0 B8R1.4 CC1COCC(C)N1 AK138217 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.4 C[C@@H]1CN(C)CCN1 AK158560 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AK143124 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.4 C[C@@H]1COC[C@@H](C)N1 AK147246 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.4 C[C@H]1CN(C)CCN1 AK106695 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.4 C[C@H]1O[C@H](C)CNC1 AK-67874 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.4 N1CCC(CC1=O)=O AK-23571 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.4 NC1CCCC(C1)O AK-36106 [0,0,0,0,0,0|1,0,2]=3 9 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.4 NC1CN(C)CCC1 AK-76844 [0,0,0,0,0,0|2,0,1]=3 11 B8R1.4 NC=1CCCC(C1)=O AK-49851 [0,0,0,0,0,0|1,0,2]=3 12 B8R1.4 N[C@@H]1CN(C)CCC1 AK159101 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.4 N[C@H]1CN(C)CCC1 AK153472 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.4 N[C@H]1C[C@@H](N)CCC1 AK124383 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.4 O=C1CC(CCC1)=O AK-44688 [0,0,0,0,0,0|1,0,1]=2 17 B8R1.4 O=C1CC(COC1)=O AK-32470 [0,0,0,0,0,0|2,0,1]=3 18 B8R1.4 O=C1CSCC(=O)C1 AK-32471 [0,0,0,0,0,0|2,0,1]=3 19 B8R1.4 O=C1CSCC(O1)=O AK307186 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.4 O=C1NC(=O)CNC1 AK-26011 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.4 O=C1NCCN(C)C1 AK-77137 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.4 O=C1[CH-]C(COC1)=O AK-42250 [0,0,0,0,0,0|2,0,2]=4 27 B8R1.4 O[C@@H]1CN(C)CCC1 AK159359 [0,0,0,0,0,0|1,0,2]=3 28 B7R1.3 BrC1CCCCC1 AK-77686 [1,0,0,0,0,0|1,0,1]=3 29 B7R1.3 BrC1CCNCC1 AK-47522 [1,0,0,0,0,0|2,0,1]=4 30 B7R1.3 BrC1CCOCC1 AK-29943 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.3 C1C(=O)CCNC1 AK-46400 [1,0,0,0,0,0|1,0,0]=2 32 B7R1.3 C1C(CCOC1)N AK-25779 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.3 C1CC(CCO1)O AK-25581 [1,0,0,0,0,0|1,0,2]=4 34 B7R1.3 CC1CNCCO1 AK100672 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.3 CC1NCCOC1 AK-35119 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.3 C[C@@H]1CNCCC1 AK141528 [1,0,0,0,0,0|1,0,0]=2 37 B7R1.3 C[C@@H]1CNCCO1 AK-59893 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.3 C[C@@H]1NCCOC1 AK-29208 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.3 C[C@@H]1NCCOC1 AK-50492 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.3 C[C@H]1CNCCC1 AK-93998 [1,0,0,0,0,0|1,0,0]=2 41 B7R1.3 C[C@H]1CNCCO1 AK-42092 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.3 C[C@H]1NCCNC1 AK-32235 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.3 C[C@H]1NCCOC1 AK-39747 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.3 C[C@H]1NCCOC1 AK-50489 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.3 ClC1CCNCC1 AK-26089 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.3 IC1CCOCC1 AK-29944 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.3 N1[C@H](CNCC1)C AK-46798 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.3 NC1=NCCCN1 AK128358 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.3 NC1CCSCC1 AK-77885 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.3 NC1CNCCC1 AK-33202 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.3 NN1CCCCC1 AK109255 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.3 N[C@@H]1COCCC1 AK-77753 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.3 N[C@H]1CCCNC1 AK-34730 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.3 N[C@H]1CNCCC1 AK-33065 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.3 N[C@H]1CNCCC1 AK-34731 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.3 N[C@H]1COCCC1 AK-77571 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.3 O1CCCC(C1)O AK-32117 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.3 O=C1CCCCO1 AK101117 [1,0,0,0,0,0|1,0,0]=2 60 B7R1.3 O=C1CCCOC1 AK-32516 [1,0,0,0,0,0|1,0,0]=2 61 B7R1.3 O=C1CCOCC1 AK-25731 [1,0,0,0,0,0|1,0,0]=2 62 B7R1.3 O=C1CCSCC1 AK-25499 [1,0,0,0,0,0|1,0,0]=2 63 B7R1.3 O=C1CNCCC1 AK-38925 [1,0,0,0,0,0|1,0,0]=2 64 B7R1.3 O=C1CNCCC1 AK-64363 [1,0,0,0,0,0|1,0,0]=2 65 B7R1.3 O=C1COCC=C1 AK120133 [1,0,0,0,0,0|1,0,2]=4 66 B7R1.3 O=C1COCCN1 AK-37649 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.3 O=C1CSCCC1 AK112945 [1,0,0,0,0,0|1,0,0]=2 68 B7R1.3 O=C1NCCC=C1 AK110027 [1,0,0,0,0,0|1,0,2]=4 69 B7R1.3 O=C1NCCCN1 AK-40132 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.3 O=C1NCCNC1 AK-26132 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.3 O=C1NCCSC1 AK-94004 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.3 O=C1OCCOC1 AK117129 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.3 O=S1OCCCO1 AK307879 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.3 OC1CCNCC1 AK-46522 [1,0,0,0,0,0|1,0,2]=4 75 B7R1.3 OC1CCNCC1 AK-80456 [1,0,0,0,0,0|1,0,2]=4 76 B7R1.3 OC1COCOC1 AK-85976 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.3 O[C@H]1CCCNC1 AK-29273 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.2 C(C1CN(CCC1)C)O AK-29511 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.2 NCC1CN(C)CCO1 AK-45788 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.2 O=C1NC(CO)COC1 AK130955 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.2 O=C1NCCC(CO)C1 AK170344 [0,1,0,0,0,0|1,0,0]=2 83 B9R1.2 O=C1NCCN(CC)C1 AK480961 [0,1,0,0,0,0|2,0,0]=3 84 B9R1.3 O=C1CCCC(N1C)=O AK163887 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.34 CC1CC(C)CC(O)C1 AK103636 [0,1,0,0,0,0|0,0,2]=3 86 B9R1.66 O=C1CC(C)(C)CCC1 AK-77355 [0,1,0,0,0,0|0,0,0]=1 87 B9R1.66 O=C1CC(C)(C)NCC1 AK158739 [0,1,0,0,0,0|1,0,0]=2 88 B9R1.66 O=C1CC(C)(C)OCC1 AK-25320 [0,1,0,0,0,0|1,0,0]=2 89 B9R1.66 OC1CC(C)(C)NCC1 AK158084 [0,1,0,0,0,0|1,0,2]=4 90 B9R1.69 C1C(N)C(=O)NC(=O)C1 AK-46561 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.69 CC1CCC(=O)NC1=O AK-80663 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.69 CN1CCC(N)CC1=O AK100918 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.69 O=C1C(C)CN(C)CC1 AK-31130 [0,1,0,0,0,0|2,0,1]=4 94 B9R1.69 O=C1CC(C(CN1)C)=O AK-24495 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.2 CCC(N)CC(O)=O AK-45971 [0,0,1,0,0,0|2,0,0]=3 96 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [0,0,1,0,0,0|2,0,0]=3 97 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [0,0,1,0,0,0|2,0,0]=3 98 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [0,0,1,0,0,0|2,0,0]=3 99 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [0,0,1,0,0,0|2,0,0]=3 100 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [0,0,1,0,0,0|2,0,0]=3 101 B7R0.2 N[C@@H](CC(C)C)CO AK-47555 [0,0,1,0,0,0|2,0,1]=4 102 B7R0.2 N[C@@H](CO)CC(O)=O AK-23884 [0,0,1,0,0,0|3,0,0]=4 103 B7R0.2 N[C@H](CC(C)C)CO AK-43973 [0,0,1,0,0,0|2,0,1]=4 104 B7R0.2 O=C(NN)CN(C)C AK-86297 [0,0,1,0,0,0|3,0,0]=4 105 B7R0.2 O=C(O)C[C@H](N)CO AK-72526 [0,0,1,0,0,0|3,0,0]=4 106 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,0,1,0,0,0|2,0,0]=3 107 B7R0.4 C#CCCCC(O)=O AK112298 [0,0,1,0,0,0|1,0,2]=4 108 B7R0.4 C(CCC#N)C(O)=O AK-40359 [0,0,1,0,0,0|2,0,1]=4 109 B7R0.4 CC(OCCCCl)=O AK167628 [0,0,1,0,0,0|2,0,0]=3 110 B7R0.4 CCCCCB(O)O AK-46118 [0,0,1,0,0,0|2,0,1]=4 111 B7R0.4 CN(C)CCCC#N AK-59094 [0,0,1,0,0,0|2,0,1]=4 112 B7R0.4 COCCCC(O)=O AK-76729 [0,0,1,0,0,0|2,0,0]=3 113 B7R0.4 NC(OCCCC)=O AK116656 [0,0,1,0,0,0|2,0,0]=3 114 B7R0.4 O=C(N)COCCCl AK113880 [0,0,1,0,0,0|3,0,0]=4 115 B7R0.4 O=C(O)CCCCBr AK113954 [0,0,1,0,0,0|2,0,0]=3 116 B7R0.4 O=C(O)CCCCCl AK139351 [0,0,1,0,0,0|2,0,0]=3 117 B7R0.4 O=C(O)CCCCO AK198817 [0,0,1,0,0,0|2,0,0]=3 118 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,0,1,0,0,0|2,0,0]=3 119 B7R0.7 CC#CC(OCC)=O AK-44989 [0,0,1,0,0,0|1,0,2]=4 120 B7R0.7 CCOC(=O)CCBr AK-76993 [0,0,1,0,0,0|2,0,0]=3 121 B7R0.7 CCOC(=O)CCO AK-41251 [0,0,1,0,0,0|2,0,0]=3 122 B7R0.7 O=C(COC)COC AK116819 [0,0,1,0,0,0|2,0,0]=3 123 B7R0.7 O=C(NCC)NCC AK116700 [0,0,1,0,0,0|2,0,0]=3 124 B7R0.7 O=C(OCC)CCN AK-49791 [0,0,1,0,0,0|2,0,0]=3 125 B7R0.7 O=C(OCC)CNC AK-44190 [0,0,1,0,0,0|2,0,0]=3 126 B7R0.7 O=C(OCC)CNN AK-50556 [0,0,1,0,0,0|3,0,0]=4 127 B7R0.7 O=C(OCC)OCCl AK128867 [0,0,1,0,0,0|3,0,0]=4 128 B9R2.25 O=C1OC(C2CC12)=O AK-38223 [0,0,0,1,0,0|2,0,1]=4 129 B9R2.39 C12C=CC(C(N1)=O)C2 AK-29304 [0,0,0,1,0,0|1,0,2]=4 130 B9R2.39 CN1C2CC(NC2)C1 AK162868 [0,0,0,1,0,0|3,0,0]=4 131 B9R2.39 CN1[C@H]2C[C@H](NC2)C1 AK-43515 [0,0,0,1,0,0|3,0,0]=4 132 B9R2.39 N[C@@H]1[C@@H]2C[C@@H](CC2)C1 AK544021 [0,0,0,1,0,0|1,0,1]=3 133 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 AK-42226 [0,0,0,1,0,0|2,0,0]=3 134 B9R2.39 [C@@H]12C[C@@H](NC1=O)C=C2 AK-26899 [0,0,0,1,0,0|1,0,2]=4 135 B7R1.2 CN1CCC(Br)C1 AK-43626 [0,0,0,0,1,0|2,0,1]=4 136 B7R1.2 CN1C[C@H](O)CC1 AK-44894 [0,0,0,0,1,0|1,0,2]=4 137 B7R1.2 FC1COC(=O)O1 AK111108 [0,0,0,0,1,0|3,0,0]=4 138 B7R1.2 N[C@@H]1CC[C@H](O)C1 AK105087 [0,0,0,0,1,0|1,0,2]=4 139 B7R1.2 N[C@@H]1CN(C)CC1 AK149723 [0,0,0,0,1,0|2,0,1]=4 140 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [0,0,0,0,1,0|2,0,0]=3 141 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [0,0,0,0,1,0|2,0,0]=3 142 B7R1.2 N[C@H]1C[C@H](N)CC1 AK146331 [0,0,0,0,1,0|2,0,1]=4 143 B7R1.2 N[C@H]1C[C@H](O)CC1 AK-65339 [0,0,0,0,1,0|1,0,2]=4 144 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,0,0,0,1,0|2,0,1]=4 145 B7R1.2 O=C1CCC(O1)=O AK139125 [0,0,0,0,1,0|2,0,1]=4 146 B7R1.2 O=C1COC(C)=C1 AK142223 [0,0,0,0,1,0|1,0,2]=4 147 B7R1.2 O=C1NC(CC1)=O AK550047 [0,0,0,0,1,0|2,0,1]=4 148 B7R1.2 O=C1NCC(O)C1 AK-64271 [0,0,0,0,1,0|2,0,0]=3 149 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [0,0,0,0,1,0|2,0,0]=3 150 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [0,0,0,0,1,0|2,0,0]=3 151 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,0,0,0,1,0|1,0,2]=4 152 B7R1.2 O=C1OC(C)CC1 AK117314 [0,0,0,0,1,0|1,0,0]=2 153 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,0,0,0,1,0|2,0,0]=3 154 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,0,0,0,1,0|2,0,0]=3 155 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,0,0,0,1,0|2,0,0]=3 156 B7R1.2 OC1CC(N)CC1 AK-64395 [0,0,0,0,1,0|1,0,2]=4 157 B7R1.2 OC1CN(C)CC1 AK-29830 [0,0,0,0,1,0|1,0,2]=4 158 B7R1.2 O[C@@H]1CN(C)CC1 AK-44893 [0,0,0,0,1,0|1,0,2]=4 159 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [0,0,0,0,1,0|2,0,0]=3 160 B7R1.2 O[C@@H]1C[C@@H](N)CC1 AK122534 [0,0,0,0,1,0|1,0,2]=4 161 B7R1.4 CC1CSCC1=O AK104742 [0,0,0,0,1,0|1,0,0]=2 162 B7R1.4 NC1CONC1=O AK-87856 [0,0,0,0,1,0|3,0,0]=4 163 B7R1.4 NN1CCCC1=O AK-78653 [0,0,0,0,1,0|2,0,0]=3 164 B7R1.4 N[C@@H]1CCC[C@H]1O AK-27349 [0,0,0,0,1,0|1,0,2]=4 165 B7R1.4 N[C@@H]1CCC[C@H]1O AK-36104 [0,0,0,0,1,0|1,0,2]=4 166 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [0,0,0,0,1,0|2,0,0]=3 167 B7R1.4 N[C@H]1CCC[C@@H]1O AK-24345 [0,0,0,0,1,0|1,0,2]=4 168 B7R1.4 N[C@H]1CCC[C@H]1O AK-33189 [0,0,0,0,1,0|1,0,2]=4 169 B7R1.4 N[C@H]1CCOC1=O AK-41531 [0,0,0,0,1,0|2,0,0]=3 170 B7R1.4 N[C@H]1[C@H](N)CCC1 AK549107 [0,0,0,0,1,0|2,0,1]=4 171 B7R1.4 O=C1C(CCO1)Br AK-35370 [0,0,0,0,1,0|2,0,0]=3 172 B7R1.4 O=C1C(N)CCS1 AK117085 [0,0,0,0,1,0|2,0,0]=3 173 B7R1.4 O=C1C(O)=CCC1 AK-43709 [0,0,0,0,1,0|1,0,2]=4 174 B7R1.4 O=C1CC=NN1C AK128438 [0,0,0,0,1,0|2,0,1]=4 175 B7R1.4 O=C1NCCN1C AK-78526 [0,0,0,0,1,0|2,0,0]=3 176 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [0,0,0,0,1,0|2,0,0]=3 177 B7R1.4 O=C1NCC[C@H]1N AK-43088 [0,0,0,0,1,0|2,0,0]=3 178 B7R1.4 O=C1NCC[C@H]1O AK-39107 [0,0,0,0,1,0|2,0,0]=3 179 B7R1.4 O=C1NOC[C@H]1N AK-26256 [0,0,0,0,1,0|3,0,0]=4 180 B7R1.4 O=C1OCCC1N AK543042 [0,0,0,0,1,0|2,0,0]=3 181 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [0,0,0,0,1,0|2,0,0]=3 182 B7R1.4 OC1C(N)CCC1 AK-50447 [0,0,0,0,1,0|1,0,2]=4 183 B7R1.4 OC1CCNC1=O AK-39164 [0,0,0,0,1,0|2,0,0]=3 184 B7R1.4 O[C@@H]1[C@H](N)CCC1 AK-34210 [0,0,0,0,1,0|1,0,2]=4 185 B7R1.4 O[C@H]1[C@H](N)CCC1 AK327767 [0,0,0,0,1,0|1,0,2]=4 186 B7R1.4 S=C1N(C)CCC1 AK308101 [0,0,0,0,1,0|1,1,0]=3 187 B9R1.48 C1(CCCCC(C1)=O)=O AK-49302 [0,0,0,0,0,1|1,0,1]=3 188 B9R1.48 O=C1CC(CCCN1)=O AK163792 [0,0,0,0,0,1|1,0,1]=3 189 B9R1.48 O=C1NCCCC(N)C1 AK132100 [0,0,0,0,0,1|1,0,0]=2 190 B9R1.49 CN1CCCC(CC1)O AK-39765 [0,0,0,0,0,1|1,0,2]=4 191 B9R1.49 O=C1NCC(N)CCC1 AK129608 [0,0,0,0,0,1|1,0,0]=2 192 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [0,0,0,0,0,1|2,0,0]=3 193 B6R0.1 CCCC(NN)=O AK-95909 [1,0,1,0,0,0|2,0,0]=4 194 B6R0.1 CCC[C@H](N)CO AK-81386 [1,0,1,0,0,0|1,0,1]=4 195 B6R0.1 O=C(NCC)CN AK-65785 [1,0,1,0,0,0|2,0,0]=4 196 B6R0.1 O=C(OC)CCBr AK-91613 [1,0,1,0,0,0|2,0,0]=4 197 B6R0.1 O=C(OC)CCN AK-46776 [1,0,1,0,0,0|2,0,0]=4 198 B6R0.1 O=C(OC)CCO AK-83355 [1,0,1,0,0,0|2,0,0]=4 199 B6R0.1 O=C(OC)CNC AK-58375 [1,0,1,0,0,0|2,0,0]=4 200 B6R0.1 O=C(OC)OCC AK397345 [1,0,1,0,0,0|2,0,0]=4 201 B6R0.1 O=C(OCC)CO AK-98662 [1,0,1,0,0,0|2,0,0]=4 202 B6R0.2 C(C(=O)O)N(C)C AK-41194 [1,0,1,0,0,0|2,0,0]=4 203 B6R0.2 CC(NC(C)C)=O AK-86542 [1,0,1,0,0,0|1,0,0]=3 204 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [1,0,1,0,0,0|2,0,0]=4 205 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [1,0,1,0,0,0|2,0,0]=4 206 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [1,0,1,0,0,0|2,0,0]=4 207 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [1,0,1,0,0,0|2,0,0]=4 208 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [1,0,1,0,0,0|2,0,0]=4 209 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [1,0,1,0,0,0|2,0,0]=4 210 B6R0.2 NC(C)CC(C)C AK205814 [1,0,1,0,0,0|1,0,1]=4 211 B6R0.2 O=C([O-])C[S+](C)C AK543883 [1,0,1,0,0,0|2,0,0]=4 212 B6R0.4 CC(C)NCCCl AK110294 [1,0,1,0,0,0|2,0,0]=4 213 B6R0.4 CC(C)OCCBr AK110255 [1,0,1,0,0,0|2,0,0]=4 214 B6R0.4 CC(CCCCl)=O AK-48368 [1,0,1,0,0,0|1,0,0]=3 215 B6R0.4 CC(OCCBr)=O AK165045 [1,0,1,0,0,0|2,0,0]=4 216 B6R0.4 CCCCC([O-])=O AK163205 [1,0,1,0,0,0|1,0,0]=3 217 B6R0.4 CN(C)CCCBr AK-35747 [1,0,1,0,0,0|2,0,0]=4 218 B6R0.4 CN(C)CCCCl AK-25287 [1,0,1,0,0,0|2,0,0]=4 219 B6R0.4 CN(C)CCCCl AK113440 [1,0,1,0,0,0|2,0,0]=4 220 B6R0.4 NC(OCCC)=O AK116320 [1,0,1,0,0,0|2,0,0]=4 221 B6R0.4 O=C(O)CCCCl AK113749 [1,0,1,0,0,0|2,0,0]=4 222 B6R0.4 O=C(O)CCCN AK-43987 [1,0,1,0,0,0|2,0,0]=4 223 B6R0.4 O=C(O)CCNC AK155866 [1,0,1,0,0,0|2,0,0]=4 224 B6R0.4 O=C(O)CCOC AK-88477 [1,0,1,0,0,0|2,0,0]=4 225 B6R0.6 C=CCCCCBr AK-48086 [1,0,1,0,0,0|1,0,1]=4 226 B6R0.6 CCCNCCO AK-60790 [1,0,1,0,0,0|2,0,0]=4 227 B6R0.6 C\C=C\CCCO AK-46431 [1,0,1,0,0,0|1,0,1]=4 228 B6R0.6 ClCCCCC=O AK110863 [1,0,1,0,0,0|1,0,0]=3 229 B6R0.6 O=CCCCCO AK-40206 [1,0,1,0,0,0|1,0,0]=3 230 B6R0.6 OCCCCNC AK112657 [1,0,1,0,0,0|2,0,0]=4 231 B6R1.1 C1CC=CCN1 AK-91689 [2,0,0,0,0,0|1,0,1]=4 232 B6R1.1 C1CCNNC1 AK-81490 [2,0,0,0,0,0|2,0,0]=4 233 B6R1.1 C1CSCCN1 AK110355 [2,0,0,0,0,0|2,0,0]=4 234 B6R1.1 N1CCOCC1 AK116221 [2,0,0,0,0,0|2,0,0]=4 235 B6R1.1 O1CNCCC1 AK-82623 [2,0,0,0,0,0|2,0,0]=4 236 B6R1.1 O1NCCCC1 AK156568 [2,0,0,0,0,0|2,0,0]=4 237 B6R1.1 [NH2+]1CCCCC1 AK-41004 [2,0,0,0,0,0|1,0,0]=3 238 B6R1.1 [NH2+]1CCCCC1 AK-97257 [2,0,0,0,0,0|1,0,0]=3 239 B8R0.2 CC(C(C(OC)=O)N)C AK-41529 [0,1,1,0,0,0|1,0,0]=3 240 B8R0.2 CC(C)C(N)C(OC)=O AK133088 [0,1,1,0,0,0|1,0,0]=3 241 B8R0.2 CC(C)[C@H](O)C(OC)=O AK146226 [0,1,1,0,0,0|1,0,0]=3 242 B8R0.2 CC(O)C(N)C(OC)=O AK-77084 [0,1,1,0,0,0|2,0,0]=4 243 B8R0.2 CC[C@H](C)[C@@H](N)C(O)=O AK-72869 [0,1,1,0,0,0|1,0,0]=3 244 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O AK-41239 [0,1,1,0,0,0|1,0,0]=3 245 B8R0.2 C[C@@H](O)[C@@H](N)C(OC)=O AK162652 [0,1,1,0,0,0|2,0,0]=4 246 B8R0.2 C[C@H](O)[C@H](N)C(OC)=O AK-90375 [0,1,1,0,0,0|2,0,0]=4 247 B8R0.2 N[C@@H](C(C)C)C(OC)=O AK-47574 [0,1,1,0,0,0|1,0,0]=3 248 B8R0.2 N[C@@H]([C@@H](C)CC)C(O)=O AK-50075 [0,1,1,0,0,0|1,0,0]=3 249 B8R0.2 N[C@@H]([C@H](O)C)C(OC)=O AK-49761 [0,1,1,0,0,0|2,0,0]=4 250 B8R0.2 N[C@@H]([C@H](OC)C)C(O)=O AK-41699 [0,1,1,0,0,0|2,0,0]=4 251 B8R0.5 C(=O)(NC(C)C)CCC AK-95275 [0,1,1,0,0,0|1,0,0]=3 252 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [0,1,1,0,0,0|1,0,0]=3 253 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [0,1,1,0,0,0|2,0,0]=4 254 B8R0.5 CCOC(=O)OC(C)Cl AK109787 [0,1,1,0,0,0|2,0,0]=4 255 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [0,1,1,0,0,0|1,0,0]=3 256 B8R0.19 CCC(=O)CC(=O)OC AK-53853 [0,1,1,0,0,0|1,0,1]=4 257 B8R0.19 CCC(CC(CC)=O)=O AK-88511 [0,1,1,0,0,0|1,0,1]=4 258 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [0,1,1,0,0,0|1,0,0]=3 259 B8R0.23 CC(C)C(N)CC(O)=O AK124272 [0,1,1,0,0,0|2,0,0]=4 260 B8R0.23 CC(C)OC([C@H](C)N)=O AK-40023 [0,1,1,0,0,0|1,0,0]=3 261 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK-86154 [0,1,1,0,0,0|2,0,0]=4 262 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK162605 [0,1,1,0,0,0|2,0,0]=4 263 B8R0.23 CC(C)[C@H](N)CC(O)=O AK-45075 [0,1,1,0,0,0|2,0,0]=4 264 B8R0.23 CC(C)[C@H](N)CC(O)=O AK115403 [0,1,1,0,0,0|2,0,0]=4 265 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O AK-23909 [0,1,1,0,0,0|2,0,0]=4 266 B8R0.23 C[C@H](N)C(OC(C)C)=O AK136097 [0,1,1,0,0,0|1,0,0]=3 267 B8R0.24 CC(C)(C)OC(=O)CN AK-84881 [0,1,1,0,0,0|2,0,0]=4 268 B8R0.24 CC(C)(C)OC(=O)CO AK-77037 [0,1,1,0,0,0|2,0,0]=4 269 B8R0.24 O=C(OC(C)(C)C)CI AK130198 [0,1,1,0,0,0|2,0,0]=4 270 B8R0.24 O=C(OC(C)(C)C)CN AK-46074 [0,1,1,0,0,0|2,0,0]=4 271 B8R0.24 O=C(OC(C)(C)C)NC AK-77399 [0,1,1,0,0,0|2,0,0]=4 272 B8R0.6 C(Cl)C(=O)NCCCC AK-59895 [0,1,1,0,0,0|1,0,0]=3 273 B8R0.6 C=CC(CCCCC)=O AK164478 [0,1,1,0,0,0|0,0,1]=3 274 B8R0.6 O=C(OC)CCCCBr AK-88540 [0,1,1,0,0,0|1,0,0]=3 275 B8R0.6 O=C(OC)CCCCN AK112995 [0,1,1,0,0,0|1,0,0]=3 276 B8R0.6 O=C(OC)CCCOC AK151485 [0,1,1,0,0,0|1,0,0]=3 277 B8R0.6 O=C(OC)COCCCl AK-44958 [0,1,1,0,0,0|2,0,0]=4 278 B8R0.7 C#CCCCCC(O)=O AK-40047 [0,1,1,0,0,0|1,0,1]=4 279 B8R0.7 CC(O)CCCCCC AK113715 [0,1,1,0,0,0|0,0,2]=4 280 B8R0.7 C[C@@H](O)CCCCCC AK115983 [0,1,1,0,0,0|0,0,2]=4 281 B8R0.7 O=C(O)CCCCCBr AK-35122 [0,1,1,0,0,0|1,0,0]=3 282 B8R0.7 O=C(O)CCCCCN AK144762 [0,1,1,0,0,0|1,0,0]=3 283 B8R0.7 O=C(O)CCCCCO AK-41893 [0,1,1,0,0,0|1,0,0]=3 284 B8R0.7 O=C(O)COCCOC AK-33517 [0,1,1,0,0,0|2,0,0]=4 285 B8R0.7 O=C([O-])CCCCCO AK142914 [0,1,1,0,0,0|1,0,0]=3 286 B8R0.7 O=C([O-])CCNCCN AK545212 [0,1,1,0,0,0|2,0,0]=4 287 B8R0.7 OC(=O)CCCCCCl AK-48239 [0,1,1,0,0,0|1,0,0]=3 288 B8R0.8 CCCC[C@@H](N)C(O)=O AK-76426 [0,1,1,0,0,0|1,0,0]=3 289 B8R0.8 CCCC[C@H](N)C(N)=O AK170163 [0,1,1,0,0,0|1,0,0]=3 290 B8R0.8 NC(CCSC)C(O)=O AK-81252 [0,1,1,0,0,0|2,0,0]=4 291 B8R0.8 N[C@@H](CCCC)C(O)=O AK-49687 [0,1,1,0,0,0|1,0,0]=3 292 B8R0.8 N[C@@H](CCCN)C(O)=O AK-46743 [0,1,1,0,0,0|2,0,0]=4 293 B8R0.8 O=C(O)[C@@H](N)CCCN AK-44096 [0,1,1,0,0,0|2,0,0]=4 294 B8R0.8 O=C(O)[C@@H](N)CCSC AK-73057 [0,1,1,0,0,0|2,0,0]=4 295 B8R0.8 O=C(O)[C@@H](N)CC[Se]C AK-81303 [0,1,1,0,0,0|2,0,0]=4 296 B8R0.8 O=C([O-])C(O)CCSC AK109150 [0,1,1,0,0,0|2,0,0]=4 297 B8R0.21 CC(C)(S)CCOC=O AK297149 [0,1,1,0,0,0|1,0,0]=3 298 B8R0.21 CCCCCS([O-])(=O)=O AK-86036 [0,1,1,0,0,0|2,0,0]=4 299 B8R0.21 CS(=O)(OCCCC)=O AK114028 [0,1,1,0,0,0|2,0,0]=4 300 B8R0.28 O=C(O)CCCN(C)C AK-50053 [0,1,1,0,0,0|1,0,0]=3 301 B8R0.1 C#CCCC(CCO)=O AK544192 [0,1,1,0,0,0|1,0,1]=4 302 B8R0.1 CCOC(=O)CCCI AK102411 [0,1,1,0,0,0|1,0,0]=3 303 B8R0.1 CCOC(=O)CCCN AK-47111 [0,1,1,0,0,0|1,0,0]=3 304 B8R0.1 O=C(OCC)CCCBr AK-41609 [0,1,1,0,0,0|1,0,0]=3 305 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [0,1,1,0,0,0|1,0,1]=4 306 B8R0.3 CCOC(=O)C(N)CO AK-81620 [0,1,1,0,0,0|2,0,0]=4 307 B8R0.3 CCOC([C@@H](CO)N)=O AK-49218 [0,1,1,0,0,0|2,0,0]=4 308 B8R0.3 CC[C@H](N)C(OCC)=O AK342326 [0,1,1,0,0,0|1,0,0]=3 309 B8R0.3 N[C@@H](CS)C(OCC)=O AK-49182 [0,1,1,0,0,0|2,0,0]=4 310 B8R0.3 O=CC[C@@H]([C@@H](CO)O)O AK-25106 [0,1,1,0,0,0|2,0,0]=4 311 B8R0.3 [C@H](N)(CO)C(=O)OCC AK-49623 [0,1,1,0,0,0|2,0,0]=4 312 B8R0.22 O=CN(CCC)CCC AK325108 [0,1,1,0,0,0|1,0,0]=3 313 B8R1.2 BrCC1CCCCC1 AK-34379 [1,1,0,0,0,0|0,0,1]=3 314 B8R1.2 BrCC1CCOCC1 AK-33044 [1,1,0,0,0,0|1,0,1]=4 315 B8R1.2 C#CC1CCCNC1 AK-40565 [1,1,0,0,0,0|1,0,1]=4 316 B8R1.2 C(C1CCOCC1)O AK-25438 [1,1,0,0,0,0|1,0,1]=4 317 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [1,1,0,0,0,0|1,0,1]=4 318 B8R1.2 CC[C@@H]1NCCOC1 AK-45140 [1,1,0,0,0,0|2,0,0]=4 319 B8R1.2 CNC1CCCNC1 AK-39351 [1,1,0,0,0,0|1,0,0]=3 320 B8R1.2 CNC1CCNCC1 AK-81357 [1,1,0,0,0,0|1,0,1]=4 321 B8R1.2 CNC1CCOCC1 AK-29001 [1,1,0,0,0,0|1,0,1]=4 322 B8R1.2 COC1CCNCC1 AK-86244 [1,1,0,0,0,0|1,0,1]=4 323 B8R1.2 ClCC1NCCCC1 AK-78057 [1,1,0,0,0,0|1,0,1]=4 324 B8R1.2 ICC1CCCCC1 AK126313 [1,1,0,0,0,0|0,0,1]=3 325 B8R1.2 ICC1CCOCC1 AK-51037 [1,1,0,0,0,0|1,0,1]=4 326 B8R1.2 N#CC1CCCCC1 AK117259 [1,1,0,0,0,0|0,0,2]=4 327 B8R1.2 N#CC1CNCCC1 AK-84454 [1,1,0,0,0,0|1,0,1]=4 328 B8R1.2 N1CCC[C@@H](C1)CO AK-29863 [1,1,0,0,0,0|1,0,0]=3 329 B8R1.2 NCC1CCOCC1 AK-33095 [1,1,0,0,0,0|1,0,1]=4 330 B8R1.2 NCC1OCCOC1 AK143280 [1,1,0,0,0,0|2,0,0]=4 331 B8R1.2 NC[C@@H]1OCCOC1 AK171793 [1,1,0,0,0,0|2,0,0]=4 332 B8R1.2 NC[C@H]1OCCOC1 AK171792 [1,1,0,0,0,0|2,0,0]=4 333 B8R1.2 NNC1CCCCC1 AK-51695 [1,1,0,0,0,0|1,0,1]=4 334 B8R1.2 O=CN1CCOCC1 AK-47431 [1,1,0,0,0,0|2,0,0]=4 335 B8R1.2 OCC1CCC=CC1 AK-63968 [1,1,0,0,0,0|0,0,1]=3 336 B8R1.2 OCC1CCCCC1 AK-47687 [1,1,0,0,0,0|0,0,1]=3 337 B8R1.2 OCC1CNCCC1 AK-26981 [1,1,0,0,0,0|1,0,0]=3 338 B8R1.2 OCC1CNCCO1 AK-30231 [1,1,0,0,0,0|2,0,0]=4 339 B8R1.2 OCC1NCCCC1 AK-47618 [1,1,0,0,0,0|1,0,1]=4 340 B8R1.2 OCC1NCCNC1 AK-42128 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.2 OC[C@@H]1CNCCC1 AK-87595 [1,1,0,0,0,0|1,0,0]=3 342 B8R1.2 OC[C@@H]1CNCCO1 AK-37105 [1,1,0,0,0,0|2,0,0]=4 343 B8R1.2 OC[C@@H]1COCCN1 AK-54783 [1,1,0,0,0,0|2,0,0]=4 344 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [1,1,0,0,0,0|1,0,1]=4 345 B8R1.2 OC[C@@H]1NCCNC1 AK-42146 [1,1,0,0,0,0|2,0,0]=4 346 B8R1.2 OC[C@@H]1NCCOC1 AK-51349 [1,1,0,0,0,0|2,0,0]=4 347 B8R1.2 OC[C@@H]1OCCOC1 AK157556 [1,1,0,0,0,0|2,0,0]=4 348 B8R1.2 OC[C@H]1CNCCO1 AK-28829 [1,1,0,0,0,0|2,0,0]=4 349 B8R1.2 OC[C@H]1COCCN1 AK-59902 [1,1,0,0,0,0|2,0,0]=4 350 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [1,1,0,0,0,0|1,0,1]=4 351 B8R1.2 ONC1CCCCC1 AK113259 [1,1,0,0,0,0|0,0,2]=4 352 B8R1.2 ONC1CCCCC1 AK118974 [1,1,0,0,0,0|0,0,2]=4 353 B8R1.3 C1C(CCC(C1)O)N AK-39542 [1,1,0,0,0,0|0,0,2]=4 354 B8R1.3 CN1CCC(=O)CC1 AK-39177 [1,1,0,0,0,0|1,0,0]=3 355 B8R1.3 CN1CCC(CC1)Cl AK-49095 [1,1,0,0,0,0|1,0,1]=4 356 B8R1.3 CN1CCC(N)CC1 AK-22084 [1,1,0,0,0,0|1,0,1]=4 357 B8R1.3 C[C@@H]1CO[C@@H](C)CN1 AK554540 [1,1,0,0,0,0|2,0,0]=4 358 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AK144819 [1,1,0,0,0,0|2,0,0]=4 359 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AK144820 [1,1,0,0,0,0|2,0,0]=4 360 B8R1.3 NC1CCC(Br)CC1 AK-48715 [1,1,0,0,0,0|1,0,1]=4 361 B8R1.3 N[C@H]1CC[C@@H](C)CC1 AK139194 [1,1,0,0,0,0|0,0,1]=3 362 B8R1.3 N[C@H]1CC[C@@H](CC1)O AK-26050 [1,1,0,0,0,0|0,0,2]=4 363 B8R1.3 N[C@H]1CC[C@H](C)CC1 AK114539 [1,1,0,0,0,0|0,0,1]=3 364 B8R1.3 N[C@H]1CC[C@H](N)CC1 AK-44479 [1,1,0,0,0,0|1,0,1]=4 365 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [1,1,0,0,0,0|0,0,1]=3 366 B8R1.3 O=C1CCC(N)CC1 AK-46313 [1,1,0,0,0,0|0,0,0]=2 367 B8R1.3 O=C1NCC(N)CC1 AK132996 [1,1,0,0,0,0|1,0,0]=3 368 B8R1.3 O=C1NCC(O)CC1 AK-54796 [1,1,0,0,0,0|1,0,0]=3 369 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [1,1,0,0,0,0|1,0,0]=3 370 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [1,1,0,0,0,0|1,0,0]=3 371 B8R1.3 OC1CCC(=O)CC1 AK-46440 [1,1,0,0,0,0|0,0,0]=2 372 B8R1.3 OC1CCC(O)CC1 AK114734 [1,1,0,0,0,0|0,0,2]=4 373 B8R1.3 OC1CCN(C)CC1 AK-32773 [1,1,0,0,0,0|1,0,1]=4 374 B8R1.3 OC1CCN(N)CC1 AK116503 [1,1,0,0,0,0|2,0,0]=4 375 B8R1.3 O[C@H]1CC[C@@H](N)CC1 AK-48343 [1,1,0,0,0,0|0,0,2]=4 376 B8R1.3 O[C@H]1CC[C@H](N)CC1 AK-39826 [1,1,0,0,0,0|0,0,2]=4 377 B8R1.3 O[C@H]1CC[C@H](O)CC1 AK115903 [1,1,0,0,0,0|0,0,2]=4 378 B8R1.5 BrC1CCCCC1Br AK110889 [1,1,0,0,0,0|1,0,1]=4 379 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [1,1,0,0,0,0|0,0,2]=4 380 B8R1.5 CC1CNCCC1O AK-34735 [1,1,0,0,0,0|1,0,0]=3 381 B8R1.5 CC1CNCCC1O AK-77366 [1,1,0,0,0,0|1,0,0]=3 382 B8R1.5 CC1N(C)CCNC1 AK-27680 [1,1,0,0,0,0|2,0,0]=4 383 B8R1.5 FC1CCCCC1=O AK-79364 [1,1,0,0,0,0|0,0,0]=2 384 B8R1.5 NC1C(F)COCC1 AK-68595 [1,1,0,0,0,0|2,0,0]=4 385 B8R1.5 NC1CCCCC1=O AK110393 [1,1,0,0,0,0|0,0,0]=2 386 B8R1.5 NC1CCCNC1=O AK-32522 [1,1,0,0,0,0|1,0,0]=3 387 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [1,1,0,0,0,0|0,0,2]=4 388 B8R1.5 N[C@@H]1[C@@H](N)CCCC1 AK-51492 [1,1,0,0,0,0|1,0,1]=4 389 B8R1.5 N[C@@H]1[C@H](C)CCCC1 AK167720 [1,1,0,0,0,0|0,0,1]=3 390 B8R1.5 N[C@H]1CCCC[C@H]1N AK110121 [1,1,0,0,0,0|1,0,1]=4 391 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [1,1,0,0,0,0|0,0,2]=4 392 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [1,1,0,0,0,0|0,0,2]=4 393 B8R1.5 N[C@H]1[C@H](N)CCCC1 AK-49548 [1,1,0,0,0,0|1,0,1]=4 394 B8R1.5 O=C1C(C)CNCC1 AK-35717 [1,1,0,0,0,0|1,0,0]=3 395 B8R1.5 O=C1C(C)CNCC1 AK-44679 [1,1,0,0,0,0|1,0,0]=3 396 B8R1.5 O=C1C(CCCC1)=O AK-46655 [1,1,0,0,0,0|0,0,1]=3 397 B8R1.5 O=C1N(C)CCNC1 AK-38983 [1,1,0,0,0,0|2,0,0]=4 398 B8R1.5 O=C1N(N)CCCC1 AK132922 [1,1,0,0,0,0|1,0,0]=3 399 B8R1.5 O=C1NCCCC1N AK-58866 [1,1,0,0,0,0|1,0,0]=3 400 B8R1.5 O=C1NCCCC1O AK-25552 [1,1,0,0,0,0|1,0,0]=3 401 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [1,1,0,0,0,0|1,0,0]=3 402 B8R1.5 O=C1NCCN[C@@H]1C AK102951 [1,1,0,0,0,0|2,0,0]=4 403 B8R1.5 OC1C(N)CCCC1 AK116055 [1,1,0,0,0,0|0,0,2]=4 404 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [1,1,0,0,0,0|0,0,2]=4 405 B8R1.5 O[C@H]1COCC[C@@H]1N AK172298 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [1,1,0,0,0,0|0,0,2]=4 407 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [1,1,0,0,0,0|0,0,2]=4 408 B8R1.5 O[C@H]1[C@H](O)CCCC1 AK114228 [1,1,0,0,0,0|0,0,2]=4 409 B8R1.72 CC1(C)CCNCC1 AK116331 [1,1,0,0,0,0|1,0,1]=4 410 B8R1.72 CC1(C)CNCCO1 AK113050 [1,1,0,0,0,0|2,0,0]=4 411 B8R1.72 CC1(C)CNCCO1 AK128847 [1,1,0,0,0,0|2,0,0]=4 412 B8R1.72 CC1(C)NCCOC1 AK-88532 [1,1,0,0,0,0|2,0,0]=4 413 B8R1.72 CC1(CCOCC1)O AK-31507 [1,1,0,0,0,0|1,0,1]=4 414 B8R1.72 CC1(CNCCN1)C AK-36524 [1,1,0,0,0,0|2,0,0]=4 415 B8R1.72 C[N+]1(C)CCCCC1 AK163545 [1,1,0,0,0,0|1,0,1]=4 416 B8R1.72 FC1(F)CNCCC1 AK-32194 [1,1,0,0,0,0|2,0,0]=4 417 B8R1.72 NC1(C)CCOCC1 AK-31509 [1,1,0,0,0,0|1,0,1]=4 418 B8R1.72 O=S1(CCCCO1)=O AK-49451 [1,1,0,0,0,0|2,0,0]=4 419 B8R1.72 O=S1(CCNCC1)=O AK-26927 [1,1,0,0,0,0|2,0,0]=4 420 B8R1.72 O=S1(CCNCC1)=O AK-34978 [1,1,0,0,0,0|2,0,0]=4 421 B8R1.72 OC1(C)CCCCC1 AK161821 [1,1,0,0,0,0|0,0,1]=3 422 B8R1.72 OC1(C)CCNCC1 AK-79153 [1,1,0,0,0,0|1,0,1]=4 423 B8R1.1 O=C1NC(CO)CC1 AK114000 [0,1,0,0,1,0|1,0,0]=3 424 B8R1.1 O=C1N[C@@H](CBr)CC1 AK-45071 [0,1,0,0,1,0|1,0,0]=3 425 B8R1.1 O=C1N[C@H](CBr)CC1 AK-45147 [0,1,0,0,1,0|1,0,0]=3 426 B8R1.1 O=C1OC[C@H](CI)N1 AK131031 [0,1,0,0,1,0|2,0,0]=4 427 B8R1.1 O=C1O[C@H](CCl)CN1 AK110469 [0,1,0,0,1,0|2,0,0]=4 428 B8R1.1 OC[C@@H]1CCC(=O)N1 AK-25498 [0,1,0,0,1,0|1,0,0]=3 429 B8R1.1 OC[C@H]1CCC(=O)N1 AK-26242 [0,1,0,0,1,0|1,0,0]=3 430 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [0,1,0,0,1,0|1,0,1]=4 431 B8R1.50 CC1C(CCC1=O)=O AK-50538 [0,1,0,0,1,0|1,0,1]=4 432 B8R1.50 CC=1CCC(C1O)=O AK103328 [0,1,0,0,1,0|0,0,2]=4 433 B8R1.50 O=C1OC[C@@H](O)[C@H]1O AK158528 [0,1,0,0,1,0|2,0,0]=4 434 B8R1.51 CC1(C)CCC(=O)N1 AK-90081 [0,1,0,0,1,0|1,0,0]=3 435 B8R1.51 NC1CCS(C1)(=O)=O AK-81662 [0,1,0,0,1,0|2,0,0]=4 436 B8R1.51 N[C@@H]1CCS(C1)(=O)=O AK210018 [0,1,0,0,1,0|2,0,0]=4 437 B8R1.51 O=C1NCC(C)(C)C1 AK118621 [0,1,0,0,1,0|1,0,0]=3 438 B8R1.51 O=C1OC(C)(C)CC1 AK-44637 [0,1,0,0,1,0|1,0,0]=3 439 B8R1.11 CN1CCC[C@@H]1CO AK-46413 [0,1,0,0,1,0|2,0,0]=4 440 B8R1.11 CN1[C@H](CBr)CCC1 AK159349 [0,1,0,0,1,0|2,0,0]=4 441 B8R1.11 NC[C@H]1N(C)CCC1 AK150867 [0,1,0,0,1,0|2,0,0]=4 442 B8R1.11 O=C1C(C#N)CCC1 AK-44929 [0,1,0,0,1,0|0,0,1]=3 443 B8R1.11 O=C1C(CC)CCC1 AK112291 [0,1,0,0,1,0|0,0,0]=2 444 B8R1.11 O=C1C(CO)CCC1 AK146211 [0,1,0,0,1,0|0,0,0]=2 445 B8R1.11 O=C1N(CC)CCC1 AK106210 [0,1,0,0,1,0|1,0,0]=3 446 B8R1.11 OCC1N(C)CCC1 AK-25839 [0,1,0,0,1,0|2,0,0]=4 447 B8R1.11 OC[C@H]1N(C)CCC1 AK-39889 [0,1,0,0,1,0|2,0,0]=4 448 B10R1.10 O=C1CC(CCC)NCC1 AK129486 [0,2,0,0,0,0|1,0,0]=3 449 B10R1.113 CN1CCCC(C1)C(O)=O AK-96687 [0,2,0,0,0,0|1,0,1]=4 450 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AK-40828 [0,2,0,0,0,0|1,0,1]=4 451 B10R1.113 N[C@H]1CCC[C@H](C1)C(O)=O AK-59924 [0,2,0,0,0,0|1,0,1]=4 452 B10R1.113 O=C(C1CC(NCC1)=O)O AK-51685 [0,2,0,0,0,0|1,0,1]=4 453 B10R1.113 O=C(C1NC(C)CCC1)O AK-50292 [0,2,0,0,0,0|1,0,1]=4 454 B10R1.113 O=C([C@@H]1C[C@H](N)CCC1)O AK171951 [0,2,0,0,0,0|1,0,1]=4 455 B10R1.113 O=C([C@H]1C[C@@H](N)CCC1)O AK171952 [0,2,0,0,0,0|1,0,1]=4 456 B10R1.113 O=C1N[C@H]([C@@](O)=O)CCC1 AK-44820 [0,2,0,0,0,0|1,0,1]=4 457 B10R1.113 OC(=O)C1CCCC(=O)C1 AK-64002 [0,2,0,0,0,0|0,0,1]=3 458 B10R1.329 CC1(C)CC(=O)NC(=O)C1 AK-80204 [0,2,0,0,0,0|1,0,1]=4 459 B10R1.329 O=C1CC(C)(C)CC(C)C1 AK122426 [0,2,0,0,0,0|0,0,0]=2 460 B10R1.329 O=C1CC(CC(C)(C)C1)=O AK-33057 [0,2,0,0,0,0|0,0,1]=3 461 B10R1.329 OC1CC(C)(C)CC(C)C1 AK117244 [0,2,0,0,0,0|0,0,2]=4 462 B8R1.34 CC(OC1CNC1)=O AK-71497 [0,0,1,1,0,0|2,0,0]=4 463 B8R1.34 CC(OC1CNC1)=O AK208566 [0,0,1,1,0,0|2,0,0]=4 464 B8R1.34 O=C(O)CC1CCC1 AK-76669 [0,0,1,1,0,0|1,0,0]=3 465 B8R1.40 O=C(NC1CC1)CCl AK115237 [0,0,1,1,0,0|2,0,0]=4 466 B8R1.7 CC(C1SCCN1)=O AK163728 [0,0,1,1,0,0|2,0,0]=4 467 B8R1.7 C[C@@H](N)C1CCCC1 AK332865 [0,0,1,1,0,0|1,0,1]=4 468 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [0,0,1,1,0,0|2,0,0]=4 469 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [0,0,1,1,0,0|2,0,0]=4 470 B8R1.7 O=C(C1CCCC1)O AK-39169 [0,0,1,1,0,0|1,0,0]=3 471 B8R1.7 O=C(C1COCC1)O AK-44786 [0,0,1,1,0,0|2,0,0]=4 472 B8R1.7 O=C(C1NCCC1)N AK-65799 [0,0,1,1,0,0|2,0,0]=4 473 B8R1.7 O=C(N)[C@H]1NCCC1 AK-46342 [0,0,1,1,0,0|2,0,0]=4 474 B8R1.7 O=C(O)[C@@H]1NCCC1 AK-46775 [0,0,1,1,0,0|2,0,0]=4 475 B8R1.7 O=C(O)[C@H]1NCCC1 AK-44539 [0,0,1,1,0,0|2,0,0]=4 476 B8R1.7 O=C([C@H]1COCC1)O AK-30108 [0,0,1,1,0,0|2,0,0]=4 477 B8R1.7 O=[C@@]([C@@H]1CNCC1)O AK-74153 [0,0,1,1,0,0|2,0,0]=4 478 B8R1.7 OC(=O)C1CCCN1 AK-54077 [0,0,1,1,0,0|2,0,0]=4 479 B8R1.7 OC(=O)C1CCCO1 AK-60899 [0,0,1,1,0,0|2,0,0]=4 480 B8R1.7 OC(=O)[C@@H]1CCNC1 AK-29667 [0,0,1,1,0,0|2,0,0]=4 481 B8R1.7 OC(=O)[C@H]1CCNC1 AK-73148 [0,0,1,1,0,0|2,0,0]=4 482 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,0,1,1,0,0|1,0,0]=3 483 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,0,1,1,0,0|0,0,2]=4 484 B8R1.22 O=C1CNCCCN1 AK-94980 [0,0,1,1,0,0|2,0,0]=4 485 B8R1.22 O=C1NCCNCC1 AK-25582 [0,0,1,1,0,0|2,0,0]=4 486 B8R1.22 O=C1NCCOCC1 AK158455 [0,0,1,1,0,0|2,0,0]=4 487 B8R1.22 O=C1OCCCCC1 AK164169 [0,0,1,1,0,0|1,0,0]=3 488 B8R1.8 NCCC1CCCC1 AK-84118 [0,0,1,1,0,0|1,0,1]=4 489 B8R2.34 C12CC(CO1)NC2 AK-64970 [1,0,0,1,0,0|2,0,0]=4 490 B8R2.34 C12NC(CC1)CC2 AK-34482 [1,0,0,1,0,0|1,0,1]=4 491 B8R2.34 [C@H]12CN[C@H](CO1)C2 AK-34642 [1,0,0,1,0,0|2,0,0]=4 492 B10R2.71 O=C1CC2CC(CC2)C1 AK165360 [0,0,0,1,0,1|0,0,0]=2 493 B10R2.71 O=C1CC2NC(CC2)C1 AK-44611 [0,0,0,1,0,1|1,0,0]=3 494 B10R2.178 O=C1C2CC(CC2)CN1 AK311924 [0,0,0,1,0,1|0,0,0]=2 495 B10R2.62 O=C1C2CCC(CC2)C1 AK144709 [0,1,0,1,0,0|0,0,0]=2 496 B10R2.62 O=C1CN2CCC1CC2 AK-32961 [0,1,0,1,0,0|1,0,0]=3 497 B10R2.62 OC1C2CCC(CC2)C1 AK162852 [0,1,0,1,0,0|0,0,2]=4 498 B10R2.534 O=C1CCCC2(N1)CC2 AK205259 [0,1,0,1,0,0|1,0,0]=3 499 B6R0.3 C(C(N)C(O)=O)C AK-46591 [0,0,1,0,1,0|2,0,0]=4 500 B6R0.3 CC(N(CC)C)=O AK149250 [0,0,1,0,1,0|1,0,0]=3 501 B6R0.3 CC(N)C(OC)=O AK-48822 [0,0,1,0,1,0|2,0,0]=4 502 B6R0.3 CCC(N(C)C)=O AK105976 [0,0,1,0,1,0|1,0,0]=3 503 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [0,0,1,0,1,0|1,0,0]=3 504 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [0,0,1,0,1,0|2,0,0]=4 505 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [0,0,1,0,1,0|2,0,0]=4 506 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [0,0,1,0,1,0|2,0,0]=4 507 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [0,0,1,0,1,0|2,0,0]=4 508 B6R0.3 COC(C)C(O)=O AK-49797 [0,0,1,0,1,0|2,0,0]=4 509 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [0,0,1,0,1,0|2,0,0]=4 510 B6R0.3 C[C@H](N)C(NC)=O AK-90374 [0,0,1,0,1,0|2,0,0]=4 511 B6R0.3 C[C@H](NC)C(O)=O AK134597 [0,0,1,0,1,0|2,0,0]=4 512 B6R0.3 C[C@H](OC)C(O)=O AK167072 [0,0,1,0,1,0|2,0,0]=4 513 B6R0.3 N[C@@H](C)C(OC)=O AK-46616 [0,0,1,0,1,0|2,0,0]=4 514 B6R0.3 N[C@H](C)C(OC)=O AK-49396 [0,0,1,0,1,0|2,0,0]=4 515 B6R0.3 O=C(N(C)C)CN AK-33842 [0,0,1,0,1,0|2,0,0]=4 516 B6R0.3 O=C(N(C)C)CN AK-39204 [0,0,1,0,1,0|2,0,0]=4 517 B6R0.3 O=C(O)C(C)CBr AK116257 [0,0,1,0,1,0|2,0,0]=4 518 B6R1.2 C1C(COC1)O AK-46125 [1,0,0,0,1,0|2,0,0]=4 519 B6R1.2 CC1CNCC1 AK-46149 [1,0,0,0,1,0|1,0,0]=3 520 B6R1.2 C[C@@H]1CCCN1 AK-28779 [1,0,0,0,1,0|1,0,0]=3 521 B6R1.2 C[C@@H]1CNCC1 AK-45142 [1,0,0,0,1,0|1,0,0]=3 522 B6R1.2 FC1CNCC1 AK-38962 [1,0,0,0,1,0|2,0,0]=4 523 B6R1.2 F[C@@H]1CCNC1 AK-30244 [1,0,0,0,1,0|2,0,0]=4 524 B6R1.2 F[C@H]1CCNC1 AK-32303 [1,0,0,0,1,0|2,0,0]=4 525 B6R1.2 IC1COCC1 AK162325 [1,0,0,0,1,0|2,0,0]=4 526 B6R1.2 I[C@H]1COCC1 AK170642 [1,0,0,0,1,0|2,0,0]=4 527 B6R1.2 N1CCC(O)C1 AK-27184 [1,0,0,0,1,0|2,0,0]=4 528 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [1,0,0,0,1,0|1,0,0]=3 529 B6R1.2 NC1=NCCC1 AK-81762 [1,0,0,0,1,0|2,0,0]=4 530 B6R1.2 NC1CC=CC1 AK-44792 [1,0,0,0,1,0|1,0,1]=4 531 B6R1.2 NC1CNCC1 AK-24781 [1,0,0,0,1,0|2,0,0]=4 532 B6R1.2 NC1COCC1 AK-25569 [1,0,0,0,1,0|2,0,0]=4 533 B6R1.2 N[C@@H]1CNCC1 AK-46300 [1,0,0,0,1,0|2,0,0]=4 534 B6R1.2 N[C@@H]1COCC1 AK-32266 [1,0,0,0,1,0|2,0,0]=4 535 B6R1.2 N[C@H]1CNCC1 AK-47751 [1,0,0,0,1,0|2,0,0]=4 536 B6R1.2 N[C@H]1CNCC1 AK-80471 [1,0,0,0,1,0|2,0,0]=4 537 B6R1.2 O1CC[C@H](C1)N AK-32944 [1,0,0,0,1,0|2,0,0]=4 538 B6R1.2 O=C1CCNC1 AK-46584 [1,0,0,0,1,0|1,0,0]=3 539 B6R1.2 O=C1CCOC1 AK-27035 [1,0,0,0,1,0|1,0,0]=3 540 B6R1.2 O=C1CSCC1 AK-40135 [1,0,0,0,1,0|1,0,0]=3 541 B6R1.2 O=C1NNCC1 AK-46169 [1,0,0,0,1,0|2,0,0]=4 542 B6R1.2 O=C1NOCC1 AK122832 [1,0,0,0,1,0|2,0,0]=4 543 B6R1.2 O=C1OCCN1 AK-94050 [1,0,0,0,1,0|2,0,0]=4 544 B6R1.2 O=C1OCCO1 AK101077 [1,0,0,0,1,0|2,0,0]=4 545 B6R1.2 O=C1SCCN1 AK-89361 [1,0,0,0,1,0|2,0,0]=4 546 B6R1.2 OC1CNCC1 AK-53403 [1,0,0,0,1,0|2,0,0]=4 547 B6R1.2 OC1CNCC1 AK134933 [1,0,0,0,1,0|2,0,0]=4 548 B6R1.2 O[C@@H]1CCNC1 AK-32737 [1,0,0,0,1,0|2,0,0]=4 549 B6R1.2 O[C@@H]1CCOC1 AK-36591 [1,0,0,0,1,0|2,0,0]=4 550 B6R1.2 O[C@@H]1CNCC1 AK-32613 [1,0,0,0,1,0|2,0,0]=4 551 B6R1.2 O[C@@H]1CNCC1 AK-33013 [1,0,0,0,1,0|2,0,0]=4 552 B6R1.2 O[C@H]1CCOC1 AK-36590 [1,0,0,0,1,0|2,0,0]=4 553 B6R1.2 O[C@H]1CNCC1 AK-25701 [1,0,0,0,1,0|2,0,0]=4 554 B6R1.5 NC1CC(=O)C1 AK-41683 [0,0,0,0,2,0|1,0,0]=3 555 B6R1.5 NC1CC(C)C1 AK131965 [0,0,0,0,2,0|1,0,1]=4