 [1,0,0,1,0,0|2,0,0]=4 223 B5R1.4 CC1CC1N 72742 [1,0,0,1,0,0|2,0,0]=4 224 B5R1.4 N[C@@H]1C[C@@H]1F D79320 [1,0,0,1,0,0|2,0,0]=4 225 B5R1.4 N[C@@H]1C[C@@H]1F P17919 [1,0,0,1,0,0|2,0,0]=4 226 B5R1.4 N[C@@H]1C[C@@H]1O C93526 [1,0,0,1,0,0|1,0,0]=3 227 B5R1.4 N[C@H]1C[C@@H]1F CS3399 [1,0,0,1,0,0|2,0,0]=4 228 B5R1.4 N[C@H]1C[C@@H]1N P18270 [1,0,0,1,0,0|2,0,0]=4 229 B5R1.5 CC1(C)CN1 56316 [1,0,0,1,0,0|2,0,0]=4 230 B5R1.5 CC1(O)CC1 83778 [1,0,0,1,0,0|1,1,0]=4 231 B5R1.1 C1CNNC1 26256 [1,0,0,1,0,0|2,0,0]=4 232 B5R1.1 C1COCN1 A51210 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.1 BrC[C@H]1CCOC1 84096 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.1 CN[C@H]1CCOC1 P18534 [0,1,0,1,0,0|2,0,0]=4 235 B7R1.1 CN[C@H]1CCOC1 P18535 [0,1,0,1,0,0|2,0,0]=4 236 B7R1.1 N#C[C@H]1CCOC1 39230 [0,1,0,1,0,0|2,0,0]=4 237 B7R1.1 N#C[C@H]1CCOC1 P12891 [0,1,0,1,0,0|2,0,0]=4 238 B7R1.1 NC[C@H]1CCOC1 37316 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.1 NC[C@H]1CCOC1 68891 [0,1,0,1,0,0|2,0,0]=4 240 B7R1.1 NC[C@H]1CCOC1 P12031 [0,1,0,1,0,0|2,0,0]=4 241 B7R1.1 OC[C@H]1CCCO1 66575 [0,1,0,1,0,0|1,1,0]=4 242 B7R1.1 OC[C@H]1CCNC1 24481 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.1 OC[C@H]1CCNC1 29239 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.1 OC[C@H]1CCNC1 30959 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.1 OC[C@H]1CCOC1 37313 [0,1,0,1,0,0|1,1,0]=4 246 B7R1.1 OC[C@H]1CCOC1 37314 [0,1,0,1,0,0|1,1,0]=4 247 B7R1.2 NC1CCC(O)C1 21055 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.2 NC1CCC(O)C1 26425 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [0,1,0,1,0,0|2,0,0]=4 255 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [0,1,0,1,0,0|1,1,0]=4 256 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [0,1,0,1,0,0|1,1,0]=4 257 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [0,1,0,1,0,0|2,0,0]=4 258 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [0,1,0,1,0,0|2,0,0]=4 259 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [0,1,0,1,0,0|2,0,0]=4 260 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,1,0,1,0,0|0,2,0]=4 261 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [0,1,0,1,0,0|1,1,0]=4 262 B7R1.3 C[C@H]1COCCN1 72593 [0,1,0,1,0,0|2,0,0]=4 263 B7R1.3 N[C@H]1CCCOC1 F10442 [0,1,0,1,0,0|2,0,0]=4 264 B7R1.3 O[C@H]1CCCOC1 P10754 [0,1,0,1,0,0|1,1,0]=4 265 B7R1.3 O[C@H]1CCCOC1 P10755 [0,1,0,1,0,0|1,1,0]=4 266 B7R1.3 SC1CCNCC1 39018 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.3 SC1CCOCC1 AT12453 [0,1,0,1,0,0|1,0,0]=3 268 B7R1.3 S[C@H]1CCCNC1 P11853 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,1,0,1,0,0|2,0,0]=4 270 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,1,0,1,0,0|1,1,0]=4 275 B7R1.4 NC1COCC1O O11159 [0,1,0,1,0,0|1,1,0]=4 276 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.4 N[C@@H]1COC[C@@H]1F W12424 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.4 N[C@@H]1COC[C@@H]1N P15675 [0,1,0,1,0,0|2,0,0]=4 279 B7R1.4 N[C@@H]1COC[C@@H]1O F53671 [0,1,0,1,0,0|1,1,0]=4 280 B7R1.4 N[C@@H]1COC[C@@H]1O P12686 [0,1,0,1,0,0|1,1,0]=4 281 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.4 N[C@H]1COC[C@@H]1F W12730 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.4 N[C@H]1COC[C@@H]1N 37783 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.4 N[C@H]1COC[C@@H]1N 37786 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.4 N[C@H]1COC[C@@H]1N P15676 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.4 N[C@H]1COC[C@@H]1O 71841 [0,1,0,1,0,0|1,1,0]=4 287 B7R1.4 N[C@H]1COC[C@@H]1O P12486 [0,1,0,1,0,0|1,1,0]=4 288 B7R1.4 N[C@H]1COC[C@@H]1O P15828 [0,1,0,1,0,0|1,1,0]=4 289 B7R1.4 O[C@@H]1CNC[C@@H]1F 72988 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.4 O[C@H]1CNC[C@@H]1F 38827 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.4 O[C@H]1CNC[C@@H]1F P15834 [0,1,0,1,0,0|2,0,0]=4 292 B7R1.4 O[C@H]1CNC[C@@H]1O 39002 [0,1,0,1,0,0|1,1,0]=4 293 B7R1.4 O[C@H]1CNC[C@@H]1O P15707 [0,1,0,1,0,0|1,1,0]=4 294 B7R1.4 O[C@H]1COC[C@@H]1F 73076 [0,1,0,1,0,0|1,1,0]=4 295 B7R1.4 O[C@H]1COC[C@@H]1O 66690 [0,1,0,1,0,0|0,2,0]=4 296 B7R1.6 CCNC1COC1 32797 [0,1,0,1,0,0|2,0,0]=4 297 B7R1.6 CNCC1COC1 32854 [0,1,0,1,0,0|2,0,0]=4 298 B7R1.6 COCC1CNC1 36064 [0,1,0,1,0,0|2,0,0]=4 299 B7R1.6 COCC1CNC1 37073 [0,1,0,1,0,0|2,0,0]=4 300 B7R1.6 COC[C@H]1CCN1 38829 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.6 COC[C@H]1CCN1 P15803 [0,1,0,1,0,0|2,0,0]=4 302 B7R1.6 N#CCC1COC1 D79136 [0,1,0,1,0,0|2,0,0]=4 303 B7R1.6 NCCC1COC1 85783 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.6 O=CCC1COC1 CS2316 [0,1,0,1,0,0|1,1,0]=4 305 B7R1.6 OCCC1CCC1 32129 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.6 OCCC1CNC1 P16512 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.6 OCCC1COC1 32759 [0,1,0,1,0,0|1,1,0]=4 308 B7R1.6 OCC[C@H]1CCO1 P17680 [0,1,0,1,0,0|1,1,0]=4 309 B7R1.8 CN1CC[C@@H]1CO 63438 [0,1,0,1,0,0|2,0,0]=4 310 B7R1.8 CN1CC[C@@H]1CO AT17142 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.8 CN1CC[C@@H]1CO P18351 [0,1,0,1,0,0|2,0,0]=4 312 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,1,0,1,0,0|1,1,0]=4 313 B7R1.9 NCC1CC1CO C14991 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.9 OC[C@H]1C[C@H]1CO P16470 [0,1,0,1,0,0|1,1,0]=4 315 B7R1.10 C=C1CC(CO)C1 D79070 [0,1,0,1,0,0|2,0,0]=4 316 B7R1.10 CN1CC(CO)C1 P17862 [0,1,0,1,0,0|2,0,0]=4 317 B7R1.10 NCC1CC(O)C1 37219 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.10 NC[C@H]1C[C@H](O)C1 37659 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.10 N[C@H]1C[C@@H](CO)C1 29808 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.10 N[C@H]1C[C@@H](CO)C1 37494 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.10 N[C@H]1C[C@H](CO)C1 37495 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.10 O=C1C[C@H](CO)N1 P17668 [0,1,0,1,0,0|1,1,0]=4 323 B7R1.10 OCC1CC(F)C1 72453 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.10 OCC1CC(O)C1 N10548 [0,1,0,1,0,0|1,1,0]=4 325 B7R1.10 O[C@H]1C[C@@H](CF)C1 P21066 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.21 CC1(CCO)CC1 P14058 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.22 N[C@@H](CO)C1CC1 N11217 [0,1,0,1,0,0|2,0,0]=4 328 B7R1.22 N[C@@H](CO)C1CC1 P18914 [0,1,0,1,0,0|2,0,0]=4 329 B7R1.22 N[C@@H](CO)C1CC1 Y14567 [0,1,0,1,0,0|2,0,0]=4 330 B7R1.25 CC1(CO)CCC1 90942 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.25 CC1(CO)CNC1 73126 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.25 CCC1(N)COC1 32880 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.25 CCC1(O)COC1 69107 [0,1,0,1,0,0|1,1,0]=4 334 B7R1.25 C[C@]1(CN)CCO1 D79679 [0,1,0,1,0,0|2,0,0]=4 335 B7R1.25 C[C@]1(CN)CCO1 P20357 [0,1,0,1,0,0|2,0,0]=4 336 B7R1.25 C[C@]1(CO)CCN1 P18401 [0,1,0,1,0,0|2,0,0]=4 337 B7R1.25 FC1(CBr)COC1 32850 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.25 NC1(CF)COC1 P18909 [0,1,0,1,0,0|2,0,0]=4 339 B7R1.25 NC1(CO)CCC1 P11244 [0,1,0,1,0,0|2,0,0]=4 340 B7R1.25 NC1(CO)COC1 32838 [0,1,0,1,0,0|1,1,0]=4 341 B7R1.25 NCC1(F)COC1 32924 [0,1,0,1,0,0|2,0,0]=4 342 B7R1.25 NCC1(O)COC1 32889 [0,1,0,1,0,0|1,1,0]=4 343 B7R1.25 OCC1(F)CCC1 85746 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.25 OCC1(F)COC1 32840 [0,1,0,1,0,0|1,1,0]=4 345 B7R1.25 OCC1(O)CCC1 AT20135 [0,1,0,1,0,0|1,1,0]=4 346 B7R1.25 OCC1(O)CNC1 P15456 [0,1,0,1,0,0|1,1,0]=4 347 B7R1.18 C[C@H](O)C1COC1 P18451 [0,1,0,1,0,0|1,1,0]=4 348 B7R1.18 O=C(O)C1CSC1 P12604 [0,1,0,1,0,0|1,0,1]=4 349 B7R1.14 C[C@]1(N)CCOC1 38927 [0,1,0,1,0,0|2,0,0]=4 350 B7R1.14 C[C@]1(O)CCOC1 69114 [0,1,0,1,0,0|1,1,0]=4 351 B7R1.29 COC1(CO)CC1 92149 [0,1,0,1,0,0|1,1,0]=4 352 B7R1.29 N#CC1(CO)CC1 80646 [0,1,0,1,0,0|2,0,0]=4 353 B7R1.29 OCC1(CF)CC1 32156 [0,1,0,1,0,0|2,0,0]=4