0 B7R1.3 BrC1=CC=NC=C1 AK-47562 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 BrC1CCCCC1 AK-77686 [0,0,0,0,0,0|1,0,3]=4 2 B7R1.3 C1=C(C)C=NN=C1 AK-30760 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.3 C1=C(C=NN=C1)N AK-23741 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.3 C1=C(Cl)C=CN=C1 AK-50078 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.3 C1=CC=NN=C1N AK-21777 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.3 C1=CC=NN=C1N AK-23968 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.3 C1=CN=CN=C1N AK-24798 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.3 C1C(=O)CCNC1 AK-46400 [0,0,0,0,0,0|1,0,2]=3 9 B7R1.3 CC1=NC=NC=C1 AK-34763 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.3 C[C@@H]1CNCCC1 AK141528 [0,0,0,0,0,0|2,0,2]=4 11 B7R1.3 C[C@H]1CNCCC1 AK-93998 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.3 ClC1=CC=NN=C1 AK-76794 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.3 ClC1=NC=NC=C1 AK-87917 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.3 FC1=CC=NC=C1 AK-61793 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.3 IC1=CC=CC=C1 AK-88660 [0,0,0,0,0,0|1,0,3]=4 16 B7R1.3 IC1=CC=CN=C1 AK-46371 [0,0,0,0,0,0|2,0,2]=4 17 B7R1.3 IC1=CC=NC=C1 AK-47904 [0,0,0,0,0,0|2,0,2]=4 18 B7R1.3 IC1=NC=CC=C1 AK-43060 [0,0,0,0,0,0|2,0,2]=4 19 B7R1.3 N1=CN=C(C=C1)O AK-25153 [0,0,0,0,0,0|2,0,2]=4 20 B7R1.3 NC1=CC=NN=C1 AK170584 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.3 NC1=NCCCN1 AK128358 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.3 NC1CNCCC1 AK-33202 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.3 NN1CCCCC1 AK109255 [0,0,0,0,0,0|2,0,2]=4 24 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.3 N[C@@H]1COCCC1 AK-77753 [0,0,0,0,0,0|2,0,2]=4 26 B7R1.3 N[C@H]1CCCNC1 AK-34730 [0,0,0,0,0,0|2,0,2]=4 27 B7R1.3 N[C@H]1CNCCC1 AK-33065 [0,0,0,0,0,0|2,0,2]=4 28 B7R1.3 N[C@H]1CNCCC1 AK-34731 [0,0,0,0,0,0|2,0,2]=4 29 B7R1.3 N[C@H]1COCCC1 AK-77571 [0,0,0,0,0,0|2,0,2]=4 30 B7R1.3 O1CCCC(C1)O AK-32117 [0,0,0,0,0,0|1,0,3]=4 31 B7R1.3 O=C1C=CC=NN1 AK-29318 [0,0,0,0,0,0|2,0,1]=3 32 B7R1.3 O=C1C=COC=C1 AK110934 [0,0,0,0,0,0|1,0,2]=3 33 B7R1.3 O=C1CCCCO1 AK101117 [0,0,0,0,0,0|1,0,1]=2 34 B7R1.3 O=C1CCCOC1 AK-32516 [0,0,0,0,0,0|1,0,1]=2 35 B7R1.3 O=C1CCOCC1 AK-25731 [0,0,0,0,0,0|1,0,2]=3 36 B7R1.3 O=C1CCSCC1 AK-25499 [0,0,0,0,0,0|1,0,2]=3 37 B7R1.3 O=C1CNCCC1 AK-38925 [0,0,0,0,0,0|1,0,1]=2 38 B7R1.3 O=C1CNCCC1 AK-64363 [0,0,0,0,0,0|1,0,1]=2 39 B7R1.3 O=C1COCC=C1 AK120133 [0,0,0,0,0,0|1,0,0]=1 40 B7R1.3 O=C1COCCN1 AK-37649 [0,0,0,0,0,0|2,0,1]=3 41 B7R1.3 O=C1CSCCC1 AK112945 [0,0,0,0,0,0|1,0,1]=2 42 B7R1.3 O=C1NC=CN=C1 AK-24500 [0,0,0,0,0,0|2,0,2]=4 43 B7R1.3 O=C1NC=NC=C1 Ak-75843 [0,0,0,0,0,0|2,0,1]=3 44 B7R1.3 O=C1NCCC=C1 AK110027 [0,0,0,0,0,0|1,0,0]=1 45 B7R1.3 O=C1NCCCN1 AK-40132 [0,0,0,0,0,0|2,0,1]=3 46 B7R1.3 O=C1NCCNC1 AK-26132 [0,0,0,0,0,0|2,0,1]=3 47 B7R1.3 O=C1NCCSC1 AK-94004 [0,0,0,0,0,0|2,0,1]=3 48 B7R1.3 O=C1OCCOC1 AK117129 [0,0,0,0,0,0|2,0,1]=3 49 B7R1.3 O=S1OCCCO1 AK307879 [0,0,0,0,0,0|3,0,1]=4 50 B7R1.3 OC1=CC=CN=C1 AK-44238 [0,0,0,0,0,0|1,0,3]=4 51 B7R1.3 OC1=CC=NC=C1 AK110406 [0,0,0,0,0,0|1,0,3]=4 52 B7R1.3 OC1=CN=NC=C1 AK-28962 [0,0,0,0,0,0|2,0,2]=4 53 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [0,0,0,0,0,0|1,0,3]=4 54 B7R1.3 O[C@H]1CCCNC1 AK-29273 [0,0,0,0,0,0|1,0,3]=4 55 B7R1.3 [S-]C1=CC=CC=C1 AK316593 [0,0,0,0,0,0|0,1,3]=4 56 B6R1.1 C1=CC=CC=C1 AK137956 [1,0,0,0,0,0|0,0,3]=4 57 B6R1.1 C1=NN=CC=C1 AK120859 [1,0,0,0,0,0|2,0,1]=4 58 B6R1.1 C1CC=CCN1 AK-91689 [1,0,0,0,0,0|1,0,1]=3 59 B6R1.1 C1CCNNC1 AK-81490 [1,0,0,0,0,0|2,0,1]=4 60 B6R1.1 O1CNCCC1 AK-82623 [1,0,0,0,0,0|2,0,1]=4 61 B6R1.1 O1NCCCC1 AK156568 [1,0,0,0,0,0|2,0,1]=4 62 B6R1.1 [NH2+]1CCCCC1 AK-41004 [1,0,0,0,0,0|1,0,2]=4 63 B6R1.1 [NH2+]1CCCCC1 AK-97257 [1,0,0,0,0,0|1,0,2]=4 64 B8R1.2 N#CC1=CCCCO1 AK-78862 [0,1,0,0,0,0|2,0,1]=4 65 B8R1.2 N1=CN=C(C=C1)C=O AK-23925 [0,1,0,0,0,0|2,0,1]=4 66 B8R1.2 O=CC1=CC=NC=C1 AK-50192 [0,1,0,0,0,0|1,0,2]=4 67 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,1,0,0,0,0|1,0,2]=4 68 B8R1.3 IC1=CNC(=O)C=C1 AK-25382 [0,1,0,0,0,0|1,0,2]=4 69 B8R1.3 O=C1C=CC(=NN1)Cl AK-24013 [0,1,0,0,0,0|2,0,1]=4 70 B8R1.3 O=C1C=CC(Br)=NN1 AK125403 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.3 O=C1C=CC(C)=NN1 AK-33134 [0,1,0,0,0,0|2,0,1]=4 72 B8R1.3 O=C1C=CC(Cl)=CN1 AK-30015 [0,1,0,0,0,0|1,0,2]=4 73 B8R1.3 O=C1C=CC(N)=CN1 AK-30033 [0,1,0,0,0,0|1,0,2]=4 74 B8R1.3 O=C1C=CC(N)=NN1 AK113263 [0,1,0,0,0,0|2,0,1]=4 75 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [0,1,0,0,0,0|0,0,3]=4 76 B8R1.3 O=C1CCC(C)=NN1 AK-88553 [0,1,0,0,0,0|2,0,1]=4 77 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,1,0,0,0,0|0,0,2]=3 78 B8R1.3 O=C1COC(O)C=C1 AK-82130 [0,1,0,0,0,0|1,0,0]=2 79 B8R1.3 O=C1NCC(N)CC1 AK132996 [0,1,0,0,0,0|1,0,1]=3 80 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,1,0,0,0,0|1,0,1]=3 81 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [0,1,0,0,0,0|1,0,1]=3 82 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,1,0,0,0,0|1,0,1]=3 83 B8R1.3 OC1=CNC(=O)C=C1 AK-86050 [0,1,0,0,0,0|1,0,2]=4 84 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,1,0,0,0,0|0,0,2]=3 85 B8R1.4 CC1=CC(C=CN1)=O AK-25534 [0,1,0,0,0,0|1,0,2]=4 86 B8R1.4 CC1=CC(NN=C1)=O AK-39857 [0,1,0,0,0,0|2,0,1]=4 87 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,1,0,0,0,0|2,0,1]=4 88 B8R1.4 ClC1=CC(NC=N1)=O AK-23859 [0,1,0,0,0,0|2,0,1]=4 89 B8R1.4 IC1=CC(=O)NC=C1 AK-30137 [0,1,0,0,0,0|1,0,2]=4 90 B8R1.4 N1CCC(CC1=O)=O AK-23571 [0,1,0,0,0,0|1,0,1]=3 91 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,1,0,0,0,0|1,0,1]=3 92 B8R1.4 NC=1CCCC(C1)=O AK-49851 [0,1,0,0,0,0|0,0,0]=1 93 B8R1.4 O=C1C=C(Br)C=CN1 AK-75682 [0,1,0,0,0,0|1,0,2]=4 94 B8R1.4 O=C1C=C(Cl)C=NN1 AK-36026 [0,1,0,0,0,0|2,0,1]=4 95 B8R1.4 O=C1C=C(Cl)NC=C1 AK-26966 [0,1,0,0,0,0|1,0,2]=4 96 B8R1.4 O=C1C=C(F)C=CN1 AK-29630 [0,1,0,0,0,0|1,0,2]=4 97 B8R1.4 O=C1C=C(I)C=NN1 AK-39251 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.4 O=C1C=C(N)C=NN1 AK-86654 [0,1,0,0,0,0|2,0,1]=4 99 B8R1.4 O=C1C=C(NC=N1)N AK-25319 [0,1,0,0,0,0|2,0,1]=4 100 B8R1.4 O=C1C=CC=C(C)N1 AK-29158 [0,1,0,0,0,0|1,0,2]=4 101 B8R1.4 O=C1C=CC=C(Cl)N1 AK-27743 [0,1,0,0,0,0|1,0,2]=4 102 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,1,0,0,0,0|1,0,2]=4 103 B8R1.4 O=C1CC(CCC1)=O AK-44688 [0,1,0,0,0,0|0,0,1]=2 104 B8R1.4 O=C1CC(COC1)=O AK-32470 [0,1,0,0,0,0|1,0,1]=3 105 B8R1.4 O=C1CSCC(=O)C1 AK-32471 [0,1,0,0,0,0|1,0,1]=3 106 B8R1.4 O=C1CSCC(O1)=O AK307186 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.4 O=C1N=C(N)NC=C1 AK-77015 [0,1,0,0,0,0|2,0,1]=4 108 B8R1.4 O=C1NC(=CC=C1)N AK-28666 [0,1,0,0,0,0|1,0,2]=4 109 B8R1.4 O=C1NC(=NC=C1)N AK-23592 [0,1,0,0,0,0|2,0,1]=4 110 B8R1.4 O=C1NC(=O)CNC1 AK-26011 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.4 O=C1NC(C)=NC=C1 AK-46845 [0,1,0,0,0,0|2,0,1]=4 112 B8R1.4 O=C1NC(C=CN1)=O AK-86824 [0,1,0,0,0,0|2,0,1]=4 113 B8R1.4 O=C1NC=NC(C)=C1 AK-23779 [0,1,0,0,0,0|2,0,1]=4 114 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,1,0,0,0,0|1,0,1]=3 115 B8R1.4 O=C1NCCN(C)C1 AK-77137 [0,1,0,0,0,0|2,0,1]=4 116 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,1,0,0,0,0|1,0,1]=3 117 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [0,1,0,0,0,0|2,0,1]=4 118 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [0,1,0,0,0,0|2,0,1]=4 119 B8R1.4 O=C1[CH-]C(COC1)=O AK-42250 [0,1,0,0,0,0|1,0,1]=3 120 B8R1.5 CC1=CC=CNC1=O AK-32442 [0,1,0,0,0,0|1,0,2]=4 121 B8R1.5 CC1=CC=NNC1=O AK-28464 [0,1,0,0,0,0|2,0,1]=4 122 B8R1.5 CC1=NCCCN1C AK-78909 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.5 CN1C=CC=CC1=O AK-48448 [0,1,0,0,0,0|1,0,2]=4 124 B8R1.5 FC1CCCCC1=O AK-79364 [0,1,0,0,0,0|0,0,2]=3 125 B8R1.5 NC1C=NC=NC1=O AK-39593 [0,1,0,0,0,0|2,0,1]=4 126 B8R1.5 NC1CCCCC1=O AK110393 [0,1,0,0,0,0|0,0,2]=3 127 B8R1.5 NC1CCCNC1=O AK-32522 [0,1,0,0,0,0|1,0,1]=3 128 B8R1.5 O=C1C(Br)=CC=CN1 AK-28771 [0,1,0,0,0,0|1,0,2]=4 129 B8R1.5 O=C1C(C)CNCC1 AK-35717 [0,1,0,0,0,0|1,0,2]=4 130 B8R1.5 O=C1C(C)CNCC1 AK-44679 [0,1,0,0,0,0|1,0,2]=4 131 B8R1.5 O=C1C(CCCC1)=O AK-46655 [0,1,0,0,0,0|0,0,1]=2 132 B8R1.5 O=C1C(N)=CC=CN1 AK-88485 [0,1,0,0,0,0|1,0,2]=4 133 B8R1.5 O=C1C(O)=CC=CO1 AK-77266 [0,1,0,0,0,0|1,0,2]=4 134 B8R1.5 O=C1C(O)=COC=C1 AK109540 [0,1,0,0,0,0|1,0,2]=4 135 B8R1.5 O=C1N(C)CCNC1 AK-38983 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.5 O=C1N(N)CCCC1 AK132922 [0,1,0,0,0,0|1,0,1]=3 137 B8R1.5 O=C1N=CNC=C1O AK-28836 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.5 O=C1NC=NC=C1Br AK-24126 [0,1,0,0,0,0|2,0,1]=4 139 B8R1.5 O=C1NC=NC=C1Br AK-31143 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.5 O=C1NC=NC=C1F AK-23833 [0,1,0,0,0,0|2,0,1]=4 141 B8R1.5 O=C1NC=NC=C1O AK-76929 [0,1,0,0,0,0|2,0,1]=4 142 B8R1.5 O=C1NC=NC=C1O AK155886 [0,1,0,0,0,0|2,0,1]=4 143 B8R1.5 O=C1NCCCC1N AK-58866 [0,1,0,0,0,0|1,0,1]=3 144 B8R1.5 O=C1NCCCC1O AK-25552 [0,1,0,0,0,0|1,0,1]=3 145 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [0,1,0,0,0,0|1,0,1]=3 146 B8R1.5 O=C1NCCN[C@@H]1C AK102951 [0,1,0,0,0,0|2,0,1]=4 147 B8R1.72 O=S1(CCCCO1)=O AK-49451 [0,1,0,0,0,0|2,0,1]=4 148 B6R0.1 CCCC(NN)=O AK-95909 [0,0,1,0,0,0|2,0,0]=3 149 B6R0.1 O=C(NCC)CN AK-65785 [0,0,1,0,0,0|2,0,1]=4 150 B6R0.1 O=C(NN)COC AK110451 [0,0,1,0,0,0|3,0,0]=4 151 B6R0.1 O=C(OC)CCBr AK-91613 [0,0,1,0,0,0|2,0,1]=4 152 B6R0.1 O=C(OC)CCN AK-46776 [0,0,1,0,0,0|2,0,1]=4 153 B6R0.1 O=C(OC)CCO AK-83355 [0,0,1,0,0,0|2,0,1]=4 154 B6R0.1 O=C(OC)CNC AK-58375 [0,0,1,0,0,0|2,0,1]=4 155 B6R0.1 O=C(OC)OCC AK397345 [0,0,1,0,0,0|2,0,1]=4 156 B6R0.1 O=C(OC)\C=C\I AK-49986 [0,0,1,0,0,0|2,0,0]=3 157 B6R0.1 O=C(OCC)CO AK-98662 [0,0,1,0,0,0|2,0,1]=4 158 B6R0.4 CC(CCCCl)=O AK-48368 [0,0,1,0,0,0|1,0,1]=3 159 B6R0.4 CC(OCCBr)=O AK165045 [0,0,1,0,0,0|2,0,1]=4 160 B6R0.4 CCCCC([O-])=O AK163205 [0,0,1,0,0,0|1,0,1]=3 161 B6R0.4 NC(OCCC)=O AK116320 [0,0,1,0,0,0|2,0,1]=4 162 B6R0.4 O=C(N)NCCO AK121931 [0,0,1,0,0,0|3,0,0]=4 163 B6R0.4 O=C(O)CCC#N AK-47909 [0,0,1,0,0,0|2,0,1]=4 164 B6R0.4 O=C(O)CCCCl AK113749 [0,0,1,0,0,0|2,0,0]=3 165 B6R0.4 O=C(O)CCCN AK-43987 [0,0,1,0,0,0|2,0,0]=3 166 B6R0.4 O=C(O)CCNC AK155866 [0,0,1,0,0,0|2,0,1]=4 167 B6R0.4 O=C(O)CCOC AK-88477 [0,0,1,0,0,0|2,0,1]=4 168 B6R0.4 OC(=O)CCC#C AK-32594 [0,0,1,0,0,0|1,0,2]=4 169 B6R0.4 OCNCC(=O)[O-] AK-79027 [0,0,1,0,0,0|3,0,0]=4 170 B6R0.6 C=CCCCCBr AK-48086 [0,0,1,0,0,0|1,0,1]=3 171 B6R0.6 C\C=C\CCCO AK-46431 [0,0,1,0,0,0|2,0,1]=4 172 B6R0.6 ClCCCCC=O AK110863 [0,0,1,0,0,0|1,0,1]=3 173 B6R0.6 O=CCCCCO AK-40206 [0,0,1,0,0,0|1,0,1]=3 174 B6R1.2 BrC1=NOC=C1 AK-32851 [0,0,0,0,1,0|3,0,0]=4 175 B6R1.2 BrC1=N[NH]C=C1 AK-23694 [0,0,0,0,1,0|3,0,0]=4 176 B6R1.2 C1=C([NH]N=C1)C AK-47298 [0,0,0,0,1,0|3,0,0]=4 177 B6R1.2 C1=CSC=C1I AK-73044 [0,0,0,0,1,0|2,0,1]=4 178 B6R1.2 C1=N[NH]C(=C1)N AK-23634 [0,0,0,0,1,0|3,0,0]=4 179 B6R1.2 CC1=CNC=C1 AK-59534 [0,0,0,0,1,0|2,0,1]=4 180 B6R1.2 C[C@@H]1CCCN1 AK-28779 [0,0,0,0,1,0|2,0,1]=4 181 B6R1.2 ClC1=CC=NN1 AK132931 [0,0,0,0,1,0|3,0,0]=4 182 B6R1.2 ClC1=NNC=C1 AK-64806 [0,0,0,0,1,0|3,0,0]=4 183 B6R1.2 IC1=CC=CS1 AK-77599 [0,0,0,0,1,0|2,0,1]=4 184 B6R1.2 IC1=NNC=C1 AK-31094 [0,0,0,0,1,0|3,0,0]=4 185 B6R1.2 N1=CC=C([NH]1)N AK-36860 [0,0,0,0,1,0|3,0,0]=4 186 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [0,0,0,0,1,0|2,0,1]=4 187 B6R1.2 NC1=CC=NO1 AK-46390 [0,0,0,0,1,0|3,0,0]=4 188 B6R1.2 NC1=NCCC1 AK-81762 [0,0,0,0,1,0|2,0,0]=3 189 B6R1.2 NC1=NOC=C1 AK-25502 [0,0,0,0,1,0|3,0,0]=4 190 B6R1.2 O=C1CC=NN1 AK-90809 [0,0,0,0,1,0|2,0,1]=4 191 B6R1.2 O=C1CCNC1 AK-46584 [0,0,0,0,1,0|1,0,1]=3 192 B6R1.2 O=C1CCOC1 AK-27035 [0,0,0,0,1,0|1,0,1]=3 193 B6R1.2 O=C1CSCC1 AK-40135 [0,0,0,0,1,0|1,0,1]=3 194 B6R1.2 O=C1NC=CN1 AK-45238 [0,0,0,0,1,0|2,0,1]=4 195 B6R1.2 O=C1NNC=C1 AK-58738 [0,0,0,0,1,0|2,0,0]=3 196 B6R1.2 O=C1NNCC1 AK-46169 [0,0,0,0,1,0|2,0,0]=3 197 B6R1.2 O=C1NOCC1 AK122832 [0,0,0,0,1,0|2,0,0]=3 198 B6R1.2 O=C1NSC=C1 AK101140 [0,0,0,0,1,0|2,0,0]=3 199 B6R1.2 O=C1OCC=C1 AK163254 [0,0,0,0,1,0|1,0,0]=2 200 B6R1.2 O=C1OCCN1 AK-94050 [0,0,0,0,1,0|2,0,0]=3 201 B6R1.2 O=C1OCCO1 AK101077 [0,0,0,0,1,0|2,0,0]=3 202 B6R1.2 O=C1SCCN1 AK-89361 [0,0,0,0,1,0|2,0,0]=3 203 B6R1.2 OC1=NNC=C1 AK-96005 [0,0,0,0,1,0|2,0,1]=4 204 B8R1.22 C=C1OCCCCO1 AK154780 [0,0,0,0,0,1|2,0,1]=4 205 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,0,0,0,0,1|0,0,2]=3 206 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,0,0,0,0,1|0,0,0]=1 207 B8R1.22 O=C1CNCCCN1 AK-94980 [0,0,0,0,0,1|1,0,1]=3 208 B8R1.22 O=C1NCCNCC1 AK-25582 [0,0,0,0,0,1|1,0,1]=3 209 B8R1.22 O=C1NCCOCC1 AK158455 [0,0,0,0,0,1|1,0,1]=3 210 B8R1.22 O=C1OCCCCC1 AK164169 [0,0,0,0,0,1|0,0,2]=3 211 B5R0.1 C(C(=O)O)NC AK-47434 [1,0,1,0,0,0|2,0,0]=4 212 B5R0.1 CNCC(N)=O AK-90265 [1,0,1,0,0,0|2,0,0]=4 213 B5R0.1 NCCC(N)=O AK-26218 [1,0,1,0,0,0|2,0,0]=4 214 B5R0.1 NCCC(O)=O AK-41261 [1,0,1,0,0,0|2,0,0]=4 215 B5R0.1 O=C(N)CSC AK-34209 [1,0,1,0,0,0|2,0,0]=4 216 B5R0.2 C=CCCCO AK325629 [1,0,1,0,0,0|0,0,1]=3 217 B5R0.3 C=CC(NC)=O AK115593 [1,0,1,0,0,0|1,0,0]=3 218 B5R0.3 CCC(CN)=O AK-38468 [1,0,1,0,0,0|1,0,1]=4 219 B5R0.3 CCC(CO)=O AK149491 [1,0,1,0,0,0|1,0,1]=4 220 B5R0.3 CNC(=O)CCl AK-82796 [1,0,1,0,0,0|2,0,0]=4 221 B5R0.3 NCC(OC)=O AK-43994 [1,0,1,0,0,0|2,0,0]=4 222 B5R0.3 O=C(OC)CO AK-98661 [1,0,1,0,0,0|2,0,0]=4 223 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [0,1,1,0,0,0|1,0,1]=4 224 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [0,1,1,0,0,0|1,0,1]=4 225 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [0,1,1,0,0,0|1,0,1]=4 226 B7R0.3 C=CC(NCCN)=O AK142923 [0,1,1,0,0,0|1,0,0]=3 227 B7R0.3 CCCCC(NN)=O AK114657 [0,1,1,0,0,0|2,0,0]=4 228 B7R0.3 O=C(OC)CCCBr AK-94853 [0,1,1,0,0,0|1,0,1]=4 229 B7R0.3 O=C(OC)CCNC AK-85857 [0,1,1,0,0,0|1,0,1]=4 230 B7R0.5 CCOC(=O)C(C)N AK-46063 [0,1,1,0,0,0|1,0,1]=4 231 B7R0.5 CCOC(=O)C(N)=O AK-45440 [0,1,1,0,0,0|2,0,0]=4 232 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [0,1,1,0,0,0|1,0,1]=4 233 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [0,1,1,0,0,0|1,0,1]=4 234 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [0,1,1,0,0,0|1,0,1]=4 235 B7R0.5 O=C(OCC)C(N)=S AK-45462 [0,1,1,0,0,0|2,0,0]=4 236 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,1,1,0,0,0|1,0,1]=4 237 B7R0.7 CC#CC(OCC)=O AK-44989 [0,1,1,0,0,0|0,0,2]=4 238 B7R0.7 CCOC(=O)CCBr AK-76993 [0,1,1,0,0,0|1,0,1]=4 239 B7R0.7 CCOC(=O)CCO AK-41251 [0,1,1,0,0,0|1,0,1]=4 240 B7R0.7 O=C(COC)COC AK116819 [0,1,1,0,0,0|1,0,1]=4 241 B7R0.7 O=C(NCC)NCC AK116700 [0,1,1,0,0,0|1,0,1]=4 242 B7R0.7 O=C(OCC)CCN AK-49791 [0,1,1,0,0,0|1,0,1]=4 243 B7R0.7 O=C(OCC)CNC AK-44190 [0,1,1,0,0,0|1,0,1]=4 244 B7R0.7 O=C(OCC)\C=C\I AK117013 [0,1,1,0,0,0|1,0,0]=3 245 B7R0.10 CCC(N(OC)C)=O AK130253 [0,1,1,0,0,0|2,0,0]=4 246 B7R0.10 CCC(N)C(OC)=O AK115477 [0,1,1,0,0,0|1,0,1]=4 247 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [0,1,1,0,0,0|1,0,1]=4 248 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [0,1,1,0,0,0|1,0,1]=4 249 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [0,1,1,0,0,0|1,0,1]=4 250 B7R0.4 C#CCCCC(O)=O AK112298 [0,1,1,0,0,0|1,0,1]=4 251 B7R0.4 C(CCC#N)C(O)=O AK-40359 [0,1,1,0,0,0|1,0,1]=4 252 B7R0.4 CC(OCCCCl)=O AK167628 [0,1,1,0,0,0|1,0,1]=4 253 B7R0.4 COCCCC(O)=O AK-76729 [0,1,1,0,0,0|1,0,1]=4 254 B7R0.4 C\C=C\C=C\C([O-])=O AK-47286 [0,1,1,0,0,0|1,0,1]=4 255 B7R0.4 NC(OCCCC)=O AK116656 [0,1,1,0,0,0|1,0,1]=4 256 B7R0.4 O=C(N)COCCCl AK113880 [0,1,1,0,0,0|2,0,0]=4 257 B7R0.4 O=C(O)CCCCBr AK113954 [0,1,1,0,0,0|1,0,1]=4 258 B7R0.4 O=C(O)CCCCCl AK139351 [0,1,1,0,0,0|1,0,1]=4 259 B7R0.4 O=C(O)CCCCO AK198817 [0,1,1,0,0,0|1,0,1]=4 260 B7R0.4 O=C(O)\C=C\OCC AK-46090 [0,1,1,0,0,0|1,0,0]=3 261 B7R0.6 CC(NNC(C)C)=O AK118752 [0,1,1,0,0,0|2,0,0]=4 262 B7R0.1 C=CCCCCCBr AK-40908 [0,1,1,0,0,0|1,0,1]=4 263 B7R0.1 C=CCCCCNC AK142907 [0,1,1,0,0,0|1,0,1]=4 264 B7R1.1 C1=C(SC=C1)C=O AK-26482 [0,1,0,0,1,0|1,0,1]=4 265 B7R1.1 COC1=NCCC1 AK-49858 [0,1,0,0,1,0|1,0,1]=4 266 B7R1.1 O=CC1=CC=CN1 AK-25235 [0,1,0,0,1,0|1,0,1]=4 267 B7R1.1 O=CC1=CNC=C1 AK-36182 [0,1,0,0,1,0|1,0,1]=4 268 B7R1.1 O=CC1=CSC=C1 AK-42964 [0,1,0,0,1,0|1,0,1]=4 269 B7R1.1 [NH]1C=CC(=N1)C=O AK-25900 [0,1,0,0,1,0|2,0,0]=4 270 B7R1.2 FC1COC(=O)O1 AK111108 [0,1,0,0,1,0|2,0,0]=4 271 B7R1.2 N1=C(SCC1=O)N AK-65159 [0,1,0,0,1,0|2,0,0]=4 272 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [0,1,0,0,1,0|1,0,0]=3 273 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [0,1,0,0,1,0|1,0,0]=3 274 B7R1.2 O=C1C=C(NN1)N AK-40891 [0,1,0,0,1,0|2,0,0]=4 275 B7R1.2 O=C1CCC(O1)=O AK139125 [0,1,0,0,1,0|1,0,0]=3 276 B7R1.2 O=C1COC(C)=C1 AK142223 [0,1,0,0,1,0|1,0,0]=3 277 B7R1.2 O=C1N=C(N)OC1 AK-80637 [0,1,0,0,1,0|2,0,0]=4 278 B7R1.2 O=C1N=C(N)SC1 AK-65160 [0,1,0,0,1,0|2,0,0]=4 279 B7R1.2 O=C1NC(CC1)=O AK550047 [0,1,0,0,1,0|1,0,0]=3 280 B7R1.2 O=C1NC(CN1)=O AK307300 [0,1,0,0,1,0|2,0,0]=4 281 B7R1.2 O=C1NC(CO1)=O AK-80133 [0,1,0,0,1,0|2,0,0]=4 282 B7R1.2 O=C1NCC(O)C1 AK-64271 [0,1,0,0,1,0|1,0,0]=3 283 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [0,1,0,0,1,0|1,0,0]=3 284 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [0,1,0,0,1,0|1,0,0]=3 285 B7R1.2 O=C1NN(C)C=C1 AK-67583 [0,1,0,0,1,0|2,0,0]=4 286 B7R1.2 O=C1NNC(C)=C1 AK-25972 [0,1,0,0,1,0|2,0,0]=4 287 B7R1.2 O=C1NOC(C)=C1 AK158281 [0,1,0,0,1,0|2,0,0]=4 288 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,1,0,0,1,0|1,0,1]=4 289 B7R1.2 O=C1OC(C)CC1 AK117314 [0,1,0,0,1,0|1,0,0]=3 290 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,1,0,0,1,0|2,0,0]=4 291 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,1,0,0,1,0|2,0,0]=4 292 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,1,0,0,1,0|2,0,0]=4 293 B7R1.2 O=C1SCC(N1)=O AK-46286 [0,1,0,0,1,0|2,0,0]=4 294 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [0,1,0,0,1,0|1,0,0]=3 295 B7R1.4 CC1CSCC1=O AK104742 [0,1,0,0,1,0|1,0,1]=4 296 B7R1.4 NC1CONC1=O AK-87856 [0,1,0,0,1,0|2,0,0]=4 297 B7R1.4 NN1CCCC1=O AK-78653 [0,1,0,0,1,0|1,0,0]=3 298 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [0,1,0,0,1,0|1,0,0]=3 299 B7R1.4 N[C@H]1CCOC1=O AK-41531 [0,1,0,0,1,0|1,0,0]=3 300 B7R1.4 O=C1C(CCO1)Br AK-35370 [0,1,0,0,1,0|1,0,0]=3 301 B7R1.4 O=C1C(N)CCS1 AK117085 [0,1,0,0,1,0|1,0,0]=3 302 B7R1.4 O=C1C(O)=CCC1 AK-43709 [0,1,0,0,1,0|0,0,0]=2 303 B7R1.4 O=C1N(C)NC=C1 AK113037 [0,1,0,0,1,0|2,0,0]=4 304 B7R1.4 O=C1N(C)SC=C1 AK682465 [0,1,0,0,1,0|2,0,0]=4 305 B7R1.4 O=C1NCCN1C AK-78526 [0,1,0,0,1,0|2,0,0]=4 306 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [0,1,0,0,1,0|1,0,0]=3 307 B7R1.4 O=C1NCC[C@H]1N AK-43088 [0,1,0,0,1,0|1,0,0]=3 308 B7R1.4 O=C1NCC[C@H]1O AK-39107 [0,1,0,0,1,0|1,0,0]=3 309 B7R1.4 O=C1NOC[C@H]1N AK-26256 [0,1,0,0,1,0|2,0,0]=4 310 B7R1.4 O=C1OCCC1N AK543042 [0,1,0,0,1,0|1,0,0]=3 311 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [0,1,0,0,1,0|1,0,0]=3 312 B7R1.4 OC1CCNC1=O AK-39164 [0,1,0,0,1,0|1,0,0]=3 313 B7R1.4 S=C1N(C)CCC1 AK308101 [0,1,0,0,1,0|1,1,0]=4 314 B7R1.14 O=S1(C=CCO1)=O AK-41034 [0,1,0,0,1,0|2,0,0]=4 315 B7R1.14 O=S1(OCCC1)=O AK-54023 [0,1,0,0,1,0|2,0,0]=4 316 B9R1.5 CN1CCNCCC1=O AK-63341 [0,1,0,0,0,1|1,0,1]=4 317 B9R1.5 CN1CCNCCC1=O AK-77181 [0,1,0,0,0,1|1,0,1]=4 318 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [0,1,0,0,0,1|0,0,2]=4 319 B9R1.5 O=C1N(C)CCCNC1 AK-81379 [0,1,0,0,0,1|1,0,1]=4 320 B9R1.5 O=C1NCCCCC1N AK-77858 [0,1,0,0,0,1|0,0,2]=4 321 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [0,1,0,0,0,1|0,0,2]=4 322 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [0,1,0,0,0,1|0,0,2]=4 323 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [0,1,0,0,0,1|0,0,2]=4 324 B9R1.48 C1(CCCCC(C1)=O)=O AK-49302 [0,1,0,0,0,1|0,0,1]=3 325 B9R1.48 O=C1CC(CCCN1)=O AK163792 [0,1,0,0,0,1|0,0,1]=3 326 B9R1.48 O=C1NCCCC(N)C1 AK132100 [0,1,0,0,0,1|0,0,2]=4 327 B9R1.49 O=C1NCC(N)CCC1 AK129608 [0,1,0,0,0,1|0,0,2]=4 328 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [0,1,0,0,0,1|1,0,1]=4 329 B9R1.1 C1(CCC(=O)CC1)CC AK-47285 [0,2,0,0,0,0|0,0,2]=4 330 B9R1.1 N#CC1CCC(CC1)=O AK-46872 [0,2,0,0,0,0|0,0,2]=4 331 B9R1.1 O=C1CCC(CO)CC1 AK114473 [0,2,0,0,0,0|0,0,2]=4 332 B9R1.1 O=C1CCC(NC)CC1 AK-43402 [0,2,0,0,0,0|0,0,2]=4 333 B9R1.1 O=C1CCC(OC)CC1 AK-58310 [0,2,0,0,0,0|0,0,2]=4 334 B9R1.1 O=C1NCC(CO)CC1 AK-88773 [0,2,0,0,0,0|1,0,1]=4 335 B9R1.1 O=CC1CCC(CC1)=O AK-46502 [0,2,0,0,0,0|0,0,2]=4 336 B9R1.2 O=C1NCCC(CO)C1 AK170344 [0,2,0,0,0,0|1,0,1]=4 337 B9R1.6 O=C(C1=CCCCO1)O AK-78816 [0,2,0,0,0,0|1,0,1]=4 338 B9R1.6 OB(C1=CCCCC1)O AK-36781 [0,2,0,0,0,0|0,0,2]=4 339 B9R1.6 OC(=O)C1=CCCCC1 AK-48425 [0,2,0,0,0,0|0,0,1]=3 340 B9R1.10 C1(CCC(CC1)=O)(C)C AK-32039 [0,2,0,0,0,0|0,0,2]=4 341 B9R1.10 FC1(CCC(CC1)=O)F AK-39536 [0,2,0,0,0,0|0,0,2]=4 342 B9R1.10 O=C1C=CC(C)(C)CC1 AK-49233 [0,2,0,0,0,0|0,0,0]=2 343 B9R1.10 O=C1NCC(C)(O)CC1 AK151491 [0,2,0,0,0,0|1,0,1]=4 344 B9R1.69 C1C(N)C(=O)NC(=O)C1 AK-46561 [0,2,0,0,0,0|1,0,0]=3 345 B9R1.69 CC1CCC(=O)NC1=O AK-80663 [0,2,0,0,0,0|1,0,0]=3 346 B9R1.69 CN1CCC(N)CC1=O AK100918 [0,2,0,0,0,0|1,0,1]=4 347 B9R1.69 O=C1CC(C(CN1)C)=O AK-24495 [0,2,0,0,0,0|1,0,1]=4 348 B9R1.3 O=C1CCCC(N1C)=O AK163887 [0,2,0,0,0,0|1,0,0]=3 349 B9R1.3 O=C1N(C)CCC[C@@H]1N AK101587 [0,2,0,0,0,0|1,0,1]=4 350 B9R1.66 O=C1CC(C)(C)CCC1 AK-77355 [0,2,0,0,0,0|0,0,2]=4 351 B7R1.12 O=C(C1C(F)C1)O AK-73995 [0,0,1,1,0,0|2,0,0]=4 352 B7R1.12 O=C([C@H]1[C@@H](F)C1)O AK161119 [0,0,1,1,0,0|2,0,0]=4 353 B7R1.12 O=C([C@H]1[C@H](F)C1)O AK161248 [0,0,1,1,0,0|2,0,0]=4 354 B7R1.18 C(=O)(C1OCC1)O AK-38212 [0,0,1,1,0,0|2,0,0]=4 355 B7R1.18 N1CC[C@@H]1C(=O)O AK-23961 [0,0,1,1,0,0|2,0,0]=4 356 B7R1.18 O=C(C1CCC1)N AK117552 [0,0,1,1,0,0|1,0,1]=4 357 B7R1.18 O=C([C@@H]1NCC1)O AK118698 [0,0,1,1,0,0|2,0,0]=4 358 B7R1.18 OC(=O)C1CCN1 AK-27256 [0,0,1,1,0,0|2,0,0]=4 359 B9R2.7 O=C1C2CC=CC2C1 AK-28134 [0,0,0,1,0,1|0,0,2]=4 360 B9R2.25 O=C1OC(C2CC12)=O AK-38223 [0,1,0,1,0,0|1,0,0]=3 361 B9R2.39 OC1C2CC(C=C2)C1 AK-41325 [0,1,0,1,0,0|1,0,1]=4 362 B5R1.1 N1CC=CC1 AK-35945 [1,0,0,0,1,0|1,0,0]=3 363 B5R1.1 N1N=CC=C1 AK-80047 [1,0,0,0,1,0|2,0,0]=4 364 B5R1.2 O1CC(C1)=O AK-32211 [0,0,0,0,2,0|1,0,0]=3 365 B5R1.2 O=C1CNC1 AK-59488 [0,0,0,0,2,0|1,0,0]=3 366 B5R1.2 O=C1CSC1 AK-41121 [0,0,0,0,2,0|1,0,0]=3 367 B5R1.2 O=C1NCC1 AK-36897 [0,0,0,0,2,0|1,0,0]=3 368 B9R1.50 O=C1CCCCCCC1 AK-96432 [0,0,0,0,0,2|0,0,2]=4 369 B9R1.50 O=C1NCCCCCC1 AK-84407 [0,0,0,0,0,2|0,0,2]=4 370 B9R1.50 OC1CC\C=C/CCC1 AK-79871 [0,0,0,0,0,2|0,0,2]=4