0 B6R0.6 BrCCNCCBr 35649 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 C#CCCCCI C74272 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCCCCN 79352 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 C=CCNCCO W12833 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.6 CCOCCCBr A11082 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.6 CCOCCON W15834 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.6 CC\C=C/CCI 98107 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 CNCCCCBr C74879 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.6 CNCCCCN D80538 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.6 ClCCOCCI 12079 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.6 N#CCCCCBr D77353 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.6 NCCCCCBr 97997 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.6 NCCNCCN D81398 [0,0,0,0,0,0|0,0,0]=0 13 B6R0.6 O=NCNCCO D93315 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.6 OCCCCCO D77911 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.6 OCCOCCF AT25497 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.2 C#CCCCI C78094 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.2 C#CCCCN 72839 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.2 C#CCOCC C90311 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.2 CCCCON 31644 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.2 CNOCCN D97505 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.2 COCCCO D77912 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.2 NCCCCCl F19552 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.2 NC\C=C\CN E70437 [1,0,0,0,0,0|0,0,2]=3 24 B5R0.2 NNCCCO AB9423 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.2 O=CCCCO 55817 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.1 C=CCCCCNC R10008 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.1 CCCNCCCO AB4057 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.1 CNCCOCCO C70229 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.1 COCCOCCI AT13077 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.1 FCCCCCCBr A50948 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.1 N#CCCNCCO D94844 [0,1,0,0,0,0|1,0,1]=3 32 B7R0.1 N#CCCOCCO Y11313 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.1 NCCCCCCBr D83295 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.1 NCCCCCCS F31196 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.1 NCCCNCCS W12623 [0,1,0,0,0,0|1,0,0]=2 36 B7R0.1 NCCCOCCO W11222 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.4 C=CCNCC(F)F W17677 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.4 CC(C)CCCCBr C74820 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.4 CCCNCC(C)C AC1640 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.4 C[C@H](Cl)CCCCCl A12620 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.4 NCCNCC(=O)O FD21628 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.7 C=C(CCBr)CCBr W15711 [0,1,0,0,0,0|3,0,0]=4 43 B7R0.7 CCC[C@H](Br)CCBr D94373 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.7 CCC[C@H](N)CCO AT20461 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.7 CCC[C@H](N)CCO I11080 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.7 CCC[C@H](N)CCO N12794 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.7 CN(CCO)CCO A10780 [0,1,0,0,0,0|2,0,0]=3 48 B7R1.1 CC[C@H]1CCCN1 F16886 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.1 FC[C@H]1CCCN1 37688 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.1 FC[C@H]1CCCN1 P11073 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.1 N#C[C@@H]1CCCN1 37678 [0,0,0,1,0,0|1,0,2]=4 52 B7R1.1 N#C[C@@H]1CCCN1 68253 [0,0,0,1,0,0|1,0,2]=4 53 B7R1.1 N#C[C@@H]1CCCN1 68254 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.1 NCC1CCCC1 P10292 [0,0,0,1,0,0|2,0,0]=3 55 B7R1.1 NC[C@H]1CCCN1 83159 [0,0,0,1,0,0|1,0,0]=2 56 B7R1.1 NC[C@H]1CCCO1 83007 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.1 NC[C@H]1CCCO1 S11127 [0,0,0,1,0,0|2,0,0]=3 58 B7R1.1 NC[C@H]1CCOC1 37316 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.1 NC[C@H]1CCOC1 68891 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.1 NC[C@H]1CCOC1 P12031 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.1 NNC1CCCC1 BL010355 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.1 NOC1CCCC1 97655 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.1 OC[C@H]1CCCO1 66575 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.3 BrC1=CCCNC1 D97153 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.3 C[C@H]1CCCCN1 C73894 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.3 C[C@H]1CCCNC1 36405 [0,0,0,1,0,0|2,0,0]=3 67 B7R1.3 C[C@H]1CNCCO1 24564 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.3 C[C@H]1CNCCO1 27729 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.3 C[C@H]1CNCCO1 F13460 [0,0,0,1,0,0|2,0,0]=3 70 B7R1.3 C[C@H]1CNCCO1 P11013 [0,0,0,1,0,0|2,0,0]=3 71 B7R1.3 C[C@H]1COCCN1 72593 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.3 F[C@H]1CCCNC1 37161 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.3 F[C@H]1CCCNC1 37162 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.3 NC1=NCCCN1 AC1271 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.3 N[C@@H]1C=CCCC1 D84435 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.3 N[C@H]1CCCNC1 C72133 [0,0,0,1,0,0|1,0,0]=2 77 B7R1.3 N[C@H]1CCCOC1 F10442 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.3 O=C1CNCCO1 RB3226 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.3 O=C1CSCCN1 23643 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.3 O[C@@H]1C=CCNC1 S11183 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.3 O[C@@H]1CNCCO1 26254 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.3 O[C@H]1CCCOC1 P10754 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.3 O[C@H]1CCCOC1 P10755 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.3 S[C@H]1CCCNC1 P11853 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [0,0,0,1,0,0|3,0,0]=4 86 B7R1.4 CC1CNCC1C P18713 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [0,0,0,1,0,0|2,0,0]=3 90 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [0,0,0,1,0,0|1,0,0]=2 91 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,0,0,1,0,0|2,0,0]=3 92 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.4 F[C@H]1CNC[C@H]1F 83249 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.4 NC1CCCC1N F16273 [0,0,0,1,0,0|1,0,0]=2 98 B7R1.4 NC1COCC1O O11159 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.4 N[C@@H]1COC[C@@H]1F W12424 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.4 N[C@@H]1COC[C@@H]1N P15675 [0,0,0,1,0,0|1,0,0]=2 102 B7R1.4 N[C@@H]1COC[C@@H]1O F53671 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.4 N[C@@H]1COC[C@@H]1O P12686 [0,0,0,1,0,0|2,0,0]=3 104 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [0,0,0,1,0,0|2,0,0]=3 105 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [0,0,0,1,0,0|1,0,0]=2 106 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,0,0,1,0,0|2,0,0]=3 107 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [0,0,0,1,0,0|1,0,0]=2 108 B7R1.4 N[C@H]1CNC[C@@H]1F D72106 [0,0,0,1,0,0|1,0,0]=2 109 B7R1.4 N[C@H]1COC[C@@H]1F W12730 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.4 N[C@H]1COC[C@@H]1N 37783 [0,0,0,1,0,0|1,0,0]=2 111 B7R1.4 N[C@H]1COC[C@@H]1N 37786 [0,0,0,1,0,0|1,0,0]=2 112 B7R1.4 N[C@H]1COC[C@@H]1N P15676 [0,0,0,1,0,0|1,0,0]=2 113 B7R1.4 N[C@H]1COC[C@@H]1O 71841 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.4 N[C@H]1COC[C@@H]1O P12486 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.4 N[C@H]1COC[C@@H]1O P15828 [0,0,0,1,0,0|2,0,0]=3 116 B7R1.4 O[C@@H]1CNC[C@@H]1F 72988 [0,0,0,1,0,0|2,0,0]=3 117 B7R1.4 O[C@H]1CNC[C@@H]1F 38827 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.4 O[C@H]1CNC[C@@H]1F P15834 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.4 O[C@H]1CNC[C@@H]1O 39002 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.4 O[C@H]1CNC[C@@H]1O P15707 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.4 O[C@H]1COC[C@@H]1F 73076 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.4 O[C@H]1COC[C@@H]1O 66690 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.6 COC[C@H]1CCN1 38829 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.6 COC[C@H]1CCN1 P15803 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.6 NCCC1CCC1 P10851 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.6 NCCC1COC1 85783 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.6 NNCC1CCC1 P12716 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.6 OCCC1CCC1 32129 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.6 OCCN1CCC1 70839 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.6 OCC[C@H]1CCO1 P17680 [0,0,0,1,0,0|3,0,0]=4 131 B7R1.7 OCCCC1CC1 F52480 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.8 CN1CC[C@@H]1CN P15857 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.9 NCC1CC1CO C14991 [0,0,0,1,0,0|2,0,0]=3 134 B7R1.9 NC[C@H]1C[C@@H]1CN D79389 [0,0,0,1,0,0|1,0,0]=2 135 B7R1.9 OC[C@H]1C[C@H]1CO P16470 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.24 C1CNCCOC1 80062 [0,0,0,1,0,0|2,0,0]=3 137 B4R0.2 BrCCCBr D77913 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.2 C#CCCN 31177 [2,0,0,0,0,0|0,0,2]=4 139 B4R0.2 C#CCCN 68194 [2,0,0,0,0,0|0,0,2]=4 140 B4R0.2 C=CCNN D79874 [2,0,0,0,0,0|1,0,1]=4 141 B4R0.2 CCCCN T70838 [2,0,0,0,0,0|0,0,0]=2 142 B4R0.2 CCONC AT14498 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.2 COCCI A50601 [2,0,0,0,0,0|2,0,0]=4 144 B4R0.2 CSCCN D73275 [2,0,0,0,0,0|1,0,0]=3 145 B4R0.2 NCCCF 61303 [2,0,0,0,0,0|1,0,0]=3 146 B4R0.2 NCCCN T70045 [2,0,0,0,0,0|0,0,0]=2 147 B4R0.2 NCCCS A11074 [2,0,0,0,0,0|1,0,0]=3 148 B4R0.2 OCCCO D77845 [2,0,0,0,0,0|2,0,0]=4 149 B4R0.2 OCCCS D78398 [2,0,0,0,0,0|2,0,0]=4 150 B4R0.2 SCCCBr 77989 [2,0,0,0,0,0|2,0,0]=4 151 B6R0.1 CCC[C@@H](Br)CC D78429 [1,1,0,0,0,0|2,0,0]=4 152 B6R0.1 CCC[C@H](N)CO C13482 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.1 CCNC(=O)CO 79517 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.1 CCO[C@@H](C)CO 91003 [1,1,0,0,0,0|2,0,0]=4 155 B6R0.1 CC[C@H](S)CCO D84734 [1,1,0,0,0,0|2,0,0]=4 156 B6R0.1 CNC(=O)CCN C75423 [1,1,0,0,0,0|2,0,0]=4 157 B6R0.1 COC[C@@H](O)CN 94767 [1,1,0,0,0,0|2,0,0]=4 158 B6R0.1 NCC[C@H](O)CO F51073 [1,1,0,0,0,0|1,0,0]=3 159 B6R0.1 N[C@H](CO)CCO AB10026 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.1 N[C@H](CO)CCO AB10027 [1,1,0,0,0,0|2,0,0]=4 161 B6R0.1 N[C@H](CS)CCS F52529 [1,1,0,0,0,0|2,0,0]=4 162 B6R0.4 CC(=O)OCCN W11955 [1,1,0,0,0,0|1,0,1]=4 163 B6R0.4 CC(C)OCCBr 33996 [1,1,0,0,0,0|2,0,0]=4 164 B6R0.4 CC(C)OCCN T71353 [1,1,0,0,0,0|1,0,0]=3 165 B6R0.4 CCOC[C@H](C)N 75202 [1,1,0,0,0,0|1,0,0]=3 166 B6R0.4 C[C@H](Cl)CCCCl A11066 [1,1,0,0,0,0|2,0,0]=4 167 B6R0.4 NCCCC(N)=O C72206 [1,1,0,0,0,0|0,0,1]=3 168 B8R0.1 CCNC(=O)NCCN AR2426 [0,2,0,0,0,0|1,0,1]=4 169 B8R0.1 COCCN(C)CCO F18234 [0,2,0,0,0,0|2,0,0]=4 170 B8R0.4 NCCCOCCCO D84663 [0,2,0,0,0,0|2,0,0]=4 171 B8R0.7 CN(C)CCCCCN AC2504 [0,2,0,0,0,0|1,0,0]=3 172 B8R0.7 CN(C)CCOCCO D77714 [0,2,0,0,0,0|2,0,0]=4 173 B8R0.7 NCCCCCC(=O)O P19609 [0,2,0,0,0,0|2,0,0]=4 174 B8R0.7 NCCCCCC(N)=O AC6029 [0,2,0,0,0,0|1,0,0]=3 175 B8R0.7 NCCCCOC(F)F 89966 [0,2,0,0,0,0|2,0,0]=4 176 B6R1.1 C1CCNNC1 71659 [1,0,0,1,0,0|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|1,0,0]=3 179 B6R1.2 C[C@H]1CCSC1 70016 [1,0,0,1,0,0|2,0,0]=4 180 B6R1.2 Cl[C@H]1CCNC1 W15835 [1,0,0,1,0,0|1,0,0]=3 181 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|1,0,0]=3 183 B6R1.2 F[C@H]1CCNC1 P10397 [1,0,0,1,0,0|1,0,0]=3 184 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|1,0,0]=3 189 B6R1.2 O=C1CNCN1 25530 [1,0,0,1,0,0|1,0,1]=4 190 B6R1.2 O[C@H]1CCSC1 50208 [1,0,0,1,0,0|2,0,0]=4 191 B6R1.2 O[C@H]1CNOC1 31712 [1,0,0,1,0,0|2,0,0]=4 192 B6R1.3 BrCCC1CC1 32177 [1,0,0,1,0,0|2,0,0]=4 193 B6R1.3 BrCC[C@H]1CO1 F20905 [1,0,0,1,0,0|2,0,0]=4 194 B6R1.3 ICCC1CC1 73383 [1,0,0,1,0,0|2,0,0]=4 195 B6R1.3 NNCC1CC1 P11241 [1,0,0,1,0,0|2,0,0]=4 196 B6R1.3 NOCC1CC1 59190 [1,0,0,1,0,0|2,0,0]=4 197 B6R1.4 CC1NCC1F P20228 [1,0,0,1,0,0|1,0,0]=3 198 B6R1.4 CC1OCC1O P16543 [1,0,0,1,0,0|2,0,0]=4 199 B6R1.4 C[C@H]1NC[C@@H]1F P20392 [1,0,0,1,0,0|1,0,0]=3 200 B6R1.4 C[C@H]1NC[C@@H]1O D79131 [1,0,0,1,0,0|1,0,0]=3 201 B6R1.4 C[C@H]1NC[C@@H]1O P18430 [1,0,0,1,0,0|1,0,0]=3 202 B6R1.4 NC1CCC1F P20418 [1,0,0,1,0,0|1,0,0]=3 203 B6R1.4 NC1CCC1O 94999 [1,0,0,1,0,0|1,0,0]=3 204 B6R1.4 N[C@@H]1CC[C@@H]1O P18786 [1,0,0,1,0,0|1,0,0]=3 205 B6R1.4 OC1CCC1O D79179 [1,0,0,1,0,0|2,0,0]=4 206 B6R1.4 O[C@H]1CC[C@@H]1O P21043 [1,0,0,1,0,0|2,0,0]=4 207 B6R1.6 BrC[C@H]1CCO1 28585 [1,0,0,1,0,0|2,0,0]=4 208 B6R1.6 BrC[C@H]1CCO1 D97141 [1,0,0,1,0,0|2,0,0]=4 209 B6R1.6 BrC[C@H]1CCO1 P21121 [1,0,0,1,0,0|2,0,0]=4 210 B6R1.6 N#C[C@@H]1CCN1 P18399 [1,0,0,1,0,0|0,0,2]=4 211 B6R1.6 NCC1CNC1 26899 [1,0,0,1,0,0|2,0,0]=4 212 B6R1.6 NC[C@H]1CCN1 20184 [1,0,0,1,0,0|0,0,0]=2 213 B6R1.6 NC[C@H]1CCO1 P20441 [1,0,0,1,0,0|1,0,0]=3 214 B6R1.6 NNC1CCC1 AB1362 [1,0,0,1,0,0|2,0,0]=4 215 B6R1.6 NNC1CCC1 BL010353 [1,0,0,1,0,0|2,0,0]=4 216 B6R1.6 OC[C@H]1CCN1 36269 [1,0,0,1,0,0|1,0,0]=3 217 B6R1.6 OC[C@H]1CCN1 38353 [1,0,0,1,0,0|1,0,0]=3 218 B6R1.6 OC[C@H]1CCN1 38354 [1,0,0,1,0,0|1,0,0]=3 219 B6R1.6 OC[C@H]1CCO1 26540 [1,0,0,1,0,0|2,0,0]=4 220 B6R1.6 OC[C@H]1CCO1 AT10832 [1,0,0,1,0,0|2,0,0]=4 221 B6R1.6 OC[C@H]1CCO1 P19736 [1,0,0,1,0,0|2,0,0]=4 222 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [1,0,0,1,0,0|2,0,0]=4 223 B6R1.8 OC[C@H]1C[C@@H]1F CS3459 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [0,1,0,1,0,0|2,0,0]=4 225 B8R1.2 C#C[C@@H]1CCCCN1 CS2055 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.2 C#C[C@H]1CCCNC1 P11150 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.2 C#C[C@H]1CCCNC1 P11485 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.2 CC[C@H]1CCCCN1 Y10457 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.2 CC[C@H]1CNCCN1 28366 [0,1,0,1,0,0|1,0,0]=3 230 B8R1.2 CC[C@H]1CNCCN1 I11833 [0,1,0,1,0,0|1,0,0]=3 231 B8R1.2 CC[C@H]1COCCN1 F17630 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.2 CC[C@H]1COCCN1 FD6008 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.2 ClC[C@H]1CCCCN1 87776 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.2 FC[C@H]1CCCNC1 24250 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.2 N#C[C@@H]1CCCCN1 CS1001 [0,1,0,1,0,0|1,0,1]=4 236 B8R1.2 N#C[C@@H]1CCCCN1 P16178 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.2 N#C[C@@H]1CCCCN1 P17459 [0,1,0,1,0,0|1,0,1]=4 238 B8R1.2 N#C[C@@H]1CCCCN1 P17460 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.2 N#C[C@@H]1CNCCO1 90459 [0,1,0,1,0,0|1,0,1]=4 240 B8R1.2 N#C[C@@H]1CNCCO1 F18970 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.2 N#C[C@@H]1CNCCO1 F18991 [0,1,0,1,0,0|1,0,1]=4 242 B8R1.2 N#C[C@@H]1COCCN1 F17609 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.2 N#C[C@H]1CCCNC1 81492 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.2 N#C[C@H]1CCCNC1 81537 [0,1,0,1,0,0|1,0,1]=4 245 B8R1.2 N#C[C@H]1CCCNC1 P11046 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.2 N#C[C@H]1CCCNC1 P18961 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.2 NCC1CCSCC1 P11855 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.2 NCC1CCSCC1 P17457 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.2 NC[C@H]1CCCOC1 SC1491 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.2 NC[C@H]1COCCO1 39092 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.2 NC[C@H]1COCCO1 39093 [0,1,0,1,0,0|2,0,0]=4 252 B8R1.2 NN[C@H]1CCCOC1 P17922 [0,1,0,1,0,0|2,0,0]=4 253 B8R1.2 O=C[C@@H]1CCCCN1 62054 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.2 OC[C@H]1CCCNC1 36372 [0,1,0,1,0,0|2,0,0]=4 255 B8R1.2 OC[C@H]1CCCNC1 F14592 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.2 OC[C@H]1CCCNC1 H10949 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.2 OC[C@H]1CNCCN1 C14871 [0,1,0,1,0,0|1,0,0]=3 258 B8R1.2 OC[C@H]1CNCCN1 I11571 [0,1,0,1,0,0|1,0,0]=3 259 B8R1.2 OC[C@H]1CNCCO1 25692 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.2 OC[C@H]1CNCCO1 SC3851 [0,1,0,1,0,0|2,0,0]=4 261 B8R1.2 OC[C@H]1COCCN1 25689 [0,1,0,1,0,0|2,0,0]=4 262 B8R1.2 OC[C@H]1COCCN1 26203 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.2 OC[C@H]1COCCN1 P15853 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.5 CC1CCNCC1O 38882 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.5 CC1CNCCC1O 20765 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.5 CC1CNCCC1O 33365 [0,1,0,1,0,0|2,0,0]=4 267 B8R1.5 CC1COCCC1N 33469 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.5 CC1NCCOC1C F12405 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [0,1,0,1,0,0|2,0,0]=4 271 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [0,1,0,1,0,0|2,0,0]=4 273 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.5 C[C@H]1CNCCN1C 37822 [0,1,0,1,0,0|1,0,0]=3 275 B8R1.5 C[C@H]1CNCCN1C P11245 [0,1,0,1,0,0|1,0,0]=3 276 B8R1.5 C[C@H]1CNCCN1C Y10614 [0,1,0,1,0,0|1,0,0]=3 277 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.5 NC1CCOCC1O P16839 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.5 N[C@@H]1CCOC[C@@H]1F P14573 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.5 N[C@@H]1CCOC[C@@H]1O P14531 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.5 N[C@@H]1CCOC[C@@H]1O P19745 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.5 N[C@@H]1COCC[C@@H]1O P16186 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.5 N[C@H]1CC=CC[C@@H]1N F16351 [0,1,0,1,0,0|1,0,0]=3 285 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.5 N[C@H]1CCCC[C@@H]1F 72976 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.5 N[C@H]1CCCC[C@@H]1F D79011 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.5 N[C@H]1CCCC[C@@H]1F P18297 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.5 N[C@H]1CCCC[C@@H]1N 47900 [0,1,0,1,0,0|1,0,0]=3 290 B8R1.5 N[C@H]1CCCC[C@H]1N A11421 [0,1,0,1,0,0|1,0,0]=3 291 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,1,0,1,0,0|1,0,1]=4 292 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,1,0,1,0,0|1,0,1]=4 293 B8R1.5 N[C@H]1CCOC[C@@H]1F P14548 [0,1,0,1,0,0|2,0,0]=4 294 B8R1.5 N[C@H]1CCOC[C@@H]1F P14593 [0,1,0,1,0,0|2,0,0]=4 295 B8R1.5 N[C@H]1CCOC[C@@H]1O 38664 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.5 N[C@H]1CCOC[C@@H]1O 39432 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.5 N[C@H]1CCOC[C@@H]1O 39433 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.5 N[C@H]1COCC[C@@H]1F P21120 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.5 N[C@H]1COCC[C@@H]1O P14664 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.5 O[C@@H]1CCNC[C@@H]1F 37699 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.5 O[C@@H]1CCNC[C@@H]1F 39257 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.5 O[C@@H]1CCNC[C@@H]1F P15698 [0,1,0,1,0,0|2,0,0]=4 303 B8R1.5 O[C@H]1CCNC[C@@H]1F 37698 [0,1,0,1,0,0|2,0,0]=4 304 B8R1.5 O[C@H]1CCNC[C@@H]1F P13776 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.5 O[C@H]1CCNC[C@@H]1O P10847 [0,1,0,1,0,0|2,0,0]=4 306 B8R1.5 O[C@H]1CCNC[C@@H]1O P17759 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.5 O[C@H]1CNCC[C@@H]1F P14517 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.5 O[C@H]1CNCC[C@H]1O P15637 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.8 C=CC[C@H]1CCCN1 N16954 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.8 CNC[C@H]1CCCN1 P18036 [0,1,0,1,0,0|1,0,0]=3 311 B8R1.8 COC[C@H]1CCCN1 11152 [0,1,0,1,0,0|2,0,0]=4 312 B8R1.8 COC[C@H]1CCCN1 11153 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.8 COC[C@H]1CCCN1 71289 [0,1,0,1,0,0|2,0,0]=4 314 B8R1.8 NCCC1OCCO1 T71082 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.8 NNCC1CCCC1 P11240 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.8 OCC[C@H]1CCCN1 50275 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.8 OCC[C@H]1CCCN1 62964 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.10 OCCCN1CCC1 70850 [0,1,0,1,0,0|2,0,0]=4 319 B8R1.11 CN1CCC[C@@H]1CBr N13118 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.11 CN1CCC[C@@H]1CCl D83790 [0,1,0,1,0,0|2,0,0]=4 321 B8R1.11 CN1CCC[C@@H]1CN 39178 [0,1,0,1,0,0|1,0,0]=3 322 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.11 CO[C@H]1CNC[C@@H]1F 38828 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.11 CO[C@H]1CNC[C@@H]1O 38826 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.11 CO[C@H]1CNC[C@@H]1O P14110 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.11 CO[C@H]1CNC[C@H]1O P17936 [0,1,0,1,0,0|2,0,0]=4 329 B8R1.11 C[C@H]1CNC[C@@H]1CO C77269 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.11 NCC1CCCC1N F20645 [0,1,0,1,0,0|1,0,0]=3 331 B8R1.11 NC[C@@H]1COC[C@@H]1O P14613 [0,1,0,1,0,0|2,0,0]=4 332 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,1,0,1,0,0|2,0,0]=4 333 B8R1.11 NC[C@H]1COC[C@@H]1O P14625 [0,1,0,1,0,0|2,0,0]=4 334 B8R1.11 OCC1CNCC1O 73097 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.22 CC1CNCCNC1 70848 [0,1,0,1,0,0|1,0,0]=3 336 B8R1.22 C[C@H]1CCCCCN1 D79537 [0,1,0,1,0,0|2,0,0]=4 337 B8R1.22 C[C@H]1CCCCCN1 D79538 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.22 C[C@H]1CCCCCN1 W10101 [0,1,0,1,0,0|2,0,0]=4 339 B8R1.22 C[C@H]1CCCCNC1 72971 [0,1,0,1,0,0|2,0,0]=4 340 B8R1.22 C[C@H]1CCNCCN1 70847 [0,1,0,1,0,0|1,0,0]=3 341 B8R1.22 C[C@H]1CNCCCO1 72856 [0,1,0,1,0,0|2,0,0]=4 342 B8R1.22 C[C@H]1CNCCOC1 73160 [0,1,0,1,0,0|2,0,0]=4 343 B8R1.22 NC1=NCCCCC1 D85903 [0,1,0,1,0,0|1,0,1]=4 344 B8R1.22 N[C@H]1CCCNCC1 36658 [0,1,0,1,0,0|1,0,0]=3 345 B8R1.22 N[C@H]1CNCCOC1 P20272 [0,1,0,1,0,0|1,0,0]=3 346 B8R1.22 O=C1CCCCCN1 D94502 [0,1,0,1,0,0|2,0,0]=4 347 B8R1.22 O=C1CCNCCN1 58405 [0,1,0,1,0,0|1,0,0]=3 348 B8R1.22 O=C1CNCCNC1 77718 [0,1,0,1,0,0|1,0,1]=4 349 B8R1.22 OC1CNCCNC1 77717 [0,1,0,1,0,0|1,0,0]=3 350 B8R1.36 NCCNCC1CC1 P18278 [0,1,0,1,0,0|1,0,0]=3 351 B8R1.36 OCCNCC1CC1 AC1354 [0,1,0,1,0,0|2,0,0]=4 352 B8R1.1 NCC1CCC(F)C1 72980 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.1 NCC1CCC(O)C1 72949 [0,1,0,1,0,0|2,0,0]=4 354 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [0,1,0,1,0,0|1,0,1]=4 356 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [0,1,0,1,0,0|1,0,1]=4 357 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [0,1,0,1,0,0|1,0,1]=4 358 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [0,1,0,1,0,0|1,0,1]=4 359 B8R1.1 NC[C@H]1CC[C@H](F)C1 72985 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.1 N[C@@H]1CN[C@@H](CO)C1 91826 [0,1,0,1,0,0|1,0,0]=3 361 B8R1.1 OC[C@@H]1C[C@H](F)CN1 D79544 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.1 OC[C@@H]1C[C@H](O)CN1 S10025 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,1,0,1,0,0|1,0,1]=4 364 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,1,0,1,0,0|1,0,1]=4 365 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,1,0,1,0,0|1,0,1]=4 366 B8R1.3 C[C@H]1CN[C@@H](C)CN1 38272 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.3 C[C@H]1CN[C@@H](C)CN1 W12505 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.3 NC1CCC(Br)CC1 FD10595 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,1,0,1,0,0|1,0,1]=4 371 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,1,0,1,0,0|1,0,1]=4 372 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,1,0,1,0,0|1,0,1]=4 373 B8R1.3 N[C@H]1CC[C@@H](F)CC1 72603 [0,1,0,1,0,0|2,0,0]=4 374 B8R1.3 N[C@H]1CC[C@@H](N)CC1 T70349 [0,1,0,1,0,0|2,0,0]=4 375 B8R1.47 NCC1CC(CO)C1 P14791 [0,1,0,1,0,0|2,0,0]=4 376 B8R1.47 OC[C@@H]1C[C@H](CO)N1 P20757 [0,1,0,1,0,0|2,0,0]=4 377 B8R1.52 CC1(CN)CCCC1 72592 [0,1,0,1,0,0|2,0,0]=4 378 B8R1.52 C[C@]1(CN)CCCO1 P18524 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.52 C[C@]1(CO)CCCN1 38943 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.52 NCC1(O)CCCC1 37961 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.4 CC1CC(O)CCN1 33466 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.4 CC1CC(O)CCN1 P17258 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.4 CC1CNCC(C)O1 F18860 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.4 CC1CNCC(O)C1 AC5056 [0,1,0,1,0,0|2,0,0]=4 385 B8R1.4 CC1COCC(C)N1 P10582 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.4 CN1CCC[C@H](N)C1 37174 [0,1,0,1,0,0|1,0,0]=3 387 B8R1.4 CN1CCC[C@H](N)C1 37175 [0,1,0,1,0,0|1,0,0]=3 388 B8R1.4 CN1CCC[C@H](N)C1 F13528 [0,1,0,1,0,0|1,0,0]=3 389 B8R1.4 CN1CCC[C@H](N)C1 P12011 [0,1,0,1,0,0|1,0,0]=3 390 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [0,1,0,1,0,0|2,0,0]=4 391 B8R1.4 C[C@@H]1CNC[C@H](C)C1 F12546 [0,1,0,1,0,0|2,0,0]=4 392 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,1,0,1,0,0|2,0,0]=4 395 B8R1.4 C[C@H]1CN(C)CCN1 32818 [0,1,0,1,0,0|1,0,0]=3 396 B8R1.4 C[C@H]1CN(C)CCN1 F12507 [0,1,0,1,0,0|1,0,0]=3 397 B8R1.4 C[C@H]1CN(C)CCN1 F12510 [0,1,0,1,0,0|1,0,0]=3 398 B8R1.4 C[C@H]1CN(C)CCN1 P15101 [0,1,0,1,0,0|1,0,0]=3 399 B8R1.4 C[C@H]1CN(C)CCN1 P18658 [0,1,0,1,0,0|1,0,0]=3 400 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,1,0,1,0,0|1,0,1]=4 401 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,1,0,1,0,0|1,0,1]=4 402 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,1,0,1,0,0|1,0,1]=4 403 B8R1.4 C[C@H]1CNC[C@H](C)N1 39071 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.4 C[C@H]1CNC[C@H](C)N1 98320 [0,1,0,1,0,0|1,0,0]=3 405 B8R1.4 C[C@H]1CNC[C@H](C)O1 38409 [0,1,0,1,0,0|2,0,0]=4 406 B8R1.4 C[C@H]1CNC[C@H](C)O1 70211 [0,1,0,1,0,0|2,0,0]=4 407 B8R1.4 C[C@H]1COC[C@@H](C)N1 38385 [0,1,0,1,0,0|2,0,0]=4 408 B8R1.4 C[C@H]1COC[C@H](C)N1 77576 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.4 C[C@H]1COC[C@H](C)N1 S10555 [0,1,0,1,0,0|2,0,0]=4 410 B8R1.4 C[C@H]1COC[C@H](C)N1 S12093 [0,1,0,1,0,0|2,0,0]=4 411 B8R1.4 NC1COCC(O)C1 91463 [0,1,0,1,0,0|2,0,0]=4 412 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10768 [0,1,0,1,0,0|2,0,0]=4 413 B8R1.4 N[C@@H]1CCC[C@H](O)C1 C14447 [0,1,0,1,0,0|2,0,0]=4 414 B8R1.4 N[C@@H]1CCC[C@H](O)C1 F11498 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P15640 [0,1,0,1,0,0|1,0,0]=3 417 B8R1.4 N[C@H]1CCC[C@H](F)C1 72992 [0,1,0,1,0,0|2,0,0]=4 418 B8R1.4 N[C@H]1CCC[C@H](N)C1 T70693 [0,1,0,1,0,0|1,0,0]=3 419 B8R1.4 N[C@H]1CCC[C@H](O)C1 P15600 [0,1,0,1,0,0|2,0,0]=4 420 B8R1.4 N[C@H]1CCC[C@H](O)C1 P17839 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.6 NCCN1CC(O)C1 AC3487 [0,1,0,1,0,0|1,0,0]=3 422 B8R1.6 OCCN1CC(F)C1 D79128 [0,1,0,1,0,0|2,0,0]=4 423 B8R1.7 CC(C)[C@@H]1CCCN1 P15226 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.7 CC(C)[C@@H]1CCCN1 P15234 [0,1,0,1,0,0|2,0,0]=4 425 B8R1.7 C[C@H](N)C1CCCC1 66137 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.7 C[C@H](N)C1CCCC1 83604 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.7 N=C(N)[C@@H]1CCCN1 D72051 [0,1,0,1,0,0|1,0,1]=4 428 B8R1.19 C[C@]1(O)CCC[C@@H]1N D79341 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.19 N[C@H]1CCCC1(F)F W10037 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.19 O[C@H]1CNCC1(F)F P14305 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.35 CC(C)CNC1CC1 AC2517 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.48 NC[C@H]1CCC1(F)F P13855 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.72 CC1(C)CNCCO1 20348 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.72 C[C@]1(O)CCCNC1 37167 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.72 C[C@]1(O)CCCNC1 P18955 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.72 C[C@]1(O)CCCNC1 Y10737 [0,1,0,1,0,0|2,0,0]=4 437 B8R2.22 C1CC2CNC2C1 D78832 [0,0,0,2,0,0|2,0,0]=4 438 B8R2.34 C1CC2CC1CN2 D73537 [0,0,0,2,0,0|2,0,0]=4 439 B8R2.34 C1CC2CC1CN2 P10332 [0,0,0,2,0,0|2,0,0]=4 440 B8R2.34 C1CC2CCC1N2 39142 [0,0,0,2,0,0|2,0,0]=4 441 B8R2.34 C1OC2CNC1C2 CS1881 [0,0,0,2,0,0|2,0,0]=4 442 B8R2.34 C1OC2CNC1C2 SC1961 [0,0,0,2,0,0|2,0,0]=4 443 B8R2.34 C1O[C@@H]2CN[C@H]1C2 38911 [0,0,0,2,0,0|2,0,0]=4 444 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12383 [0,0,0,2,0,0|2,0,0]=4 445 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P14495 [0,0,0,2,0,0|2,0,0]=4 446 B8R2.55 C1CNC2(C1)CC2 AT12544 [0,0,0,2,0,0|2,0,0]=4 447 B8R2.23 C1NCC2CC1N2 F18876 [0,0,0,2,0,0|1,0,0]=3 448 B8R2.25 C1CNC2CC2C1 70876 [0,0,0,2,0,0|2,0,0]=4 449 B8R2.25 C1CNC2CC2N1 P18856 [0,0,0,2,0,0|1,0,0]=3 450 B8R2.42 C1CC2(C1)CCN2 38572 [0,0,0,2,0,0|2,0,0]=4 451 B8R2.42 C1CC2(C1)CCN2 83734 [0,0,0,2,0,0|2,0,0]=4 452 B8R2.24 C1CC1NC2CC2 67289 [0,0,0,2,0,0|2,0,0]=4