0 B7R1.2 CC1=NN=C(Br)O1 AK154074 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 CC1=NN=C(C)O1 AK-54981 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.2 CN1CCC(Br)C1 AK-43626 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 CN1C[C@H](O)CC1 AK-44894 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.2 FC1COC(=O)O1 AK111108 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.2 N1=C(SCC1=O)N AK-65159 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.2 NC1=NN=C(C)O1 AK-35499 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.2 N[C@@H]1CC[C@H](O)C1 AK105087 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.2 N[C@@H]1CN(C)CC1 AK149723 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.2 N[C@H]1C[C@H](N)CC1 AK146331 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.2 N[C@H]1C[C@H](O)CC1 AK-65339 [0,0,0,0,0,0|2,0,2]=4 13 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 O=C1CCC(O1)=O AK139125 [0,0,0,0,0,0|1,0,1]=2 15 B7R1.2 O=C1COC(C)=C1 AK142223 [0,0,0,0,0,0|2,0,1]=3 16 B7R1.2 O=C1N=C(N)OC1 AK-80637 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.2 O=C1N=C(N)SC1 AK-65160 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.2 O=C1NC(CC1)=O AK550047 [0,0,0,0,0,0|2,0,1]=3 19 B7R1.2 O=C1NC(CN1)=O AK307300 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.2 O=C1NC(CO1)=O AK-80133 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.2 O=C1NCC(O)C1 AK-64271 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.2 O=C1NN(C)C=C1 AK-67583 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.2 O=C1NNC(C)=C1 AK-25972 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.2 O=C1NOC(C)=C1 AK158281 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,0,0,0,0,0|0,0,2]=2 28 B7R1.2 O=C1OC(C)CC1 AK117314 [0,0,0,0,0,0|0,0,0]=0 29 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,0,0,0,0,0|2,0,0]=2 30 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,0,0,0,0,0|1,0,0]=1 31 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,0,0,0,0,0|1,0,0]=1 32 B7R1.2 O=C1SCC(N1)=O AK-46286 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.2 OC1CC(N)CC1 AK-64395 [0,0,0,0,0,0|2,0,2]=4 34 B7R1.2 OC1CN(C)CC1 AK-29830 [0,0,0,0,0,0|2,0,2]=4 35 B7R1.2 O[C@@H]1CN(C)CC1 AK-44893 [0,0,0,0,0,0|2,0,2]=4 36 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.2 O[C@@H]1C[C@@H](N)CC1 AK122534 [0,0,0,0,0,0|2,0,2]=4 38 B6R1.2 C1C(COC1)O AK-46125 [1,0,0,0,0,0|3,0,0]=4 39 B6R1.2 CC1=NN=CO1 AK-50870 [1,0,0,0,0,0|2,0,1]=4 40 B6R1.2 CC1CNCC1 AK-46149 [1,0,0,0,0,0|2,0,0]=3 41 B6R1.2 C[C@@H]1CCCN1 AK-28779 [1,0,0,0,0,0|1,0,1]=3 42 B6R1.2 C[C@@H]1CNCC1 AK-45142 [1,0,0,0,0,0|2,0,0]=3 43 B6R1.2 FC1CNCC1 AK-38962 [1,0,0,0,0,0|3,0,0]=4 44 B6R1.2 F[C@@H]1CCNC1 AK-30244 [1,0,0,0,0,0|3,0,0]=4 45 B6R1.2 F[C@H]1CCNC1 AK-32303 [1,0,0,0,0,0|3,0,0]=4 46 B6R1.2 IC1COCC1 AK162325 [1,0,0,0,0,0|3,0,0]=4 47 B6R1.2 I[C@H]1COCC1 AK170642 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 N1CCC(O)C1 AK-27184 [1,0,0,0,0,0|3,0,0]=4 49 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [1,0,0,0,0,0|1,0,1]=3 50 B6R1.2 NC1=NCCC1 AK-81762 [1,0,0,0,0,0|2,0,0]=3 51 B6R1.2 NC1CC=CC1 AK-44792 [1,0,0,0,0,0|2,0,1]=4 52 B6R1.2 NC1CNCC1 AK-24781 [1,0,0,0,0,0|3,0,0]=4 53 B6R1.2 NC1COCC1 AK-25569 [1,0,0,0,0,0|3,0,0]=4 54 B6R1.2 N[C@@H]1CNCC1 AK-46300 [1,0,0,0,0,0|3,0,0]=4 55 B6R1.2 N[C@@H]1COCC1 AK-32266 [1,0,0,0,0,0|3,0,0]=4 56 B6R1.2 N[C@H]1CNCC1 AK-47751 [1,0,0,0,0,0|3,0,0]=4 57 B6R1.2 N[C@H]1CNCC1 AK-80471 [1,0,0,0,0,0|3,0,0]=4 58 B6R1.2 O1CC[C@H](C1)N AK-32944 [1,0,0,0,0,0|3,0,0]=4 59 B6R1.2 O=C1CC=NN1 AK-90809 [1,0,0,0,0,0|2,0,1]=4 60 B6R1.2 O=C1CCNC1 AK-46584 [1,0,0,0,0,0|2,0,0]=3 61 B6R1.2 O=C1CCOC1 AK-27035 [1,0,0,0,0,0|2,0,0]=3 62 B6R1.2 O=C1CSCC1 AK-40135 [1,0,0,0,0,0|2,0,0]=3 63 B6R1.2 O=C1NNCC1 AK-46169 [1,0,0,0,0,0|2,0,0]=3 64 B6R1.2 O=C1NOCC1 AK122832 [1,0,0,0,0,0|2,0,0]=3 65 B6R1.2 O=C1OCC=C1 AK163254 [1,0,0,0,0,0|0,0,2]=3 66 B6R1.2 O=C1OCCN1 AK-94050 [1,0,0,0,0,0|1,0,0]=2 67 B6R1.2 O=C1OCCO1 AK101077 [1,0,0,0,0,0|1,0,0]=2 68 B6R1.2 O=C1SCCN1 AK-89361 [1,0,0,0,0,0|1,1,0]=3 69 B6R1.2 OC1CNCC1 AK-53403 [1,0,0,0,0,0|3,0,0]=4 70 B6R1.2 OC1CNCC1 AK134933 [1,0,0,0,0,0|3,0,0]=4 71 B6R1.2 O[C@@H]1CCNC1 AK-32737 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 O[C@@H]1CCOC1 AK-36591 [1,0,0,0,0,0|3,0,0]=4 73 B6R1.2 O[C@@H]1CNCC1 AK-32613 [1,0,0,0,0,0|3,0,0]=4 74 B6R1.2 O[C@@H]1CNCC1 AK-33013 [1,0,0,0,0,0|3,0,0]=4 75 B6R1.2 O[C@H]1CCOC1 AK-36590 [1,0,0,0,0,0|3,0,0]=4 76 B6R1.2 O[C@H]1CNCC1 AK-25701 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.1 O=C1NC(CO)CC1 AK114000 [0,1,0,0,0,0|1,0,0]=2 78 B8R1.1 O=C1NCC(OC)=C1 AK142161 [0,1,0,0,0,0|2,0,1]=4 79 B8R1.1 O=C1N[C@@H](CBr)CC1 AK-45071 [0,1,0,0,0,0|1,0,0]=2 80 B8R1.1 O=C1N[C@H](CBr)CC1 AK-45147 [0,1,0,0,0,0|1,0,0]=2 81 B8R1.1 O=C1OC[C@H](CI)N1 AK131031 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.1 O=C1O[C@H](CCl)CN1 AK110469 [0,1,0,0,0,0|1,0,0]=2 83 B8R1.1 O=CC1=CC=C(C)O1 AK-94177 [0,1,0,0,0,0|0,0,3]=4 84 B8R1.1 O=CC1=CN=C(C)O1 AK-25452 [0,1,0,0,0,0|1,0,2]=4 85 B8R1.1 OC[C@@H]1CCC(=O)N1 AK-25498 [0,1,0,0,0,0|1,0,0]=2 86 B8R1.1 OC[C@H]1CCC(=O)N1 AK-26242 [0,1,0,0,0,0|1,0,0]=2 87 B8R1.18 CC1=C(OC(O1)=O)C AK-49114 [0,1,0,0,0,0|1,0,2]=4 88 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [0,1,0,0,0,0|1,0,1]=3 89 B8R1.18 O=C1N[C@@H](C)C(O1)=O AK109319 [0,1,0,0,0,0|2,0,1]=4 90 B8R1.18 O=C1OC(O)C(C)=C1 AK-59834 [0,1,0,0,0,0|1,0,2]=4 91 B8R1.50 CC1C(CCC1=O)=O AK-50538 [0,1,0,0,0,0|2,0,1]=4 92 B8R1.50 CC=1CCC(C1O)=O AK103328 [0,1,0,0,0,0|1,0,1]=3 93 B8R1.50 O=C1CCC(N1I)=O AK-76663 [0,1,0,0,0,0|2,0,1]=4 94 B8R1.50 O=C1CCC(N1O)=O AK-94009 [0,1,0,0,0,0|2,0,1]=4 95 B8R1.50 O=C1OC[C@@H](O)[C@H]1O AK158528 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.51 CC1(C)CCC(=O)N1 AK-90081 [0,1,0,0,0,0|1,0,0]=2 97 B8R1.51 NC1CCS(C1)(=O)=O AK-81662 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.51 N[C@@H]1CCS(C1)(=O)=O AK210018 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.51 O=C1C[NH2+][Al-](O)(O)O1 AK114163 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.51 O=C1NCC(C)(C)C1 AK118621 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.51 O=C1OC(C)(C)CC1 AK-44637 [0,1,0,0,0,0|0,0,0]=1 102 B6R0.1 CCCC(NN)=O AK-95909 [0,0,1,0,0,0|3,0,0]=4 103 B6R0.1 O=C(NCC)CN AK-65785 [0,0,1,0,0,0|2,0,0]=3 104 B6R0.1 O=C(OC)CCBr AK-91613 [0,0,1,0,0,0|3,0,0]=4 105 B6R0.1 O=C(OC)CCN AK-46776 [0,0,1,0,0,0|3,0,0]=4 106 B6R0.1 O=C(OC)CCO AK-83355 [0,0,1,0,0,0|3,0,0]=4 107 B6R0.1 O=C(OC)CNC AK-58375 [0,0,1,0,0,0|3,0,0]=4 108 B6R0.1 O=C(OC)OCC AK397345 [0,0,1,0,0,0|1,0,0]=2 109 B6R0.1 O=C(OCC)CO AK-98662 [0,0,1,0,0,0|1,0,0]=2 110 B6R0.2 C(C(=O)O)N(C)C AK-41194 [0,0,1,0,0,0|3,0,0]=4 111 B6R0.2 CC(C)NC(C)C AK101661 [0,0,1,0,0,0|2,0,1]=4 112 B6R0.2 CC(NC(C)C)=O AK-86542 [0,0,1,0,0,0|1,0,0]=2 113 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,0,1,0,0,0|2,0,1]=4 114 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [0,0,1,0,0,0|3,0,0]=4 115 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [0,0,1,0,0,0|3,0,0]=4 116 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [0,0,1,0,0,0|3,0,0]=4 117 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [0,0,1,0,0,0|3,0,0]=4 118 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [0,0,1,0,0,0|3,0,0]=4 119 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [0,0,1,0,0,0|3,0,0]=4 120 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,0,1,0,0,0|2,0,1]=4 121 B6R0.2 NC(C)CC(C)C AK205814 [0,0,1,0,0,0|2,0,1]=4 122 B6R0.2 O=C([O-])C[S+](C)C AK543883 [0,0,1,0,0,0|3,0,0]=4 123 B6R0.4 CC(CCCCl)=O AK-48368 [0,0,1,0,0,0|2,0,0]=3 124 B6R0.4 CC(OCCBr)=O AK165045 [0,0,1,0,0,0|3,0,0]=4 125 B6R0.4 CCCCB(O)O AK-44016 [0,0,1,0,0,0|1,0,1]=3 126 B6R0.4 CCCCC([O-])=O AK163205 [0,0,1,0,0,0|0,0,1]=2 127 B6R0.4 NC(OCCC)=O AK116320 [0,0,1,0,0,0|2,0,0]=3 128 B6R0.4 O=C(N)NCCO AK121931 [0,0,1,0,0,0|3,0,0]=4 129 B6R0.4 O=C(O)CCC#N AK-47909 [0,0,1,0,0,0|1,0,1]=3 130 B6R0.4 O=C(O)CCCCl AK113749 [0,0,1,0,0,0|1,0,0]=2 131 B6R0.4 O=C(O)CCCN AK-43987 [0,0,1,0,0,0|1,0,0]=2 132 B6R0.4 O=C(O)CCNC AK155866 [0,0,1,0,0,0|1,0,0]=2 133 B6R0.4 O=C(O)CCOC AK-88477 [0,0,1,0,0,0|1,0,0]=2 134 B6R0.4 OC(=O)CCC#C AK-32594 [0,0,1,0,0,0|0,0,2]=3 135 B6R0.4 OCNCC(=O)[O-] AK-79027 [0,0,1,0,0,0|2,0,1]=4 136 B8R2.34 C12NC(CC1)CC2 AK-34482 [0,0,0,1,0,0|2,0,1]=4 137 B6R1.5 NC1CC(=O)C1 AK-41683 [0,0,0,0,1,0|2,0,0]=3 138 B6R1.5 NC1CC(C)C1 AK131965 [0,0,0,0,1,0|2,0,1]=4 139 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,0,0,0,0,1|2,0,0]=3 140 B8R1.3 C[C@@H]1CO[C@@H](C)CN1 AK554540 [0,0,0,0,0,1|2,0,1]=4 141 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AK144819 [0,0,0,0,0,1|2,0,1]=4 142 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AK144820 [0,0,0,0,0,1|2,0,1]=4 143 B8R1.3 N[C@H]1CC[C@@H](C)CC1 AK139194 [0,0,0,0,0,1|2,0,1]=4 144 B8R1.3 N[C@H]1CC[C@H](C)CC1 AK114539 [0,0,0,0,0,1|2,0,1]=4 145 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [0,0,0,0,0,1|2,0,1]=4 146 B8R1.3 O=C1CCC(C)=NN1 AK-88553 [0,0,0,0,0,1|1,0,1]=3 147 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,0,0,0,0,1|2,0,0]=3 148 B8R1.3 O=C1COC(O)C=C1 AK-82130 [0,0,0,0,0,1|1,0,2]=4 149 B8R1.3 O=C1NCC(N)CC1 AK132996 [0,0,0,0,0,1|2,0,0]=3 150 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,0,0,0,0,1|2,0,0]=3 151 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [0,0,0,0,0,1|2,0,0]=3 152 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,0,0,0,0,1|2,0,0]=3 153 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,0,0,0,0,1|2,0,0]=3 154 B8R1.4 CC1COCC(C)N1 AK138217 [0,0,0,0,0,1|2,0,1]=4 155 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,0,0,0,0,1|2,0,0]=3 156 B8R1.4 C[C@@H]1CN(C)CCN1 AK158560 [0,0,0,0,0,1|3,0,0]=4 157 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AK143124 [0,0,0,0,0,1|2,0,1]=4 158 B8R1.4 C[C@@H]1COC[C@@H](C)N1 AK147246 [0,0,0,0,0,1|2,0,1]=4 159 B8R1.4 C[C@H]1CN(C)CCN1 AK106695 [0,0,0,0,0,1|3,0,0]=4 160 B8R1.4 C[C@H]1O[C@H](C)CNC1 AK-67874 [0,0,0,0,0,1|1,0,1]=3 161 B8R1.4 N1CCC(CC1=O)=O AK-23571 [0,0,0,0,0,1|2,0,1]=4 162 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,0,0,0,0,1|2,0,0]=3 163 B8R1.4 NC=1CCCC(C1)=O AK-49851 [0,0,0,0,0,1|2,0,1]=4 164 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,0,0,0,0,1|1,0,0]=2 165 B8R1.4 O=C1CC(CCC1)=O AK-44688 [0,0,0,0,0,1|2,0,1]=4 166 B8R1.4 O=C1CC(COC1)=O AK-32470 [0,0,0,0,0,1|2,0,1]=4 167 B8R1.4 O=C1CSCC(=O)C1 AK-32471 [0,0,0,0,0,1|2,0,1]=4 168 B8R1.4 O=C1CSCC(O1)=O AK307186 [0,0,0,0,0,1|1,0,1]=3 169 B8R1.4 O=C1NC(=O)CNC1 AK-26011 [0,0,0,0,0,1|2,0,1]=4 170 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,0,0,0,0,1|2,0,0]=3 171 B8R1.4 O=C1NCCN(C)C1 AK-77137 [0,0,0,0,0,1|2,0,0]=3 172 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,0,0,0,0,1|2,0,0]=3 173 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [0,0,0,0,0,1|1,0,0]=2 174 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [0,0,0,0,0,1|1,0,0]=2 175 B8R1.4 O=C1[CH-]C(COC1)=O AK-42250 [0,0,0,0,0,1|2,0,1]=4 176 B5R0.1 C#CCC(O)=O AK106962 [1,0,1,0,0,0|0,0,2]=4 177 B5R0.1 C(C(=O)O)NC AK-47434 [1,0,1,0,0,0|1,0,0]=3 178 B5R0.1 CC#CC(O)=O AK-49957 [1,0,1,0,0,0|0,0,2]=4 179 B5R0.1 CC(N)CCO AK-81869 [1,0,1,0,0,0|1,0,1]=4 180 B5R0.1 CCCB(O)O AK-47948 [1,0,1,0,0,0|1,0,1]=4 181 B5R0.1 CNCC(N)=O AK-90265 [1,0,1,0,0,0|2,0,0]=4 182 B5R0.1 C[C@@H](N)CCC AK608015 [1,0,1,0,0,0|1,0,1]=4 183 B5R0.1 C[C@@H](N)CCO AK-41725 [1,0,1,0,0,0|1,0,1]=4 184 B5R0.1 C[C@@H](O)CCO AK-86774 [1,0,1,0,0,0|0,0,1]=3 185 B5R0.1 C[C@H](N)CCC AK171191 [1,0,1,0,0,0|1,0,1]=4 186 B5R0.1 C[C@H](N)CCO AK-41726 [1,0,1,0,0,0|1,0,1]=4 187 B5R0.1 NCCC(N)=O AK-26218 [1,0,1,0,0,0|2,0,0]=4 188 B5R0.1 NCCC(O)=O AK-41261 [1,0,1,0,0,0|1,0,0]=3 189 B5R0.1 O=C(N)CSC AK-34209 [1,0,1,0,0,0|2,0,0]=4 190 B5R0.1 O=CCN(C)C AK136086 [1,0,1,0,0,0|2,0,0]=4 191 B5R0.1 O=CCN(C)C AK172998 [1,0,1,0,0,0|2,0,0]=4 192 B5R0.1 O=P(CCN)O AK477259 [1,0,1,0,0,0|2,0,0]=4 193 B5R0.2 C=CCCCO AK325629 [1,0,1,0,0,0|1,0,0]=3 194 B5R0.2 NOCCCC AK-85835 [1,0,1,0,0,0|2,0,0]=4 195 B5R0.2 OCCCCN AK-58038 [1,0,1,0,0,0|1,0,1]=4 196 B5R0.2 OCCCNC AK112615 [1,0,1,0,0,0|1,0,1]=4 197 B5R0.3 CCC(CN)=O AK-38468 [1,0,1,0,0,0|1,0,0]=3 198 B5R0.3 CCC(CO)=O AK149491 [1,0,1,0,0,0|1,0,0]=3 199 B5R0.3 CNC(=O)CCl AK-82796 [1,0,1,0,0,0|2,0,0]=4 200 B5R0.3 C[C@@H](OC)CN AK153940 [1,0,1,0,0,0|1,0,1]=4 201 B5R0.3 NCC(OC)=O AK-43994 [1,0,1,0,0,0|1,0,0]=3 202 B5R0.3 NNC(OC)=O AK109362 [1,0,1,0,0,0|2,0,0]=4 203 B5R0.3 O=C(CO)CO AK-46682 [1,0,1,0,0,0|2,0,0]=4 204 B5R0.3 O=C(OC)CO AK-98661 [1,0,1,0,0,0|1,0,0]=3 205 B5R0.3 O=C[C@H](O)CO AK122382 [1,0,1,0,0,0|2,0,0]=4 206 B5R1.1 N1CC=CC1 AK-35945 [2,0,0,0,0,0|2,0,0]=4 207 B7R0.2 CCC(N)CC(O)=O AK-45971 [0,1,1,0,0,0|2,0,0]=4 208 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [0,1,1,0,0,0|2,0,0]=4 209 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [0,1,1,0,0,0|2,0,0]=4 210 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [0,1,1,0,0,0|2,0,0]=4 211 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [0,1,1,0,0,0|2,0,0]=4 212 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [0,1,1,0,0,0|2,0,0]=4 213 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,1,1,0,0,0|1,0,0]=3 214 B7R0.3 O=C(OC)CCCBr AK-94853 [0,1,1,0,0,0|2,0,0]=4 215 B7R0.3 O=C(OC)CCNC AK-85857 [0,1,1,0,0,0|2,0,0]=4 216 B7R0.5 CC(C)C(OCCl)=O AK163215 [0,1,1,0,0,0|1,0,0]=3 217 B7R0.5 CCOC(=O)C(C)N AK-46063 [0,1,1,0,0,0|0,0,0]=2 218 B7R0.5 CCOC(=O)C(N)=O AK-45440 [0,1,1,0,0,0|1,0,1]=4 219 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [0,1,1,0,0,0|0,0,0]=2 220 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [0,1,1,0,0,0|0,0,0]=2 221 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [0,1,1,0,0,0|0,0,0]=2 222 B7R0.5 O=C(OCC)C(N)=S AK-45462 [0,1,1,0,0,0|1,0,1]=4 223 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,1,1,0,0,0|0,0,0]=2 224 B7R0.7 CC#CC(OCC)=O AK-44989 [0,1,1,0,0,0|0,0,1]=3 225 B7R0.7 CCOC(=O)CCBr AK-76993 [0,1,1,0,0,0|0,0,0]=2 226 B7R0.7 CCOC(=O)CCO AK-41251 [0,1,1,0,0,0|0,0,0]=2 227 B7R0.7 O=C(COC)COC AK116819 [0,1,1,0,0,0|2,0,0]=4 228 B7R0.7 O=C(NCC)NCC AK116700 [0,1,1,0,0,0|1,0,0]=3 229 B7R0.7 O=C(OCC)C#CBr AK127753 [0,1,1,0,0,0|0,0,2]=4 230 B7R0.7 O=C(OCC)CCN AK-49791 [0,1,1,0,0,0|0,0,0]=2 231 B7R0.7 O=C(OCC)CNC AK-44190 [0,1,1,0,0,0|0,0,0]=2 232 B7R0.7 O=C(OCC)CNN AK-50556 [0,1,1,0,0,0|1,0,0]=3 233 B7R0.7 O=C(OCC)OCCl AK128867 [0,1,1,0,0,0|1,0,0]=3 234 B7R0.7 O=C(OCC)\C=C\I AK117013 [0,1,1,0,0,0|0,0,2]=4 235 B7R0.10 CCC(N(OC)C)=O AK130253 [0,1,1,0,0,0|2,0,0]=4 236 B7R0.10 CCC(N)C(OC)=O AK115477 [0,1,1,0,0,0|2,0,0]=4 237 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [0,1,1,0,0,0|2,0,0]=4 238 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [0,1,1,0,0,0|2,0,0]=4 239 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [0,1,1,0,0,0|2,0,0]=4 240 B7R0.9 CC(C)(N)CC(O)=O AK-40032 [0,1,1,0,0,0|2,0,0]=4 241 B7R0.9 CS(=O)(OC(C)C)=O AK117725 [0,1,1,0,0,0|1,0,0]=3 242 B7R0.9 NC(CC(=O)O)(C)C AK-35892 [0,1,1,0,0,0|2,0,0]=4 243 B7R0.9 NC(OC(C)(C)C)=O AK-40118 [0,1,1,0,0,0|1,0,0]=3 244 B7R0.16 CC(C)C(C(O)=O)=O AK-82417 [0,1,1,0,0,0|2,0,0]=4 245 B7R0.16 CC(C)C(C([O-])=O)=O AK109059 [0,1,1,0,0,0|2,0,0]=4 246 B7R0.16 CC(C)C(C)C(O)=O AK-78535 [0,1,1,0,0,0|2,0,0]=4 247 B7R0.16 CC(C)C(O)C(O)=O AK140040 [0,1,1,0,0,0|2,0,0]=4 248 B7R0.16 CC(C)[C@H](N)C(O)=O AK-93420 [0,1,1,0,0,0|2,0,0]=4 249 B7R0.16 CC(C)[C@H](O)C(O)=O AK146081 [0,1,1,0,0,0|2,0,0]=4 250 B7R0.16 N[C@H](C(C)C)C(N)=O AK-49356 [0,1,1,0,0,0|2,0,0]=4 251 B7R0.16 [C@H](N)(C(C)C)C(N)=O AK-81293 [0,1,1,0,0,0|2,0,0]=4 252 B7R0.4 C#CCCCC(O)=O AK112298 [0,1,1,0,0,0|0,0,1]=3 253 B7R0.4 C(CCC#N)C(O)=O AK-40359 [0,1,1,0,0,0|0,0,1]=3 254 B7R0.4 CC(O)CNCCO AK142435 [0,1,1,0,0,0|0,0,2]=4 255 B7R0.4 CC(OCCCCl)=O AK167628 [0,1,1,0,0,0|2,0,0]=4 256 B7R0.4 CCCCCB(O)O AK-46118 [0,1,1,0,0,0|1,0,1]=4 257 B7R0.4 COCCCC(O)=O AK-76729 [0,1,1,0,0,0|0,0,0]=2 258 B7R0.4 NC(OCCCC)=O AK116656 [0,1,1,0,0,0|1,0,0]=3 259 B7R0.4 O=C(N)COCCCl AK113880 [0,1,1,0,0,0|2,0,0]=4 260 B7R0.4 O=C(O)CCCCBr AK113954 [0,1,1,0,0,0|0,0,0]=2 261 B7R0.4 O=C(O)CCCCCl AK139351 [0,1,1,0,0,0|0,0,0]=2 262 B7R0.4 O=C(O)CCCCO AK198817 [0,1,1,0,0,0|0,0,0]=2 263 B7R0.4 O=C(O)\C=C\OCC AK-46090 [0,1,1,0,0,0|0,0,2]=4 264 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [0,1,1,0,0,0|0,0,1]=3 265 B7R0.6 CC(=O)NCC(O)=O AK-49883 [0,1,1,0,0,0|1,0,1]=4 266 B7R0.6 C[S+](CCC(O)=O)C AK114711 [0,1,1,0,0,0|1,0,0]=3 267 B7R0.6 O=C(O)CCN(C)C AK-33348 [0,1,1,0,0,0|1,0,0]=3 268 B7R0.8 C([P](O)(O)=O)CCN AK-33107 [0,1,1,0,0,0|2,0,0]=4 269 B7R0.8 CCCCS(=O)([O-])=O AK-86030 [0,1,1,0,0,0|1,0,1]=4 270 B7R0.8 O=S(CCCN)(O)=O AK208811 [0,1,1,0,0,0|2,0,0]=4 271 B7R1.1 BrCC1CCCC1 AK-88361 [1,1,0,0,0,0|1,0,1]=4 272 B7R1.1 BrCC1CCOC1 AK-51697 [1,1,0,0,0,0|2,0,0]=4 273 B7R1.1 BrCC1OCCO1 AK110803 [1,1,0,0,0,0|1,0,1]=4 274 B7R1.1 C(C1CCCC1)O AK-46653 [1,1,0,0,0,0|1,0,1]=4 275 B7R1.1 CC[C@H]1NCCC1 AK131266 [1,1,0,0,0,0|1,0,1]=4 276 B7R1.1 CNC1COCC1 AK-48592 [1,1,0,0,0,0|2,0,0]=4 277 B7R1.1 COC1=NCCC1 AK-49858 [1,1,0,0,0,0|1,0,1]=4 278 B7R1.1 COC1CNCC1 AK-33180 [1,1,0,0,0,0|2,0,0]=4 279 B7R1.1 CO[C@@H]1CNCC1 AK-36107 [1,1,0,0,0,0|2,0,0]=4 280 B7R1.1 CO[C@H]1CNCC1 AK-35279 [1,1,0,0,0,0|2,0,0]=4 281 B7R1.1 NCC1CCCC1 AK-27938 [1,1,0,0,0,0|1,0,1]=4 282 B7R1.1 NCC1CCOC1 AK-33831 [1,1,0,0,0,0|2,0,0]=4 283 B7R1.1 NCC1COCC1 AK-50648 [1,1,0,0,0,0|2,0,0]=4 284 B7R1.1 NCC1NCCC1 AK-26146 [1,1,0,0,0,0|1,0,1]=4 285 B7R1.1 NC[C@@H]1NCCC1 AK110323 [1,1,0,0,0,0|1,0,1]=4 286 B7R1.1 NC[C@H]1NCCC1 AK-48661 [1,1,0,0,0,0|1,0,1]=4 287 B7R1.1 OCC1CC=CC1 AK-48070 [1,1,0,0,0,0|1,0,1]=4 288 B7R1.1 OCC1CCCN1 AK-40306 [1,1,0,0,0,0|1,0,1]=4 289 B7R1.1 OCC1CNCC1 AK-26048 [1,1,0,0,0,0|2,0,0]=4 290 B7R1.1 OCC1CNCC1 AK-38963 [1,1,0,0,0,0|2,0,0]=4 291 B7R1.1 OCC1CNCC1 AK105115 [1,1,0,0,0,0|2,0,0]=4 292 B7R1.1 OCC1COCC1 AK-51698 [1,1,0,0,0,0|2,0,0]=4 293 B7R1.1 OCC1OCCC1 AK106959 [1,1,0,0,0,0|0,0,1]=3 294 B7R1.1 OCC1OCCO1 AK159792 [1,1,0,0,0,0|1,0,1]=4 295 B7R1.1 OCC1OCOC1 AK112875 [1,1,0,0,0,0|1,0,1]=4 296 B7R1.1 OC[C@@H]1CNCC1 AK-81401 [1,1,0,0,0,0|2,0,0]=4 297 B7R1.1 OC[C@@H]1NCCC1 AK-44186 [1,1,0,0,0,0|1,0,1]=4 298 B7R1.1 OC[C@H]1CNCC1 AK-32836 [1,1,0,0,0,0|2,0,0]=4 299 B7R1.1 OC[C@H]1CNCC1 AK108367 [1,1,0,0,0,0|2,0,0]=4 300 B7R1.1 OC[C@H]1COCC1 AK129134 [1,1,0,0,0,0|2,0,0]=4 301 B7R1.1 OC[C@H]1NCCC1 AK-46693 [1,1,0,0,0,0|1,0,1]=4 302 B7R1.4 CC1CSCC1=O AK104742 [1,1,0,0,0,0|2,0,0]=4 303 B7R1.4 NC1CONC1=O AK-87856 [1,1,0,0,0,0|2,0,0]=4 304 B7R1.4 NN1CCCC1=O AK-78653 [1,1,0,0,0,0|1,0,0]=3 305 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [1,1,0,0,0,0|0,0,0]=2 306 B7R1.4 N[C@H]1CCOC1=O AK-41531 [1,1,0,0,0,0|0,0,0]=2 307 B7R1.4 O=C1C(CCO1)Br AK-35370 [1,1,0,0,0,0|0,0,0]=2 308 B7R1.4 O=C1C(N)CCS1 AK117085 [1,1,0,0,0,0|0,1,0]=3 309 B7R1.4 O=C1C(O)=CCC1 AK-43709 [1,1,0,0,0,0|1,0,1]=4 310 B7R1.4 O=C1NCCN1C AK-78526 [1,1,0,0,0,0|2,0,0]=4 311 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [1,1,0,0,0,0|1,0,0]=3 312 B7R1.4 O=C1NCC[C@H]1N AK-43088 [1,1,0,0,0,0|1,0,0]=3 313 B7R1.4 O=C1NCC[C@H]1O AK-39107 [1,1,0,0,0,0|1,0,0]=3 314 B7R1.4 O=C1NOC[C@H]1N AK-26256 [1,1,0,0,0,0|2,0,0]=4 315 B7R1.4 O=C1OCCC1N AK543042 [1,1,0,0,0,0|0,0,0]=2 316 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [1,1,0,0,0,0|0,0,0]=2 317 B7R1.4 OC1CCNC1=O AK-39164 [1,1,0,0,0,0|1,0,0]=3 318 B7R1.4 S=C1N(C)CCC1 AK308101 [1,1,0,0,0,0|1,1,0]=4 319 B7R1.14 CC1(C)NCCC1 AK-76555 [1,1,0,0,0,0|1,0,1]=4 320 B7R1.14 CC1(O)CCNC1 AK-41154 [1,1,0,0,0,0|2,0,0]=4 321 B7R1.14 CC1(O)CCNC1 AK100495 [1,1,0,0,0,0|2,0,0]=4 322 B7R1.14 O=S1(OCCC1)=O AK-54023 [1,1,0,0,0,0|1,0,0]=3 323 B7R1.14 O=S1(OCCO1)=O AK116907 [1,1,0,0,0,0|2,0,0]=4 324 B7R1.10 N#CC1CC(C1)=O AK-33992 [0,1,0,0,1,0|1,0,1]=4 325 B7R1.10 O=C1CC(CBr)C1 AK135042 [0,1,0,0,1,0|1,0,0]=3 326 B9R1.1 C1(CCC(=O)CC1)CC AK-47285 [0,1,0,0,0,1|1,0,0]=3 327 B9R1.1 N#CC1CCC(CC1)=O AK-46872 [0,1,0,0,0,1|1,0,1]=4 328 B9R1.1 O=C1CCC(CO)CC1 AK114473 [0,1,0,0,0,1|1,0,0]=3 329 B9R1.1 O=C1CCC(NC)CC1 AK-43402 [0,1,0,0,0,1|1,0,0]=3 330 B9R1.1 O=C1CCC(OC)CC1 AK-58310 [0,1,0,0,0,1|1,0,0]=3 331 B9R1.1 O=C1NCC(CO)CC1 AK-88773 [0,1,0,0,0,1|1,0,0]=3 332 B9R1.1 O=CC1CCC(CC1)=O AK-46502 [0,1,0,0,0,1|1,0,1]=4 333 B9R1.10 C1(CCC(CC1)=O)(C)C AK-32039 [0,1,0,0,0,1|1,0,0]=3 334 B9R1.10 FC1(CCC(CC1)=O)F AK-39536 [0,1,0,0,0,1|2,0,0]=4 335 B9R1.10 O=C1C=CC(C)(C)CC1 AK-49233 [0,1,0,0,0,1|1,0,0]=3 336 B9R1.10 O=C1COC(C)(C)OC1 AK-36260 [0,1,0,0,0,1|1,0,0]=3 337 B9R1.10 O=C1NCC(C)(O)CC1 AK151491 [0,1,0,0,0,1|1,0,0]=3 338 B9R1.69 C1C(N)C(=O)NC(=O)C1 AK-46561 [0,1,0,0,0,1|2,0,0]=4 339 B9R1.69 CC1CCC(=O)NC1=O AK-80663 [0,1,0,0,0,1|1,0,0]=3 340 B9R1.69 O=C1C(C)CN(C)CC1 AK-31130 [0,1,0,0,0,1|2,0,0]=4 341 B9R1.69 O=C1CC(C(CN1)C)=O AK-24495 [0,1,0,0,0,1|1,0,1]=4 342 B9R1.69 O=C1N(C)C[C@@H](C)NC1 AK188522 [0,1,0,0,0,1|2,0,0]=4 343 B9R1.69 O=C1N(C)C[C@H](C)NC1 AK188521 [0,1,0,0,0,1|2,0,0]=4 344 B9R1.2 O=C1NC(CO)COC1 AK130955 [0,1,0,0,0,1|1,0,0]=3 345 B9R1.2 O=C1NCCC(CO)C1 AK170344 [0,1,0,0,0,1|1,0,0]=3 346 B9R1.2 O=C1NCCN(CC)C1 AK480961 [0,1,0,0,0,1|2,0,0]=4 347 B9R1.66 O=C1CC(C)(C)CCC1 AK-77355 [0,1,0,0,0,1|1,0,0]=3 348 B9R1.66 O=C1CC(C)(C)NCC1 AK158739 [0,1,0,0,0,1|1,0,0]=3 349 B9R1.66 O=C1CC(C)(C)OCC1 AK-25320 [0,1,0,0,0,1|1,0,0]=3 350 B9R1.7 O=C1OC[C@H](CCC)C1 AK543520 [0,2,0,0,0,0|2,0,0]=4 351 B9R1.22 O=C1O[C@H](CO)[C@@H](O)C1 AK-98144 [0,2,0,0,0,0|0,0,0]=2 352 B9R1.35 O=C(C1CCC(N1)=O)O AK-41431 [0,2,0,0,0,0|1,0,1]=4 353 B9R1.35 O=C(C1CCC(O1)=O)O AK154758 [0,2,0,0,0,0|0,0,1]=3 354 B9R1.35 O=C([C@@H]1CC(CC1)=O)O AK100868 [0,2,0,0,0,0|1,0,1]=4 355 B9R1.35 O=C([C@@H]1CCC(N1)=O)O AK-61177 [0,2,0,0,0,0|1,0,1]=4 356 B9R1.35 O=C([C@H]1CC(CC1)=O)O AK-99964 [0,2,0,0,0,0|1,0,1]=4 357 B9R1.35 O=C([C@H]1CCC(N1)=O)O AK-46027 [0,2,0,0,0,0|1,0,1]=4 358 B9R1.35 O=C([C@H]1CCC(O1)=O)O AK-39191 [0,2,0,0,0,0|0,0,1]=3 359 B9R1.35 O=C1CC(CC1)C(=O)O AK-31826 [0,2,0,0,0,0|1,0,1]=4 360 B9R1.35 O=C1CN(C(C)=O)CC1 AK159618 [0,2,0,0,0,0|2,0,0]=4 361 B9R1.35 O=C1OC[C@@H](C(C)C)N1 AK-36974 [0,2,0,0,0,0|2,0,0]=4 362 B9R1.35 O=C1OC[C@H](C(C)C)N1 AK-33649 [0,2,0,0,0,0|2,0,0]=4 363 B9R1.133 O=C[C@H]1OC(C)(C)OC1 AK142723 [0,2,0,0,0,0|1,0,1]=4 364 B9R1.38 CC1(C(OC(C1)=O)=O)C AK-46649 [0,2,0,0,0,0|1,0,1]=4 365 B9R1.38 O=C1NC(C(O1)(C)C)=O AK130093 [0,2,0,0,0,0|1,0,1]=4 366 B9R1.138 O=C1OCC(C)(C)C1O AK114317 [0,2,0,0,0,0|2,0,0]=4 367 B7R1.3 C1C(=O)CCNC1 AK-46400 [0,0,1,1,0,0|2,0,0]=4 368 B7R1.3 O=C1CCCCO1 AK101117 [0,0,1,1,0,0|0,0,0]=2 369 B7R1.3 O=C1CCCOC1 AK-32516 [0,0,1,1,0,0|2,0,0]=4 370 B7R1.3 O=C1CCOCC1 AK-25731 [0,0,1,1,0,0|2,0,0]=4 371 B7R1.3 O=C1CCSCC1 AK-25499 [0,0,1,1,0,0|2,0,0]=4 372 B7R1.3 O=C1CNCCC1 AK-38925 [0,0,1,1,0,0|2,0,0]=4 373 B7R1.3 O=C1CNCCC1 AK-64363 [0,0,1,1,0,0|2,0,0]=4 374 B7R1.3 O=C1COCCN1 AK-37649 [0,0,1,1,0,0|2,0,0]=4 375 B7R1.3 O=C1CSCCC1 AK112945 [0,0,1,1,0,0|2,0,0]=4 376 B7R1.3 O=C1NCCCN1 AK-40132 [0,0,1,1,0,0|2,0,0]=4 377 B7R1.3 O=C1NCCNC1 AK-26132 [0,0,1,1,0,0|2,0,0]=4 378 B7R1.3 O=C1NCCSC1 AK-94004 [0,0,1,1,0,0|2,0,0]=4 379 B7R1.3 O=C1OCCOC1 AK117129 [0,0,1,1,0,0|1,0,0]=3 380 B7R1.3 O=S1OCCCO1 AK307879 [0,0,1,1,0,0|2,0,0]=4 381 B7R1.18 C(=O)(C1OCC1)O AK-38212 [0,0,1,1,0,0|1,0,0]=3 382 B7R1.18 C1(CCC1)C(C)O AK-39885 [0,0,1,1,0,0|1,0,1]=4 383 B7R1.18 N1CC[C@@H]1C(=O)O AK-23961 [0,0,1,1,0,0|1,0,0]=3 384 B7R1.18 O=C(C1CCC1)N AK117552 [0,0,1,1,0,0|1,0,0]=3 385 B7R1.18 O=C(C1CNC1)O AK-21934 [0,0,1,1,0,0|1,0,0]=3 386 B7R1.18 O=C([C@@H]1NCC1)O AK118698 [0,0,1,1,0,0|1,0,0]=3 387 B7R1.18 OB(C1CCC1)O AK-84302 [0,0,1,1,0,0|1,0,1]=4 388 B7R1.18 OC(=O)C1CCN1 AK-27256 [0,0,1,1,0,0|1,0,0]=3 389 B7R2.13 C12CNCC1C2 AK-38211 [1,0,0,1,0,0|2,0,0]=4 390 B9R2.25 O=C1OC(C2CC12)=O AK-38223 [0,0,0,1,0,1|1,0,1]=4 391 B9R2.39 C12C=CC(C(N1)=O)C2 AK-29304 [0,0,0,1,0,1|1,0,1]=4 392 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 AK-42226 [0,0,0,1,0,1|0,0,0]=2 393 B9R2.39 [C@@H]12C[C@@H](NC1=O)C=C2 AK-26899 [0,0,0,1,0,1|1,0,1]=4 394 B9R2.68 C12OC(CNC1)CC2 AK-32096 [0,0,0,1,0,1|1,0,1]=4 395 B5R0.5 CC(C)C(N)=O AK-80490 [0,0,1,0,1,0|1,0,0]=3 396 B5R0.5 CC(O)C([O-])=O AK114515 [0,0,1,0,1,0|2,0,0]=4 397 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [0,0,1,0,1,0|2,0,0]=4 398 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [0,0,1,0,1,0|2,0,0]=4 399 B5R0.5 C[C@H](N)C(N)=O AK-46287 [0,0,1,0,1,0|2,0,0]=4 400 B5R0.5 C[C@H](O)C([O-])=O AK121770 [0,0,1,0,1,0|2,0,0]=4 401 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [0,0,1,0,1,0|2,0,0]=4 402 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [0,0,1,0,1,0|2,0,0]=4 403 B5R0.5 N[C@@H](C)C(O)=O AK650445 [0,0,1,0,1,0|2,0,0]=4 404 B5R1.2 O1CC(C1)=O AK-32211 [1,0,0,0,1,0|1,0,0]=3 405 B5R1.2 O=C1CNC1 AK-59488 [1,0,0,0,1,0|1,0,0]=3 406 B5R1.2 O=C1CSC1 AK-41121 [1,0,0,0,1,0|1,0,0]=3 407 B5R1.2 O=C1NCC1 AK-36897 [1,0,0,0,1,0|1,0,0]=3 408 B9R1.49 O=C1NCC(N)CCC1 AK129608 [0,0,0,0,0,2|2,0,0]=4 409 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [0,0,0,0,0,2|2,0,0]=4 410 B9R1.48 O=C1NCCCC(N)C1 AK132100 [0,0,0,0,0,2|2,0,0]=4