0 B6R0.6 C#CCCCCN D76652 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCNCCO AT20718 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.6 C#CCSCCN AT19952 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C#CCSCCO AT19948 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.6 C=CCSCCN AT25545 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.6 COCCCCN C77605 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.6 ClCCNCCCl AB10357 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.6 N#CCCCCN AC2033 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.6 NCCOCCF AT12496 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.6 NCCSCCO AT25550 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.6 O=CNCCCO AC9004 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.6 OCCNCCO AB10274 [0,0,0,0,0,0|0,0,0]=0 12 B6R0.6 OCCOCCI C77657 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.6 [2H]OCCCCC D99155 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.2 C#CCNCC AT19974 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.2 CCCCNN AC6660 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.2 CCCCNO AT14838 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.2 CCCNOC AT24927 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.2 CONCCO AT24903 [1,0,0,0,0,0|1,0,0]=2 19 B5R0.2 C\C=C\CCN AT22492 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.2 N#CCCCN N13271 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.2 NCC#CCO AT19985 [1,0,0,0,0,0|1,0,2]=4 22 B5R0.2 NCCCNN W10659 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.2 NCCCNO AT14843 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.2 NNCCCO W10664 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.2 NOCCCO P16653 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.2 [2H]OCCCC D98922 [1,0,0,0,0,0|3,0,0]=4 27 B7R0.1 C#CCNCCCN AT19978 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.1 C#CCOCCON C70682 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.1 C=CCCCCCCl I11994 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.1 C=CCCCCCO F14745 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.1 CNCCCCCO AT11157 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.1 CNCCCCCO AT11158 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.1 COCCNCCO AT12488 [0,1,0,0,0,0|0,0,0]=1 34 B7R0.1 COCCOCCN F50617 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.1 COCCOCCS AT10124 [0,1,0,0,0,0|1,1,0]=3 36 B7R0.1 ClCCSSCCCl AT21151 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.1 NCCSCCCO AT25557 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.1 NCCSSCCN AT21144 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.1 O=CCCCCCCl 24359 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.1 OCC#CC#CCO T72262 [0,1,0,0,0,0|1,0,2]=4 41 B7R0.1 OCCCCCCI AT14272 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.1 OCCCNCCO FD7298 [0,1,0,0,0,0|0,0,0]=1 43 B7R0.1 OCC\C=C\CCO AT19969 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.3 CCCC[C@H](N)CO D75114 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.3 CCCC[C@H](N)CO H10583 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.3 CCCNC(=O)CN C78397 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.3 CNC(=O)NCCO AT23083 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.3 C[C@@H](CCCO)NN D88053 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.4 C#CCNCC(=O)O AT20711 [0,1,0,0,0,0|1,0,2]=4 50 B7R0.4 CC(C)CSCCN AT25570 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.4 FC(F)COCCCl AT25481 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.4 NCCOCC(F)F AT25482 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.4 NCCSCC(=O)O AT25571 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.4 NCCSCC(F)F AT25560 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.4 OCCCOC(F)F 89959 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.4 OCCNCC(F)F AT25468 [0,1,0,0,0,0|1,0,0]=2 57 B7R0.7 CCC[C@H](N)CCO N15481 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.7 CCC[C@H](N)CCO N15482 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.7 O=C(CCBr)CCBr 52047 [0,1,0,0,0,0|3,0,0]=4 60 B7R1.1 C#C[C@@H]1CCCN1 P11309 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.1 C#C[C@@H]1CCCN1 P12571 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.1 C#C[C@@H]1CCCN1 P12581 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.1 C#C[C@@H]1CCCN1 P15993 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.1 CCC1CCCC1 T71889 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.1 CC[C@H]1CCCN1 N12693 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.1 ClC[C@H]1CCCN1 87778 [0,0,0,1,0,0|2,0,0]=3 67 B7R1.1 ClC[C@H]1CCCN1 D76474 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.1 FC[C@H]1CCCN1 AT24807 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.1 FC[C@H]1CCCN1 P12668 [0,0,0,1,0,0|2,0,0]=3 70 B7R1.1 N#C[C@@H]1CCCN1 74927 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.1 N#C[C@@H]1CCCN1 C16310 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.1 NC[C@H]1CCCN1 C16283 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.1 NC[C@H]1CCCN1 FD10638 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.1 NC[C@H]1CCCN1 S10708 [0,0,0,1,0,0|2,0,0]=3 75 B7R1.1 OC[C@H]1CCCN1 11147 [0,0,0,1,0,0|1,0,0]=2 76 B7R1.1 ONC1CCCC1 33366 [0,0,0,1,0,0|3,0,0]=4 77 B7R1.1 ONC1CCCC1 33756 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.3 BrC1=CCCNC1 D85784 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.3 Br[C@H]1CCCNC1 C14028 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.3 C=C1CCCNC1 W15931 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.3 C[C@H]1CCCCN1 N14212 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.3 C[C@H]1CCCNC1 F14484 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.3 C[C@H]1CNCCS1 AT10751 [0,0,0,1,0,0|1,1,0]=3 84 B7R1.3 C[C@H]1CNCCS1 AT25278 [0,0,0,1,0,0|1,1,0]=3 85 B7R1.3 C[C@H]1CSCCN1 AT10756 [0,0,0,1,0,0|3,0,0]=4 86 B7R1.3 C[C@H]1CSCCN1 AT10759 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.3 N[C@H]1CCCOC1 F31015 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.3 N[C@H]1CCCOC1 P11042 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.4 CC1CNCC1O 72148 [0,0,0,1,0,0|1,0,0]=2 90 B7R1.4 CC1CNCC1O AT22587 [0,0,0,1,0,0|1,0,0]=2 91 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.4 C[C@@H]1CNC[C@@H]1N AT23641 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.4 C[C@@H]1CNC[C@@H]1N F13020 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.4 C[C@@H]1CNC[C@@H]1N F13021 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.4 C[C@H]1CNCC1=O F13737 [0,0,0,1,0,0|1,0,2]=4 96 B7R1.4 F[C@H]1CNC[C@H]1F AT14980 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.4 NC1CCCC1N 77840 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.4 NC1COCC1O F19779 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.4 N[C@@H]1CCC[C@@H]1O P12481 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.4 N[C@@H]1COC[C@@H]1O F53614 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.4 N[C@@H]1COC[C@@H]1O P17902 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.4 N[C@H]1COC[C@@H]1O P17884 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.4 OC1COCC1Br AC8201 [0,0,0,1,0,0|2,0,0]=3 104 B7R1.4 O[C@H]1CCC[C@@H]1O W19719 [0,0,0,1,0,0|1,0,0]=2 105 B7R1.4 O[C@H]1CNC[C@@H]1F P15635 [0,0,0,1,0,0|1,0,0]=2 106 B7R1.4 O[C@H]1CNC[C@@H]1O AT22802 [0,0,0,1,0,0|0,0,0]=1 107 B7R1.5 C=CC[C@H]1C[C@@H]1O F50023 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.6 NCCN1CCC1 F30399 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.6 OCC[C@H]1CCN1 D76473 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.6 OCC[C@H]1CCN1 F50335 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.7 NCCOC1CC1 AT11523 [0,0,0,1,0,0|3,0,0]=4 112 B7R1.7 OCCNC1CC1 AT25786 [0,0,0,1,0,0|1,0,0]=2 113 B7R1.8 OC[C@H]1CC[C@@H]1O D79582 [0,0,0,1,0,0|1,0,0]=2 114 B7R1.9 NC[C@@H]1C[C@@H]1CO AT20747 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.9 OC[C@H]1C[C@@H]1CO AT12391 [0,0,0,1,0,0|1,0,0]=2 116 B7R1.24 C1=CCCNCC1 C13802 [0,0,0,1,0,0|2,0,0]=3 117 B7R1.24 C1CCCNCC1 D77224 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.24 C1CCNNCC1 AB9014 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.24 C1CNCCSC1 W16417 [0,0,0,1,0,0|1,1,0]=3 120 B4R0.2 CCNCC T70517 [2,0,0,0,0,0|0,0,0]=2 121 B4R0.2 CNCCS AT25552 [2,0,0,0,0,0|0,1,0]=3 122 B4R0.2 COCCS AT13674 [2,0,0,0,0,0|1,1,0]=4 123 B4R0.2 NCCCI AC8002 [2,0,0,0,0,0|2,0,0]=4 124 B4R0.2 NCCCN T70141 [2,0,0,0,0,0|2,0,0]=4 125 B4R0.2 NCCCN T70477 [2,0,0,0,0,0|2,0,0]=4 126 B4R0.2 NCCNO AT14839 [2,0,0,0,0,0|1,0,0]=3 127 B4R0.2 [2H]OCCC D99167 [2,0,0,0,0,0|2,0,0]=4 128 B6R0.1 C=CC[C@H](N)CO N11070 [1,1,0,0,0,0|1,0,1]=4 129 B6R0.1 C=CC[C@H](N)CO N11385 [1,1,0,0,0,0|1,0,1]=4 130 B6R0.1 C=CC[C@H](N)CO N15485 [1,1,0,0,0,0|1,0,1]=4 131 B6R0.1 CCC[C@H](C)CBr S11885 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.1 CC[C@H](N)CCO AT22371 [1,1,0,0,0,0|1,0,0]=3 133 B6R0.1 CNC[C@H](O)CO 56523 [1,1,0,0,0,0|2,0,0]=4 134 B6R0.1 CNC[C@H](O)CO 56531 [1,1,0,0,0,0|2,0,0]=4 135 B6R0.1 COC[C@@H](C)CO O10176 [1,1,0,0,0,0|2,0,0]=4 136 B6R0.1 COC[C@@H](N)CO 91276 [1,1,0,0,0,0|2,0,0]=4 137 B6R0.1 COC[C@@H](N)CO 91277 [1,1,0,0,0,0|2,0,0]=4 138 B6R0.1 COC[C@@H](N)CO C90595 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.1 CSC[C@@H](N)CO 96818 [1,1,0,0,0,0|2,0,0]=4 140 B6R0.1 CSC[C@@H](N)CO 96819 [1,1,0,0,0,0|2,0,0]=4 141 B6R0.1 C[C@H](CN)CCO AT20757 [1,1,0,0,0,0|1,0,0]=3 142 B6R0.1 C[C@H](CO)CCO 96740 [1,1,0,0,0,0|0,0,0]=2 143 B6R0.1 C\C(=C\CO)CO C92111 [1,1,0,0,0,0|0,0,2]=4 144 B6R0.1 NC[C@@H](N)CCO AT20759 [1,1,0,0,0,0|1,0,0]=3 145 B6R0.1 N[C@H](CO)CCO AB10001 [1,1,0,0,0,0|0,0,0]=2 146 B6R0.1 O[C@H](CCl)CCCl T70626 [1,1,0,0,0,0|2,0,0]=4 147 B6R0.4 C=C(C)CCCO 71061 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.4 CC(C)OCCS AT13760 [1,1,0,0,0,0|1,1,0]=4 149 B6R0.4 CCNCC(=O)O T72729 [1,1,0,0,0,0|0,0,1]=3 150 B6R0.4 CCNC[C@H](C)O 91070 [1,1,0,0,0,0|0,0,0]=2 151 B6R0.4 C[C@H](N)CCCO AT20758 [1,1,0,0,0,0|1,0,0]=3 152 B6R0.4 C[C@H](O)CCC#N F51113 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.4 C[C@H](O)CCCBr A11305 [1,1,0,0,0,0|1,0,0]=3 154 B6R0.4 C[C@H](O)CCCN AT20756 [1,1,0,0,0,0|1,0,0]=3 155 B6R0.4 NC(=O)CCCO AT20755 [1,1,0,0,0,0|0,0,2]=4 156 B6R0.4 NC(=S)NCCO AT24984 [1,1,0,0,0,0|0,1,1]=4 157 B6R0.4 NCCCC(=O)O T70552 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.4 O=[N+]([O-])CCCO A12344 [1,1,0,0,0,0|1,0,1]=4 159 B6R0.4 [2H][C@H](Br)CCCC D99408 [1,1,0,0,0,0|2,0,0]=4 160 B8R0.1 C#CCN(C)CCOC AT20723 [0,2,0,0,0,0|1,0,1]=4 161 B8R0.1 CCCC[C@H](N)CCO D73273 [0,2,0,0,0,0|2,0,0]=4 162 B8R0.1 CCNC(=O)NCCO AT23087 [0,2,0,0,0,0|1,0,1]=4 163 B8R0.4 C=CCCNCCOC E72576 [0,2,0,0,0,0|1,0,0]=3 164 B8R0.4 CNCCCCCCO AT11159 [0,2,0,0,0,0|2,0,0]=4 165 B8R0.4 COCCNCCCO FD7300 [0,2,0,0,0,0|0,0,0]=2 166 B8R0.4 NCCCCCCCO AT22494 [0,2,0,0,0,0|2,0,0]=4 167 B8R0.4 OCCCOCCCCl D84666 [0,2,0,0,0,0|2,0,0]=4 168 B8R0.6 C#C[C@@H](O)CCCCC 51060 [0,2,0,0,0,0|2,0,0]=4 169 B8R0.6 C#C[C@@H](O)CCCCC T72294 [0,2,0,0,0,0|2,0,0]=4 170 B8R0.6 CC[C@H](C)CCCCO T72651 [0,2,0,0,0,0|2,0,0]=4 171 B8R0.6 N#C[C@@H](O)CCCCO AC4705 [0,2,0,0,0,0|1,0,0]=3 172 B8R0.7 CCCCNCC(=O)O D87235 [0,2,0,0,0,0|1,0,1]=4 173 B8R0.7 NC(=O)CCCCCO AC6170 [0,2,0,0,0,0|1,0,1]=4 174 B8R0.7 O=C(O)CCOCCBr C70446 [0,2,0,0,0,0|2,0,0]=4 175 B8R0.7 O=C(O)CCOCCO C70447 [0,2,0,0,0,0|1,0,0]=3 176 B8R0.7 OCCCCOC(F)F 89957 [0,2,0,0,0,0|2,0,0]=4 177 B8R0.7 OCCCOCC(F)F AT25477 [0,2,0,0,0,0|2,0,0]=4 178 B8R0.7 [2H][C@H](O)CCCCCC D99646 [0,2,0,0,0,0|2,0,0]=4 179 B8R0.3 CCCC(C)C(N)CO AT16873 [0,2,0,0,0,0|2,0,0]=4 180 B8R0.9 CC(C)CC[C@H](N)CO AT16865 [0,2,0,0,0,0|2,0,0]=4 181 B8R0.19 CC(CO)NC(C)CO O10556 [0,2,0,0,0,0|0,0,0]=2 182 B8R0.19 CCC(C)CC(N)CO AT16871 [0,2,0,0,0,0|2,0,0]=4 183 B8R0.25 CCCC[C@](C)(N)CO AT11270 [0,2,0,0,0,0|2,0,0]=4 184 B8R0.21 OCCSCC(F)(F)F AT25499 [0,2,0,0,0,0|2,0,0]=4 185 B8R0.21 [2H]C([2H])(O)CCCCC D99028 [0,2,0,0,0,0|2,0,0]=4 186 B8R0.28 CC(C)CNCC(C)C A11894 [0,2,0,0,0,0|2,0,0]=4 187 B8R0.22 CCN(CCCl)CCCl A10425 [0,2,0,0,0,0|2,0,0]=4 188 B8R0.22 O=NN(CCO)CCO T71599 [0,2,0,0,0,0|0,0,0]=2 189 B8R0.30 CC(C)(CCO)CCO AT18917 [0,2,0,0,0,0|1,0,0]=3 190 B8R0.30 OCCC(F)(F)CCO AT19977 [0,2,0,0,0,0|1,0,0]=3 191 B6R1.1 C1CCNCC1 S11730 [1,0,0,1,0,0|1,0,0]=3 192 B6R1.1 C1CCONC1 P10408 [1,0,0,1,0,0|1,0,0]=3 193 B6R1.1 C1CNCOC1 C72764 [1,0,0,1,0,0|1,0,0]=3 194 B6R1.2 C[C@H]1CCNC1 71655 [1,0,0,1,0,0|1,0,0]=3 195 B6R1.2 FC1CCCC1 T71800 [1,0,0,1,0,0|2,0,0]=4 196 B6R1.2 F[C@H]1CCNC1 FD10498 [1,0,0,1,0,0|1,0,0]=3 197 B6R1.2 O[C@H]1CNOC1 AT14847 [1,0,0,1,0,0|1,0,0]=3 198 B6R1.4 CC1CCC1N W15200 [1,0,0,1,0,0|2,0,0]=4 199 B6R1.4 CC1NCC1O P13360 [1,0,0,1,0,0|0,0,0]=2 200 B6R1.4 CC1OCC1N P20429 [1,0,0,1,0,0|2,0,0]=4 201 B6R1.4 C[C@H]1NC[C@@H]1O AT24512 [1,0,0,1,0,0|0,0,0]=2 202 B6R1.4 N[C@H]1CC[C@@H]1O AT10977 [1,0,0,1,0,0|1,0,0]=3 203 B6R1.6 ClC[C@H]1CCO1 32069 [1,0,0,1,0,0|1,0,0]=3 204 B6R1.6 N#C[C@@H]1CCN1 P14909 [1,0,0,1,0,0|1,0,1]=4 205 B6R1.8 CC1CC1CBr P20770 [1,0,0,1,0,0|2,0,0]=4 206 B6R1.8 CC[C@H]1C[C@@H]1N AT11453 [1,0,0,1,0,0|2,0,0]=4 207 B6R1.8 CC[C@H]1C[C@@H]1N AT11457 [1,0,0,1,0,0|2,0,0]=4 208 B6R1.8 C[C@@H]1C[C@@H]1CBr 55223 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.2 CC[C@H]1CCCCN1 N11156 [0,1,0,1,0,0|2,0,0]=4 210 B8R1.2 CC[C@H]1CNCCO1 D75750 [0,1,0,1,0,0|1,0,0]=3 211 B8R1.2 CC[C@H]1COCCN1 F19074 [0,1,0,1,0,0|1,0,0]=3 212 B8R1.2 ClC[C@H]1CNCCO1 F13328 [0,1,0,1,0,0|1,0,0]=3 213 B8R1.2 N#C[C@@H]1CNCCN1 C14364 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.2 N#C[C@@H]1CNCCN1 C15176 [0,1,0,1,0,0|2,0,0]=4 215 B8R1.2 N#C[C@@H]1CNCCO1 F18992 [0,1,0,1,0,0|1,0,0]=3 216 B8R1.2 N#C[C@@H]1CNCCO1 F19038 [0,1,0,1,0,0|1,0,0]=3 217 B8R1.2 NO[C@H]1CCCOC1 97661 [0,1,0,1,0,0|2,0,0]=4 218 B8R1.2 OCC1=CCCCO1 S11090 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.2 OC[C@H]1CNCCN1 I11797 [0,1,0,1,0,0|1,0,0]=3 220 B8R1.2 OC[C@H]1COCCO1 D82528 [0,1,0,1,0,0|1,0,0]=3 221 B8R1.5 CC1CCNCC1O 38881 [0,1,0,1,0,0|1,0,0]=3 222 B8R1.5 CC1NCCCC1O W19147 [0,1,0,1,0,0|1,0,0]=3 223 B8R1.5 CC1NCCSC1C AT25273 [0,1,0,1,0,0|1,1,0]=4 224 B8R1.5 C[C@@H]1CCNC[C@@H]1O 38884 [0,1,0,1,0,0|1,0,0]=3 225 B8R1.5 C[C@@H]1CNCC[C@@H]1O A11539 [0,1,0,1,0,0|1,0,0]=3 226 B8R1.5 C[C@@H]1NCCN[C@H]1C AT24345 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.5 C[C@H]1CCNC[C@@H]1O P12384 [0,1,0,1,0,0|1,0,0]=3 228 B8R1.5 C[C@H]1CCNC[C@@H]1O W19323 [0,1,0,1,0,0|1,0,0]=3 229 B8R1.5 NC1CCCCC1O F13372 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.5 NC1CCOCC1O AT20154 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.5 N[C@@H]1CCCC[C@@H]1O F53834 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.5 N[C@H]1CCNC[C@@H]1O D76889 [0,1,0,1,0,0|1,0,0]=3 233 B8R1.5 N[C@H]1CCOC[C@@H]1O AT20174 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.5 N[C@H]1CCOC[C@@H]1O P19349 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.5 O=C1CCNC[C@@H]1Br F13559 [0,1,0,1,0,0|1,0,1]=4 236 B8R1.5 O=C1CCNC[C@@H]1Br F13560 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.5 O=C1CCNC[C@@H]1F P11685 [0,1,0,1,0,0|1,0,1]=4 238 B8R1.5 O[C@H]1CNCC[C@H]1O 37852 [0,1,0,1,0,0|0,0,0]=2 239 B8R1.8 C=CC[C@H]1CCCN1 N15483 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.8 CCCC1=NCCO1 T72500 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.8 CCC[C@H]1CCCN1 N12832 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.8 COC[C@H]1CCCN1 C77885 [0,1,0,1,0,0|1,0,0]=3 243 B8R1.8 N#CC[C@H]1CCCO1 35201 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.8 NCC[C@H]1CCCO1 AT11471 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.8 OCC[C@H]1CCCO1 56770 [0,1,0,1,0,0|1,0,0]=3 246 B8R1.8 OCC[C@H]1CCNC1 C16745 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.8 OCC[C@H]1CCNC1 D84329 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.10 COCC[C@H]1CCN1 F50258 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.10 COCC[C@H]1CCN1 F50334 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.10 OCCOC1COC1 C93352 [0,1,0,1,0,0|1,0,0]=3 251 B8R1.11 C#C[C@H]1CCC[C@@H]1O AC6480 [0,1,0,1,0,0|2,0,0]=4 252 B8R1.11 CC1COCC1CO 50120 [0,1,0,1,0,0|2,0,0]=4 253 B8R1.11 CO[C@H]1CCC[C@@H]1N AT13762 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11485 [0,1,0,1,0,0|1,0,0]=3 255 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11487 [0,1,0,1,0,0|1,0,0]=3 256 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11488 [0,1,0,1,0,0|1,0,0]=3 257 B8R1.11 NC[C@@H]1COC[C@@H]1O P18479 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.11 NC[C@H]1COC[C@@H]1O P18478 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.11 N[C@H]1CCC[C@H]1CO AT21374 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.11 OC[C@H]1CNC[C@@H]1O AT10999 [0,1,0,1,0,0|0,0,0]=2 261 B8R1.11 OC[C@H]1OCC[C@@H]1O E71898 [0,1,0,1,0,0|1,0,0]=3 262 B8R1.12 C#CC1CCC1CO 58315 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.12 CO[C@H]1CC[C@@H]1CO D79583 [0,1,0,1,0,0|1,0,0]=3 264 B8R1.22 C[C@H]1CCCCCN1 AT22104 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.22 C[C@H]1CCNCCN1 AT20047 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.22 C[C@H]1CCNCCN1 AT20048 [0,1,0,1,0,0|2,0,0]=4 267 B8R1.22 C[C@H]1CCNCCN1 AT20119 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.22 C[C@H]1CNCCCN1 70846 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.22 C[C@H]1CNCCCN1 AT20050 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.22 C[C@H]1COCCCN1 AT11435 [0,1,0,1,0,0|1,0,0]=3 271 B8R1.22 FC1CNCCNC1 90916 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.22 F[C@H]1CCCNCC1 72531 [0,1,0,1,0,0|2,0,0]=4 273 B8R1.22 I[C@H]1CCCOCC1 55131 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.22 N[C@H]1CCCCNC1 F13105 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.22 O[C@H]1CCCCNC1 73004 [0,1,0,1,0,0|1,0,0]=3 276 B8R1.22 O[C@H]1CCCOCC1 55130 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.22 O[C@H]1CNCCOC1 F13213 [0,1,0,1,0,0|0,0,0]=2 278 B8R1.36 CCCCC[C@H]1CO1 T72538 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.49 C1CNCCCNC1 C90170 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.1 N[C@@H]1CN[C@@H](CO)C1 91823 [0,1,0,1,0,0|1,0,0]=3 281 B8R1.1 N[C@@H]1CN[C@H](CO)C1 91824 [0,1,0,1,0,0|1,0,0]=3 282 B8R1.1 OCC1CCC(F)C1 AT22250 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.1 OC[C@H]1C[C@H](O)CN1 F13011 [0,1,0,1,0,0|0,0,0]=2 284 B8R1.3 CC1CNC(C)CN1 AC2834 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.3 CC1CNC(C)CN1 AT23784 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.3 CC1COC(C)CN1 F12415 [0,1,0,1,0,0|1,0,0]=3 287 B8R1.3 C[C@H]1CC[C@H](C)NC1 29624 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.3 C[C@H]1CN[C@H](C)CO1 S11084 [0,1,0,1,0,0|1,0,0]=3 291 B8R1.3 OC1CCC(Br)CC1 P19527 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.38 N[C@@H](CO)C1CCC1 N11362 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.40 N[C@H](CO)CC1CC1 D75110 [0,1,0,1,0,0|2,0,0]=4 294 B8R1.40 N[C@H](CO)CC1CC1 D75111 [0,1,0,1,0,0|2,0,0]=4 295 B8R1.40 N[C@H](CO)CC1CC1 N13000 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.50 CC1C(=O)NCC1O 94942 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.50 N[C@@H]1CC[C@@H](O)[C@H]1O AT10559 [0,1,0,1,0,0|1,0,0]=3 298 B8R1.52 CC1(CN)OCCO1 C77580 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.52 C[C@]1(CN)CCCO1 38865 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.52 C[C@]1(CO)CCCN1 AT21799 [0,1,0,1,0,0|1,0,0]=3 301 B8R1.52 OCC1(F)CCCC1 85748 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.4 CC1CNCC(C)S1 AT10825 [0,1,0,1,0,0|1,1,0]=4 303 B8R1.4 CC1CNC[C@H](C)O1 F18928 [0,1,0,1,0,0|1,0,0]=3 304 B8R1.4 CN1CCC[C@H](N)C1 F13063 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.4 CN1CCC[C@H](O)C1 AC6069 [0,1,0,1,0,0|1,0,0]=3 306 B8R1.4 C[C@@H]1C[C@@H](N)CCO1 D79034 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.4 C[C@H]1CN(C)CCN1 C14012 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.4 C[C@H]1CN(C)CCN1 F12388 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.4 C[C@H]1CN(C)CCN1 P11099 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.4 C[C@H]1CN(C)CCN1 S10064 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.4 C[C@H]1CNC[C@@H](C)O1 F18871 [0,1,0,1,0,0|1,0,0]=3 312 B8R1.4 C[C@H]1CNC[C@@H](O)C1 AT13824 [0,1,0,1,0,0|1,0,0]=3 313 B8R1.4 C[C@H]1CNC[C@H](C)N1 38269 [0,1,0,1,0,0|2,0,0]=4 314 B8R1.4 C[C@H]1CNC[C@H](C)N1 P18598 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.4 C[C@H]1CNC[C@H](C)O1 F18885 [0,1,0,1,0,0|1,0,0]=3 316 B8R1.4 NC1COCC(O)C1 W16026 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.4 N[C@H]1CCC[C@H](O)C1 F11499 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.4 N[C@H]1CCC[C@H](O)C1 P19975 [0,1,0,1,0,0|2,0,0]=4 319 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 AT24349 [0,1,0,1,0,0|0,0,0]=2 321 B8R1.6 CCCN1CC(O)C1 P19017 [0,1,0,1,0,0|1,0,0]=3 322 B8R1.7 CC(C)[C@@H]1CCCN1 P10941 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.7 CC(C)[C@@H]1CCCN1 P12433 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.7 CC(N)C1CCCO1 D75138 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.7 CC(O)[C@@H]1CCCN1 AT26535 [0,1,0,1,0,0|1,0,0]=3 326 B8R1.7 C[C@H](N)C1CCCO1 79855 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.7 C[C@H](N)C1CCCO1 79856 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.7 C[C@H](N)C1CCCO1 79857 [0,1,0,1,0,0|2,0,0]=4 329 B8R1.7 C[C@H](N)C1CCCO1 79858 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.7 FC(F)[C@@H]1CCCN1 P14661 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.19 CC1(C)CNC[C@@H]1O AT22517 [0,1,0,1,0,0|1,0,0]=3 332 B8R1.19 CC1(C)CNC[C@@H]1O W18256 [0,1,0,1,0,0|1,0,0]=3 333 B8R1.35 CC(C)CNC1CC1 AC5587 [0,1,0,1,0,0|2,0,0]=4 334 B8R1.72 CC1(C)CCCNC1 F30179 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.72 FC1(F)CCCNC1 W16714 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.18 N[C@H]1C[C@H](O)[C@H](O)C1 F50033 [0,1,0,1,0,0|1,0,0]=3 337 B8R1.37 CN(CCN)C1CC1 AT25788 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.66 NC1(CCO)CCC1 89656 [0,1,0,1,0,0|2,0,0]=4 339 B8R2.34 C1CC2CCC1O2 T72216 [0,0,0,2,0,0|2,0,0]=4 340 B8R2.34 C1NC2CNC1C2 F18865 [0,0,0,2,0,0|2,0,0]=4 341 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F12544 [0,0,0,2,0,0|2,0,0]=4 342 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F19020 [0,0,0,2,0,0|2,0,0]=4 343 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12317 [0,0,0,2,0,0|1,0,0]=3 344 B8R2.55 C1CCC2(C1)CO2 AC8865 [0,0,0,2,0,0|2,0,0]=4 345 B8R2.55 C1CNC2(C1)CC2 80414 [0,0,0,2,0,0|2,0,0]=4 346 B8R2.2 CC12CCCC1O2 AT16552 [0,0,0,2,0,0|2,0,0]=4 347 B8R2.2 C[C@]12CCCC1O2 F50046 [0,0,0,2,0,0|2,0,0]=4 348 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D74723 [0,0,0,2,0,0|2,0,0]=4 349 B8R2.20 OC[C@H]1CC12CC2 D73422 [0,0,0,2,0,0|2,0,0]=4 350 B8R2.24 C1CC1NC2CC2 D76800 [0,0,0,2,0,0|2,0,0]=4