0 B6R0.9 CCC(C#N)CC AC1599 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.9 CCC(CBr)CBr W17735 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.9 CCN(C#N)CC A12695 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.9 CC[C@@H](CN)CO Y13480 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.9 CO[C@@H](CN)CO P20679 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.9 O=CC(C=O)C=O 25510 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 C=C[C@@H](N)CO 52208 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.3 C=C[C@@H](N)CO 52209 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.3 C=C[C@@H](N)CO 52211 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.3 C=C[C@@H](O)CO 56500 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.3 C=C[C@H](C)ON F31247 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.3 CCC(=O)CN S11993 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.3 CC[C@H](C)CN 88665 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.3 CC[C@H](N)C#N 98383 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.3 CC[PH](=O)CC C77650 [1,0,0,0,0,0|1,0,0]=2 15 B5R0.3 CN[C@@H](C)CO AC8719 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.3 CN[C@@H](C)CO C77593 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.3 CN[C@@H](C)CO D80042 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.3 CN[C@@H](C)CO D80344 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.3 CN[C@@H](C)CO D82586 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.3 CO[C@@H](C)CN 91001 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.3 CO[C@@H](C)CO 91002 [1,0,0,0,0,0|1,0,2]=4 22 B5R0.3 C[C@@H](CN)CCl 72948 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.3 C[C@@H](CO)CBr AB3182 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.3 FCC(I)CF AC4509 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.3 NC[C@H](Br)CBr AC1488 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.3 NC[C@H](F)CO 94841 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.3 NC[C@H](F)CO 94845 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.3 NC[C@H](F)CO 94846 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.3 NC[C@H](O)CCl C10413 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.3 NC[C@H](O)CF 94771 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 OC[C@H](O)CF 65949 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.3 OC[C@H](O)CF F14582 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.12 CCCC(CO)CO AB7729 [0,1,0,0,0,0|1,0,2]=4 34 B7R0.12 CCN(CCO)N=O T71710 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.12 CCN[C@@H](CC)CO 29377 [0,1,0,0,0,0|0,0,2]=3 36 B7R0.15 CC(C)C(CO)CO 73803 [0,1,0,0,0,0|1,0,2]=4 37 B7R0.15 CCN(CC)C(=O)Cl F20301 [0,1,0,0,0,0|1,0,0]=2 38 B7R0.15 CC[C@@H](CO)C(C)C C74656 [0,1,0,0,0,0|0,0,2]=3 39 B7R0.15 CC[C@H](NC)C(=O)O W18322 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.15 CC[C@H](OC)C(=O)O AC6372 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.15 CN[C@@H](CO)C(=O)O F11106 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.15 COC(OC)C(C)C D93459 [0,1,0,0,0,0|3,0,0]=4 43 B7R0.15 COC(OC)[C@H](C)Br AC5914 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.18 C#CC(N)(CC)CC 20511 [0,1,0,0,0,0|1,0,1]=3 45 B7R0.18 CCC(N)(C#N)CC 20841 [0,1,0,0,0,0|1,0,1]=3 46 B7R1.1 BrCC1=CCCC1 37275 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.1 BrC[C@H]1CCOC1 84096 [0,0,0,1,0,0|1,0,2]=4 48 B7R1.1 C=CC1CCCC1 T72385 [0,0,0,1,0,0|1,0,0]=2 49 B7R1.1 CC[C@H]1CCCN1 F16886 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.1 CC[C@H]1CCNC1 P14869 [0,0,0,1,0,0|1,0,1]=3 51 B7R1.1 CN[C@H]1CCOC1 P18534 [0,0,0,1,0,0|1,0,2]=4 52 B7R1.1 CN[C@H]1CCOC1 P18535 [0,0,0,1,0,0|1,0,2]=4 53 B7R1.1 COC1=CCCC1 D93350 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.1 CO[C@H]1CCNC1 26935 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.1 CO[C@H]1CCNC1 P10862 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.1 FC[C@H]1CCCN1 37688 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.1 FC[C@H]1CCCN1 P11073 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.1 FC[C@H]1CCNC1 P18731 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.1 N#C[C@@H]1CCCN1 37678 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.1 N#C[C@@H]1CCCN1 68253 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.1 N#C[C@@H]1CCCN1 68254 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.1 N#C[C@@H]1CCCO1 31513 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.1 N#C[C@H]1CCNC1 81493 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.1 N#C[C@H]1CCNC1 81538 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.1 N#C[C@H]1CCNC1 82703 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.1 N#C[C@H]1CCOC1 39230 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.1 N#C[C@H]1CCOC1 P12891 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.1 NCC1CCCC1 P10292 [0,0,0,1,0,0|1,0,1]=3 69 B7R1.1 NC[C@H]1CCCN1 83159 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.1 NC[C@H]1CCCO1 83007 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.1 NC[C@H]1CCCO1 S11127 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.1 NC[C@H]1CCOC1 37316 [0,0,0,1,0,0|1,0,2]=4 73 B7R1.1 NC[C@H]1CCOC1 68891 [0,0,0,1,0,0|1,0,2]=4 74 B7R1.1 NC[C@H]1CCOC1 P12031 [0,0,0,1,0,0|1,0,2]=4 75 B7R1.1 NNC1CCCC1 BL010355 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.1 NOC1CCCC1 97655 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.1 O=CC1=CCCC1 26227 [0,0,0,1,0,0|0,0,2]=3 78 B7R1.1 O=CC1=CCCO1 D79895 [0,0,0,1,0,0|1,0,2]=4 79 B7R1.1 OC[C@H]1CCCO1 66575 [0,0,0,1,0,0|1,0,2]=4 80 B7R1.1 OC[C@H]1CCNC1 24481 [0,0,0,1,0,0|1,0,2]=4 81 B7R1.1 OC[C@H]1CCNC1 29239 [0,0,0,1,0,0|1,0,2]=4 82 B7R1.1 OC[C@H]1CCNC1 30959 [0,0,0,1,0,0|1,0,2]=4 83 B7R1.1 OC[C@H]1CCOC1 37313 [0,0,0,1,0,0|1,0,2]=4 84 B7R1.1 OC[C@H]1CCOC1 37314 [0,0,0,1,0,0|1,0,2]=4 85 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.8 CC1NCC1C#N D96740 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.8 CN1CC[C@@H]1CN P15857 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.8 CN1CC[C@@H]1CO 63438 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.8 CN1CC[C@@H]1CO AT17142 [0,0,0,1,0,0|1,0,2]=4 90 B7R1.8 CN1CC[C@@H]1CO P18351 [0,0,0,1,0,0|1,0,2]=4 91 B7R1.8 CO[C@H]1CCC1=O P17941 [0,0,0,1,0,0|1,0,0]=2 92 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,0,0,1,0,0|1,0,0]=2 93 B7R1.29 BrCC1(CBr)CC1 A10555 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.29 C#CC1(CC)CC1 P17598 [0,0,0,1,0,0|1,0,1]=3 95 B7R1.29 CCC1(CN)CC1 W19007 [0,0,0,1,0,0|1,0,1]=3 96 B7R1.29 COC1(CO)CC1 92149 [0,0,0,1,0,0|1,0,2]=4 97 B7R1.29 N#CC1(CO)CC1 80646 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.29 OCC1(CF)CC1 32156 [0,0,0,1,0,0|1,0,2]=4 99 B4R0.1 C=C[C@H](C)N 81150 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.1 C=C[C@H](C)N C77628 [2,0,0,0,0,0|2,0,0]=4 101 B4R0.1 C=C[C@H](C)N N11410 [2,0,0,0,0,0|2,0,0]=4 102 B4R0.1 CC(C)CBr P19652 [2,0,0,0,0,0|1,0,1]=4 103 B4R0.1 CC[C@H](C)N 74047 [2,0,0,0,0,0|1,0,0]=3 104 B4R0.1 C[C@H](Br)CN F11189 [2,0,0,0,0,0|2,0,0]=4 105 B4R0.1 C[C@H](Br)CO W17591 [2,0,0,0,0,0|2,0,0]=4 106 B4R0.1 C[C@H](Cl)CN Y14715 [2,0,0,0,0,0|2,0,0]=4 107 B4R0.1 C[C@H](N)CF AC1136 [2,0,0,0,0,0|2,0,0]=4 108 B4R0.1 C[C@H](N)CF AC6177 [2,0,0,0,0,0|2,0,0]=4 109 B4R0.2 BrCCCBr D77913 [2,0,0,0,0,0|2,0,0]=4 110 B4R0.2 CCCCN T70838 [2,0,0,0,0,0|1,0,0]=3 111 B4R0.2 CCONC AT14498 [2,0,0,0,0,0|2,0,0]=4 112 B4R0.2 COCCI A50601 [2,0,0,0,0,0|2,0,0]=4 113 B4R0.2 CSCCN D73275 [2,0,0,0,0,0|2,0,0]=4 114 B4R0.2 NCCCF 61303 [2,0,0,0,0,0|2,0,0]=4 115 B4R0.2 NCCCN T70045 [2,0,0,0,0,0|2,0,0]=4 116 B4R0.2 NCCCS A11074 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.2 OCCCO D77845 [2,0,0,0,0,0|2,0,0]=4 118 B4R0.2 OCCCS D78398 [2,0,0,0,0,0|2,0,0]=4 119 B4R0.2 SCCCBr 77989 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.1 CCC[C@@H](Br)CC D78429 [1,1,0,0,0,0|1,0,0]=3 121 B6R0.1 CCC[C@H](N)CO C13482 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.1 CCNC(=O)CO 79517 [1,1,0,0,0,0|1,0,1]=4 123 B6R0.1 CCO[C@@H](C)CO 91003 [1,1,0,0,0,0|0,0,2]=4 124 B6R0.1 CC[C@H](S)CCO D84734 [1,1,0,0,0,0|0,1,0]=3 125 B6R0.1 CNC(=O)CCN C75423 [1,1,0,0,0,0|1,0,1]=4 126 B6R0.1 CNC(=O)CCO AC6610 [1,1,0,0,0,0|1,0,1]=4 127 B6R0.1 CNC(=O)CCS A11187 [1,1,0,0,0,0|1,0,1]=4 128 B6R0.1 COC[C@@H](O)CN 94767 [1,1,0,0,0,0|1,0,1]=4 129 B6R0.1 NCC[C@H](O)CO F51073 [1,1,0,0,0,0|1,0,1]=4 130 B6R0.1 N[C@H](CO)CCO AB10026 [1,1,0,0,0,0|2,0,0]=4 131 B6R0.1 N[C@H](CO)CCO AB10027 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.1 N[C@H](CS)CCS F52529 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.3 C=C(I)[C@@H](C)CI 27069 [1,1,0,0,0,0|2,0,0]=4 134 B6R0.3 C=C[C@H](C)C(=O)O T72590 [1,1,0,0,0,0|0,0,2]=4 135 B6R0.3 CC(C)C(=O)CCl D94573 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.3 CC(C)[C@@H](C)CO D93394 [1,1,0,0,0,0|0,0,2]=4 137 B6R0.3 CCN(C)C(C)=O F19909 [1,1,0,0,0,0|1,0,0]=3 138 B6R0.3 CC[C@H](C)C(=O)O 88659 [1,1,0,0,0,0|0,0,0]=2 139 B6R0.3 CC[C@H](N)C(N)=O I10243 [1,1,0,0,0,0|1,0,0]=3 140 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [1,1,0,0,0,0|1,0,0]=3 141 B6R0.3 CNC(=O)[C@H](C)N C78177 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.3 CNC(=O)[C@H](C)N C78349 [1,1,0,0,0,0|1,0,1]=4 143 B6R0.3 CNC(=O)[C@H](C)N FD21069 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.3 C[C@@H](CN)C(=O)O F15101 [1,1,0,0,0,0|1,0,0]=3 145 B6R0.3 C[C@@H](CN)C(=O)O F15242 [1,1,0,0,0,0|1,0,0]=3 146 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [1,1,0,0,0,0|1,0,0]=3 147 B6R0.3 C[C@H](C#N)C(=O)O C75969 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.3 C[C@H](ON)C(=O)O AT14512 [1,1,0,0,0,0|2,0,0]=4 149 B6R0.3 C[C@H](ON)C(=O)O Y13476 [1,1,0,0,0,0|2,0,0]=4 150 B6R0.3 NC(=O)[C@@H](N)CO D75098 [1,1,0,0,0,0|2,0,0]=4 151 B6R0.3 NC[C@H](F)C(=O)O T73016 [1,1,0,0,0,0|2,0,0]=4 152 B6R0.3 NC[C@H](O)C(=O)O O10173 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.3 N[C@@H](CCl)C(=O)O FD21124 [1,1,0,0,0,0|2,0,0]=4 154 B6R0.3 O=C(O)[C@@H](Br)CO A10085 [1,1,0,0,0,0|2,0,0]=4 155 B6R0.3 O=C(O)[C@@H](Br)CO AB19244 [1,1,0,0,0,0|2,0,0]=4 156 B6R0.3 O=C(O)[C@@H](O)CCl 84142 [1,1,0,0,0,0|2,0,0]=4 157 B6R0.8 CC(C)(C=O)CCl C90225 [1,1,0,0,0,0|1,0,0]=3 158 B6R0.8 CCS(=O)(=O)CCl 72654 [1,1,0,0,0,0|2,0,0]=4 159 B6R0.8 CC[C@](C)(N)C#N 25874 [1,1,0,0,0,0|1,0,1]=4 160 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [0,2,0,0,0,0|1,0,0]=3 161 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [0,2,0,0,0,0|0,0,0]=2 162 B8R0.20 CCN(CC)C(=O)CN D95088 [0,2,0,0,0,0|1,0,0]=3 163 B8R0.20 CC[C@@H](CO)C(=O)OC AB9727 [0,2,0,0,0,0|1,0,0]=3 164 B8R0.20 CC[C@H](C#N)C(=O)OC Y14710 [0,2,0,0,0,0|1,0,1]=4 165 B8R0.20 COC(=O)C(CN)CN N13257 [0,2,0,0,0,0|2,0,0]=4 166 B8R0.31 CCC(O)(CC)COC 73811 [0,2,0,0,0,0|0,0,2]=4 167 B8R0.31 CCC[C@](N)(C#N)CC D84556 [0,2,0,0,0,0|1,0,1]=4 168 B8R0.18 CC(C)N(N=O)C(C)C D77969 [0,2,0,0,0,0|2,0,0]=4 169 B8R0.18 CC(C)[C@H](CN)C(=O)O 32008 [0,2,0,0,0,0|1,0,0]=3 170 B8R0.18 CC(C)[C@H](CN)C(=O)O 32570 [0,2,0,0,0,0|1,0,0]=3 171 B8R0.18 CC(C)[C@H](CN)C(=O)O 32574 [0,2,0,0,0,0|1,0,0]=3 172 B8R0.18 CC(C)[C@H](CN)C(=O)O F15099 [0,2,0,0,0,0|1,0,0]=3 173 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O C15482 [0,2,0,0,0,0|1,0,0]=3 174 B8R0.26 CC[C@H](NN)C(C)(C)C 73743 [0,2,0,0,0,0|2,0,0]=4 175 B8R0.36 CCC(N)(CC)C(=O)O 20649 [0,2,0,0,0,0|0,0,0]=2 176 B8R0.36 CCC(N)(CC)C(N)=O A10077 [0,2,0,0,0,0|0,0,0]=2 177 B6R1.2 C=C1CCNC1 F13598 [1,0,0,1,0,0|1,0,1]=4 178 B6R1.2 C[C@H]1CCNC1 69327 [1,0,0,1,0,0|1,0,1]=4 179 B6R1.2 C[C@H]1CCSC1 70016 [1,0,0,1,0,0|0,1,1]=4 180 B6R1.2 Cl[C@H]1CCNC1 W15835 [1,0,0,1,0,0|2,0,0]=4 181 B6R1.2 Cl[C@H]1CCOC1 N12419 [1,0,0,1,0,0|2,0,0]=4 182 B6R1.2 F[C@H]1CCNC1 P10396 [1,0,0,1,0,0|2,0,0]=4 183 B6R1.2 F[C@H]1CCNC1 P10397 [1,0,0,1,0,0|2,0,0]=4 184 B6R1.2 I[C@H]1CCOC1 37310 [1,0,0,1,0,0|2,0,0]=4 185 B6R1.2 I[C@H]1CCOC1 37311 [1,0,0,1,0,0|2,0,0]=4 186 B6R1.2 NN1CCCC1 F13227 [1,0,0,1,0,0|2,0,0]=4 187 B6R1.2 NN1CCCC1 S12058 [1,0,0,1,0,0|2,0,0]=4 188 B6R1.2 N[C@H]1CCSC1 70834 [1,0,0,1,0,0|2,0,0]=4 189 B6R1.2 O[C@H]1CCSC1 50208 [1,0,0,1,0,0|1,0,1]=4 190 B6R1.4 CC1NCC1F P20228 [1,0,0,1,0,0|2,0,0]=4 191 B6R1.4 CC1OCC1O P16543 [1,0,0,1,0,0|1,0,1]=4 192 B6R1.4 C[C@@H]1OCC1=O P16003 [1,0,0,1,0,0|1,0,0]=3 193 B6R1.4 C[C@H]1CCC1=O W18267 [1,0,0,1,0,0|0,0,0]=2 194 B6R1.4 C[C@H]1CNC1=O P20594 [1,0,0,1,0,0|1,0,0]=3 195 B6R1.4 C[C@H]1NC[C@@H]1F P20392 [1,0,0,1,0,0|2,0,0]=4 196 B6R1.4 C[C@H]1NC[C@@H]1O D79131 [1,0,0,1,0,0|1,0,1]=4 197 B6R1.4 C[C@H]1NC[C@@H]1O P18430 [1,0,0,1,0,0|1,0,1]=4 198 B6R1.4 NC1CCC1F P20418 [1,0,0,1,0,0|2,0,0]=4 199 B6R1.4 NC1CCC1O 94999 [1,0,0,1,0,0|1,0,1]=4 200 B6R1.4 N[C@@H]1CC[C@@H]1O P18786 [1,0,0,1,0,0|1,0,1]=4 201 B6R1.4 O=C1CC[C@@H]1Br P18435 [1,0,0,1,0,0|1,0,0]=3 202 B6R1.4 OC1CCC1O D79179 [1,0,0,1,0,0|1,0,1]=4 203 B6R1.4 O[C@H]1CC[C@@H]1O P21043 [1,0,0,1,0,0|1,0,1]=4 204 B6R1.6 BrC[C@H]1CCO1 28585 [1,0,0,1,0,0|1,0,1]=4 205 B6R1.6 BrC[C@H]1CCO1 D97141 [1,0,0,1,0,0|1,0,1]=4 206 B6R1.6 BrC[C@H]1CCO1 P21121 [1,0,0,1,0,0|1,0,1]=4 207 B6R1.6 CNC1CCC1 20929 [1,0,0,1,0,0|1,0,1]=4 208 B6R1.6 NC[C@H]1CCN1 20184 [1,0,0,1,0,0|2,0,0]=4 209 B6R1.6 NC[C@H]1CCO1 P20441 [1,0,0,1,0,0|1,0,1]=4 210 B6R1.6 NNC1CCC1 AB1362 [1,0,0,1,0,0|2,0,0]=4 211 B6R1.6 NNC1CCC1 BL010353 [1,0,0,1,0,0|2,0,0]=4 212 B6R1.6 O=CC1COC1 84841 [1,0,0,1,0,0|1,0,0]=3 213 B6R1.6 OC[C@H]1CCN1 36269 [1,0,0,1,0,0|2,0,0]=4 214 B6R1.6 OC[C@H]1CCN1 38353 [1,0,0,1,0,0|2,0,0]=4 215 B6R1.6 OC[C@H]1CCN1 38354 [1,0,0,1,0,0|2,0,0]=4 216 B6R1.6 OC[C@H]1CCO1 26540 [1,0,0,1,0,0|1,0,1]=4 217 B6R1.6 OC[C@H]1CCO1 AT10832 [1,0,0,1,0,0|1,0,1]=4 218 B6R1.6 OC[C@H]1CCO1 P19736 [1,0,0,1,0,0|1,0,1]=4 219 B6R1.7 CC1(CN)CC1 W10016 [1,0,0,1,0,0|1,0,1]=4 220 B6R1.7 NC1(CF)CC1 72945 [1,0,0,1,0,0|2,0,0]=4 221 B6R1.7 NC1(CO)CC1 32781 [1,0,0,1,0,0|2,0,0]=4 222 B6R1.7 NCC1(O)CC1 AC3228 [1,0,0,1,0,0|1,0,1]=4 223 B6R1.7 OCC1(F)CC1 72692 [1,0,0,1,0,0|2,0,0]=4 224 B6R1.7 OCC1(O)CC1 72268 [1,0,0,1,0,0|1,0,1]=4 225 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [1,0,0,1,0,0|0,0,2]=4 226 B8R1.1 C=C[C@@H]1CCC(=O)N1 N10616 [0,1,0,1,0,0|0,0,2]=4 227 B8R1.1 CN1CC[C@H](CN)C1 P13795 [0,1,0,1,0,0|1,0,1]=4 228 B8R1.1 CN1CC[C@H](CN)C1 P13796 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.1 CN1CC[C@H](CO)C1 22985 [0,1,0,1,0,0|0,0,2]=4 230 B8R1.1 CN1CC[C@H](CO)C1 37309 [0,1,0,1,0,0|0,0,2]=4 231 B8R1.1 CN[C@H]1CCN(C)C1 P12573 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.1 COC1=CC(=O)CC1 63697 [0,1,0,1,0,0|1,0,1]=4 233 B8R1.1 COC1CCC(N)C1 33463 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.1 COC1CCC(O)C1 P19125 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.1 CO[C@H]1CC[C@@H](N)C1 P19923 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.1 CO[C@H]1CC[C@H](N)C1 P17830 [0,1,0,1,0,0|2,0,0]=4 237 B8R1.1 C[C@@H]1CC[C@H](CO)O1 73085 [0,1,0,1,0,0|0,0,2]=4 238 B8R1.1 N#CC1CCC(O)C1 W19383 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.1 N#C[C@@H]1CC[C@H](O)C1 73072 [0,1,0,1,0,0|1,0,1]=4 240 B8R1.1 N#C[C@H]1CCC(=O)C1 D96674 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.1 N#C[C@H]1CC[C@H](O)C1 73073 [0,1,0,1,0,0|1,0,1]=4 242 B8R1.1 NCC1CCC(F)C1 72980 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.1 NCC1CCC(O)C1 72949 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [0,1,0,1,0,0|1,0,0]=3 248 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [0,1,0,1,0,0|1,0,0]=3 249 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [0,1,0,1,0,0|1,0,0]=3 250 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [0,1,0,1,0,0|1,0,0]=3 251 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [0,1,0,1,0,0|1,0,0]=3 252 B8R1.1 NC[C@H]1CC[C@H](F)C1 72985 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.1 NC[C@H]1CNC(=O)O1 P14233 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.1 NC[C@H]1CNC(=O)O1 P14473 [0,1,0,1,0,0|2,0,0]=4 255 B8R1.1 NC[C@H]1CNC(=O)O1 P14857 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,1,0,1,0,0|1,0,0]=3 257 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,1,0,1,0,0|1,0,0]=3 258 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,1,0,1,0,0|1,0,0]=3 259 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.1 O=C1NC[C@H](CO)O1 70228 [0,1,0,1,0,0|2,0,0]=4 261 B8R1.1 O=C1N[C@@H](CI)CO1 C72732 [0,1,0,1,0,0|2,0,0]=4 262 B8R1.1 O=C1N[C@@H](CO)CO1 AC1845 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.1 O=C1N[C@@H](CO)CO1 F50277 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.1 O=C1N[C@@H](CO)CO1 F50345 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.2 BrC[C@H]1CCCOC1 38662 [0,1,0,1,0,0|1,0,1]=4 267 B8R1.2 C#CC1CCNCC1 P12507 [0,1,0,1,0,0|1,0,1]=4 268 B8R1.2 C#CC1CCOCC1 37550 [0,1,0,1,0,0|1,0,1]=4 269 B8R1.2 C#C[C@@H]1CCCCN1 CS2055 [0,1,0,1,0,0|1,0,1]=4 270 B8R1.2 C#C[C@H]1CCCNC1 P11150 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.2 C#C[C@H]1CCCNC1 P11485 [0,1,0,1,0,0|1,0,1]=4 272 B8R1.2 CCC1CCNCC1 W10090 [0,1,0,1,0,0|1,0,1]=4 273 B8R1.2 CC[C@H]1CCCCN1 Y10457 [0,1,0,1,0,0|1,0,1]=4 274 B8R1.2 CC[C@H]1CNCCN1 28366 [0,1,0,1,0,0|1,0,1]=4 275 B8R1.2 CC[C@H]1CNCCN1 I11833 [0,1,0,1,0,0|1,0,1]=4 276 B8R1.2 CC[C@H]1COCCN1 F17630 [0,1,0,1,0,0|0,0,2]=4 277 B8R1.2 CC[C@H]1COCCN1 FD6008 [0,1,0,1,0,0|0,0,2]=4 278 B8R1.2 CNC1CCNCC1 Y10435 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.2 CNC1CCSCC1 D93432 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.2 ClCC1CCNCC1 P17439 [0,1,0,1,0,0|1,0,1]=4 281 B8R1.2 ClCC1CCOCC1 C77585 [0,1,0,1,0,0|1,0,1]=4 282 B8R1.2 ClC[C@H]1CCCCN1 87776 [0,1,0,1,0,0|1,0,1]=4 283 B8R1.2 FCC1CCNCC1 F10330 [0,1,0,1,0,0|1,0,1]=4 284 B8R1.2 FC[C@H]1CCCNC1 24250 [0,1,0,1,0,0|1,0,1]=4 285 B8R1.2 ICC1CCCCC1 AC1131 [0,1,0,1,0,0|1,0,1]=4 286 B8R1.2 IC[C@H]1CCCCO1 P19885 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.2 IC[C@H]1CCCOC1 P20725 [0,1,0,1,0,0|1,0,1]=4 288 B8R1.2 N#CC1CCSCC1 29706 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.2 N#C[C@@H]1CCCCN1 CS1001 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.2 N#C[C@@H]1CCCCN1 P16178 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.2 N#C[C@@H]1CCCCN1 P17459 [0,1,0,1,0,0|1,0,1]=4 292 B8R1.2 N#C[C@@H]1CCCCN1 P17460 [0,1,0,1,0,0|1,0,1]=4 293 B8R1.2 N#C[C@@H]1CCCCO1 W16123 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.2 N#C[C@H]1CCCNC1 81492 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.2 N#C[C@H]1CCCNC1 81537 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.2 N#C[C@H]1CCCNC1 P11046 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.2 N#C[C@H]1CCCNC1 P18961 [0,1,0,1,0,0|1,0,1]=4 298 B8R1.2 NCC1CCSCC1 P11855 [0,1,0,1,0,0|1,0,1]=4 299 B8R1.2 NCC1CCSCC1 P17457 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.2 NC[C@H]1CCCOC1 SC1491 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.2 NNC1CCNCC1 BL010349 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.2 NNC1CCOCC1 F51905 [0,1,0,1,0,0|2,0,0]=4 303 B8R1.2 NNC1CCSCC1 BL010348 [0,1,0,1,0,0|2,0,0]=4 304 B8R1.2 NN[C@H]1CCCOC1 P17922 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.2 O=CN1CCCCC1 D77795 [0,1,0,1,0,0|1,0,0]=3 306 B8R1.2 O=C[C@@H]1CCCCN1 62054 [0,1,0,1,0,0|0,0,0]=2 307 B8R1.2 O=C[C@@H]1CCCCO1 79885 [0,1,0,1,0,0|0,0,0]=2 308 B8R1.2 O=C[C@@H]1COCCO1 D78647 [0,1,0,1,0,0|1,0,0]=3 309 B8R1.2 O=C[C@H]1CCCOC1 79874 [0,1,0,1,0,0|0,0,0]=2 310 B8R1.2 O=NN1CCOCC1 T72681 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.2 OC[C@H]1CCCNC1 36372 [0,1,0,1,0,0|0,0,2]=4 312 B8R1.2 OC[C@H]1CCCNC1 F14592 [0,1,0,1,0,0|0,0,2]=4 313 B8R1.2 OC[C@H]1CCCNC1 H10949 [0,1,0,1,0,0|0,0,2]=4 314 B8R1.2 OC[C@H]1CCCOC1 38674 [0,1,0,1,0,0|0,0,2]=4 315 B8R1.2 [C-]#[N+]C1CCOCC1 AC9405 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.8 BrCCC1CCCC1 C78009 [0,1,0,1,0,0|1,0,1]=4 317 B8R1.8 C=CC[C@H]1CCCN1 N16954 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.8 CCN[C@H]1CCNC1 T72394 [0,1,0,1,0,0|1,0,1]=4 319 B8R1.8 CCN[C@H]1CCOC1 F14260 [0,1,0,1,0,0|0,0,2]=4 320 B8R1.8 CCO[C@H]1CCNC1 P10149 [0,1,0,1,0,0|1,0,1]=4 321 B8R1.8 CNC[C@H]1CCCN1 P18036 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.8 COC[C@H]1CCCN1 11152 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.8 COC[C@H]1CCCN1 11153 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.8 COC[C@H]1CCCN1 71289 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.8 COC[C@H]1CCNC1 72010 [0,1,0,1,0,0|1,0,1]=4 326 B8R1.8 COC[C@H]1CCNC1 P10622 [0,1,0,1,0,0|1,0,1]=4 327 B8R1.8 COC[C@H]1CCNC1 P12588 [0,1,0,1,0,0|1,0,1]=4 328 B8R1.8 COC[C@H]1CCNC1 P15249 [0,1,0,1,0,0|1,0,1]=4 329 B8R1.8 COC[C@H]1CCNC1 P15255 [0,1,0,1,0,0|1,0,1]=4 330 B8R1.8 ClCCC1CCCC1 AC1057 [0,1,0,1,0,0|1,0,1]=4 331 B8R1.8 N#CC=C1CCCC1 20860 [0,1,0,1,0,0|1,0,1]=4 332 B8R1.8 NNCC1CCCC1 P11240 [0,1,0,1,0,0|1,0,1]=4 333 B8R1.8 O=CCC1CCCC1 F11683 [0,1,0,1,0,0|0,0,0]=2 334 B8R1.8 OCC[C@H]1CCCN1 50275 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.8 OCC[C@H]1CCCN1 62964 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.11 C#CC1CCCC1O 30575 [0,1,0,1,0,0|1,0,1]=4 337 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [0,1,0,1,0,0|2,0,0]=4 339 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [0,1,0,1,0,0|2,0,0]=4 340 B8R1.11 C[C@H]1CNC[C@@H]1CO C77269 [0,1,0,1,0,0|0,0,2]=4 341 B8R1.11 N#C[C@H]1COCC1=O P13840 [0,1,0,1,0,0|1,0,1]=4 342 B8R1.11 NCC1CCCC1N F20645 [0,1,0,1,0,0|1,0,1]=4 343 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,1,0,1,0,0|1,0,0]=3 344 B8R1.11 O=C1CCC=C1CO E70389 [0,1,0,1,0,0|1,0,1]=4 345 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,1,0,1,0,0|1,0,0]=3 346 B8R1.11 O=C1NCC[C@@H]1CO P12214 [0,1,0,1,0,0|1,0,0]=3 347 B8R1.12 OC[C@H]1CC[C@H]1CO W19717 [0,1,0,1,0,0|0,0,2]=4 348 B8R1.60 CCC1(CN)COC1 32774 [0,1,0,1,0,0|1,0,1]=4 349 B8R1.82 COC1(CCN)CC1 P18937 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.82 N#CC1(CCO)CC1 F30354 [0,1,0,1,0,0|1,0,1]=4 351 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [0,1,0,1,0,0|1,0,0]=3 352 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.7 CC(C)[C@@H]1CCCN1 P15226 [0,1,0,1,0,0|2,0,0]=4 354 B8R1.7 CC(C)[C@@H]1CCCN1 P15234 [0,1,0,1,0,0|2,0,0]=4 355 B8R1.7 CC(C)[C@H]1CCNC1 P15823 [0,1,0,1,0,0|1,0,1]=4 356 B8R1.7 CC(C)[C@H]1CCNC1 P17781 [0,1,0,1,0,0|1,0,1]=4 357 B8R1.7 C[C@H](N)C1CCCC1 66137 [0,1,0,1,0,0|1,0,1]=4 358 B8R1.7 C[C@H](N)C1CCCC1 83604 [0,1,0,1,0,0|1,0,1]=4 359 B8R1.7 N=C(N)[C@@H]1CCCN1 D72051 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.7 N=C(N)[C@@H]1CCCO1 C75904 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.7 NC(=O)N1CCCC1 32811 [0,1,0,1,0,0|1,0,0]=3 362 B8R1.7 NC(=O)[C@H]1CCNC1 31795 [0,1,0,1,0,0|1,0,0]=3 363 B8R1.7 NC(=O)[C@H]1CCNC1 37190 [0,1,0,1,0,0|1,0,0]=3 364 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [0,1,0,1,0,0|1,0,0]=3 365 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [0,1,0,1,0,0|1,0,0]=3 366 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.7 O=C(O)[C@@H]1COCN1 A11387 [0,1,0,1,0,0|2,0,0]=4 368 B8R1.7 O=C(O)[C@@H]1COCN1 C73113 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [0,1,0,1,0,0|1,0,0]=3 370 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [0,1,0,1,0,0|1,0,0]=3 371 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [0,1,0,1,0,0|1,0,0]=3 372 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [0,1,0,1,0,0|1,0,0]=3 373 B8R1.31 CC1NCC1C(=O)O P14366 [0,1,0,1,0,0|1,0,0]=3 374 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [0,1,0,1,0,0|1,0,0]=3 375 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [0,1,0,1,0,0|1,0,0]=3 376 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [0,1,0,1,0,0|1,0,0]=3 377 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [0,1,0,1,0,0|1,0,0]=3 378 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [0,1,0,1,0,0|1,0,0]=3 379 B8R1.63 C#CC1(C(=O)O)CC1 93656 [0,1,0,1,0,0|0,0,2]=4 380 B8R1.63 CC(C)C1(CO)CC1 P15864 [0,1,0,1,0,0|0,0,2]=4 381 B8R1.63 CCC1(C(=O)O)CC1 P15303 [0,1,0,1,0,0|0,0,0]=2 382 B8R1.63 COC1(C(=O)O)CC1 92150 [0,1,0,1,0,0|1,0,0]=3 383 B8R1.63 NC(=O)C1(CO)CC1 AC2953 [0,1,0,1,0,0|1,0,0]=3 384 B8R1.63 O=C(O)C1(CBr)CC1 F30357 [0,1,0,1,0,0|1,0,0]=3 385 B8R1.63 O=C(O)C1(CO)CC1 F53113 [0,1,0,1,0,0|1,0,0]=3 386 B8R1.52 CC1(C=O)CCCC1 90941 [0,1,0,1,0,0|0,0,0]=2 387 B8R1.52 CC1(CN)CCCC1 72592 [0,1,0,1,0,0|1,0,1]=4 388 B8R1.52 CC1(CO)CCCC1 90940 [0,1,0,1,0,0|0,0,2]=4 389 B8R1.52 NCC1(O)CCCC1 37961 [0,1,0,1,0,0|1,0,1]=4 390 B8R2.22 C1CC2CNC2C1 D78832 [0,0,0,2,0,0|1,0,1]=4 391 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 P10331 [0,0,0,2,0,0|2,0,0]=4 392 B8R2.34 C1CC2CC1CN2 D73537 [0,0,0,2,0,0|1,0,1]=4 393 B8R2.34 C1CC2CC1CN2 P10332 [0,0,0,2,0,0|1,0,1]=4 394 B8R2.34 C1CC2CCC1C2 F16610 [0,0,0,2,0,0|1,0,1]=4 395 B8R2.34 C1CC2CCC1N2 39142 [0,0,0,2,0,0|2,0,0]=4 396 B8R2.55 C1CC2(CC2)CN1 80452 [0,0,0,2,0,0|1,0,1]=4 397 B8R2.55 C1CC2(CC2)CN1 P11718 [0,0,0,2,0,0|1,0,1]=4 398 B8R2.55 C1CNC2(C1)CC2 AT12544 [0,0,0,2,0,0|2,0,0]=4 399 B8R2.19 O=C1CCC12CC2 P10135 [0,0,0,2,0,0|0,0,0]=2 400 B8R2.19 O[C@H]1CCC12CC2 D96738 [0,0,0,2,0,0|0,0,2]=4