0 B7R0.7 CCOC(=O)CCN AC-19163 [0,0,0,0,0,0|2,1,1]=4 1 B7R0.7 CSCC(O)CNN AC-9029 [0,0,0,0,0,0|3,1,0]=4 2 B7R0.7 O=C(CCCl)CCCl AC-873 [0,0,0,0,0,0|2,1,1]=4 3 B6R0.1 CC(CO)CCN AC-31753 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.1 CNCC(O)CO AC-23234 [1,0,0,0,0,0|1,1,0]=3 5 B6R0.1 COC[C@@H](N)CO AC-13526 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.1 OCC[C@@H](O)CO AC-13918 [1,0,0,0,0,0|1,1,0]=3 7 B6R0.1 OCC[C@H](O)CO AC-13895 [1,0,0,0,0,0|1,1,0]=3 8 B6R0.6 ClCCNCCCl AC-22676 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.6 ICCOCCI AC-33902 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.5 CCOC(=O)C[C@@H](C)O AC-5700 [0,1,0,0,0,0|1,1,1]=4 11 B8R1.4 CC1CCNC(C)C1 AC-16581 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.4 CN1CCCC(N)C1 AC-25593 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.4 CN1CCCC(N)C1 AC-3555 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.4 CN1CCC[C@@H](N)C1 AC-29540 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.4 CN1CCC[C@@H](N)C1 AC-30734 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.4 CN1CCC[C@H](N)C1 AC-29541 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.4 C[C@H]1CN(C)CCN1 AC-30550 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.4 NC1CCCC(O)C1 AC-1188 [0,0,0,1,0,0|1,0,0]=2 19 B8R1.4 NC1CCCC(O)C1 AC-29440 [0,0,0,1,0,0|1,0,0]=2 20 B8R1.4 O=C1CC(O)CCN1 AC-7497 [0,0,0,1,0,0|1,1,1]=4 21 B8R1.8 BrCCN1CCCC1 AC-17198 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.8 BrCCN1CCCC1 AC-17199 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.8 COC[C@@H]1CCCN1 AC-23477 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.8 COC[C@H]1CCCN1 AC-23478 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.8 ClCCN1CCCC1 AC-17196 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.8 ClCCN1CCCC1 AC-17197 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.8 ClCCN1CCCC1 AC-8320 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.8 OCCN1CCCC1 AC-18883 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.11 CN1CCC[C@@H]1CO AC-24076 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.11 CN1CCC[C@H]1CO AC-24075 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.22 CN1CCCNCC1 AC-9085 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.22 CN1CCCNCC1 AC-989 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.22 NC1CCCCNC1 AC-23372 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.22 NC1CCCNCC1 AC-4607 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.22 O=C1CCCNCC1 AC-862 [0,0,0,1,0,0|1,1,1]=4 36 B8R1.22 OC1CCCNCC1 AC-4606 [0,0,0,1,0,0|1,1,0]=3 37 B8R1.22 OC1CCCNCC1 AC-9043 [0,0,0,1,0,0|1,1,0]=3 38 B8R1.37 COCC(N)C1CC1 AC-7880 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.37 COCC(N)C1CC1 AC-7881 [0,0,0,1,0,0|3,0,0]=4 40 B5R0.1 COC[C@@H](C)N AC-28410 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 C[C@@H](O)CCO AC-5640 [2,0,0,0,0,0|0,1,0]=3 42 B5R0.2 NCCCCN AC-4426 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.2 NCCCCO AC-034 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.3 NC(CO)CO AC-13723 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.3 NCC(O)CO AC-23129 [2,0,0,0,0,0|1,1,0]=4 46 B5R0.3 NC[C@@H](O)CO AC-7033 [2,0,0,0,0,0|1,1,0]=4 47 B5R0.3 NC[C@H](O)CO AC-13922 [2,0,0,0,0,0|1,1,0]=4 48 B5R0.3 NC[C@H](O)CO AC-7162 [2,0,0,0,0,0|1,1,0]=4 49 B5R0.3 OC[C@@H](O)CCl AC-7038 [2,0,0,0,0,0|1,1,0]=4 50 B5R0.3 OC[C@H](O)CCl AC-7037 [2,0,0,0,0,0|1,1,0]=4 51 B7R0.2 CC(C)C[C@@H](N)CO AC-24086 [1,1,0,0,0,0|1,0,0]=3 52 B7R0.2 CCC(C)CC(C)N AC-369 [1,1,0,0,0,0|1,0,0]=3 53 B7R0.2 CC[C@@H](N)CC(=O)O AC-9143 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.2 [C@@H](N)(CO)CC(C)C AC-1342 [1,1,0,0,0,0|1,0,0]=3 55 B7R0.3 COCO[C@@H](C)CO AC-6918 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.3 COCO[C@H](C)CO AC-6917 [1,1,0,0,0,0|2,0,0]=4 57 B7R0.3 CSCC[C@H](N)CO AC-13954 [1,1,0,0,0,0|1,0,0]=3 58 B7R0.5 CCCC(N)C(=O)O AC-24060 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.5 CCC[C@@H](N)C(=O)O AC-24059 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.5 CCC[C@H](N)C(=O)O AC-31149 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.10 CC[C@H](C)[C@H](N)CO AC-31983 [1,1,0,0,0,0|1,0,0]=3 62 B7R0.10 CC[C@H](C)[C@H](N)CO AC-8563 [1,1,0,0,0,0|1,0,0]=3 63 B7R0.1 CNCCCCNC AC-7475 [1,1,0,0,0,0|2,0,0]=4 64 B7R0.1 NCCCNCCBr AC-701 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.4 NCCCCC(=O)O AC-6337 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.4 O=C(O)CCCCBr AC-1769 [1,1,0,0,0,0|1,0,1]=4 67 B9R0.23 CCC(C)[C@@H](N)CC(=O)O AC-22075 [0,2,0,0,0,0|1,0,1]=4 68 B9R0.53 CC(C)CC(N)CC(=O)O AC-6715 [0,2,0,0,0,0|1,0,1]=4 69 B9R0.53 CC(C)C[C@H](N)CC(=O)O AC-22077 [0,2,0,0,0,0|1,0,1]=4 70 B9R0.53 CC(C)C[C@H](N)CC(=O)O AC-6714 [0,2,0,0,0,0|1,0,1]=4 71 B9R0.15 CCCC(CCC)C(=O)[O-] AC-8391 [0,2,0,0,0,0|1,1,0]=4 72 B7R1.1 ClCC1CCCO1 AC-25685 [1,0,0,1,0,0|1,1,0]=4 73 B7R1.1 OCC1CCNC1 AC-26851 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.1 OC[C@@H]1CCCN1 AC-8565 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.1 OC[C@@H]1CCNC1 AC-22425 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.1 OC[C@H]1CCCN1 AC-23551 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.1 OC[C@H]1CCNC1 AC-22424 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.2 CN1CCC(O)C1 AC-6615 [1,0,0,1,0,0|1,1,0]=4 79 B7R1.2 CN1CC[C@@H](O)C1 AC-6781 [1,0,0,1,0,0|1,1,0]=4 80 B7R1.2 CN1CC[C@H](O)C1 AC-7092 [1,0,0,1,0,0|1,1,0]=4 81 B7R1.2 NC1CCC(O)C1 AC-33552 [1,0,0,1,0,0|1,0,0]=3 82 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-30659 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-31322 [1,0,0,1,0,0|1,0,0]=3 84 B7R1.3 BrC1CCNCC1 AC-23243 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.3 CC1COCCN1 AC-9513 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.3 C[C@@H]1COCCN1 AC-22431 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.3 C[C@H]1CCCCN1 AC-15354 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.3 C[C@H]1CCCNC1 AC-15332 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.3 C[C@H]1COCCN1 AC-22432 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.3 NC1CCCNC1 AC-13109 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.3 NC1CCCNC1 AC-876 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.3 NC1CCOCC1 AC-1959 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.3 NC1CCOCC1 AC-26798 [1,0,0,1,0,0|1,0,0]=3 94 B7R1.3 NC1CCSCC1 AC-30455 [1,0,0,1,0,0|1,1,0]=4 95 B7R1.3 NN1CCCCC1 AC-5741 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.3 N[C@@H]1CCCNC1 AC-6185 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.3 N[C@@H]1CCCOC1 AC-29354 [1,0,0,1,0,0|1,0,0]=3 98 B7R1.3 N[C@H]1CCCNC1 AC-29157 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.3 N[C@H]1CCCOC1 AC-29355 [1,0,0,1,0,0|1,0,0]=3 100 B7R1.3 OC1CCCNC1 AC-2559 [1,0,0,1,0,0|1,1,0]=4 101 B7R1.3 OC1CCCNC1 AC-26297 [1,0,0,1,0,0|1,1,0]=4 102 B7R1.3 OC1CCNCC1 AC-22474 [1,0,0,1,0,0|1,1,0]=4 103 B7R1.3 O[C@@H]1CCCNC1 AC-23873 [1,0,0,1,0,0|1,1,0]=4 104 B7R1.3 O[C@H]1CCCNC1 AC-23872 [1,0,0,1,0,0|1,1,0]=4 105 B7R1.4 CC1OCCC1=O AC-8268 [1,0,0,1,0,0|0,1,1]=4 106 B7R1.4 N[C@@H]1CCC[C@H]1O AC-973 [1,0,0,1,0,0|1,0,0]=3 107 B7R1.4 N[C@H]1CCC[C@@H]1O AC-7071 [1,0,0,1,0,0|1,0,0]=3 108 B7R1.4 N[C@H]1CCC[C@H]1O AC-7072 [1,0,0,1,0,0|1,0,0]=3 109 B7R1.25 CC1(CO)COC1 AC-2106 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.24 C1CNCCNC1 AC-4548 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.2 CCN1CCCC(O)C1 AC-15325 [0,1,0,1,0,0|1,1,0]=4 112 B9R1.2 CN1CCCC(CO)C1 AC-7576 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.7 CCC[C@H]1COC(=O)C1 AC-29290 [0,1,0,1,0,0|1,0,1]=4 114 B9R1.8 OCCN1CCNCC1 AC-2946 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.12 OCCCN1CCCC1 AC-17216 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.15 CN1CCCCC1CO AC-7239 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.22 OC[C@H]1OC(O)C[C@@H]1O AC-6194 [0,1,0,1,0,0|1,1,0]=4 118 B9R1.22 OC[C@H]1O[C@H](O)C[C@@H]1O AC-19715 [0,1,0,1,0,0|1,1,0]=4 119 B9R1.33 CN1CCCC1CCN AC-6690 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.33 CN1CCCC1CCO AC-15702 [0,1,0,1,0,0|1,0,0]=3 121 B9R1.69 O[C@@H]1C[C@@H](O)[C@@H](O)CO1 AC-8169 [0,1,0,1,0,0|1,1,0]=4 122 B9R1.37 C[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O AC-6195 [0,1,0,1,0,0|1,1,0]=4 123 B9R1.13 O=C(O)CC1CCCN1 AC-28284 [0,1,0,1,0,0|1,0,1]=4 124 B9R1.13 O=C(O)C[C@@H]1CCCN1 AC-22089 [0,1,0,1,0,0|1,0,1]=4 125 B9R1.13 O=C(O)C[C@H]1CCCN1 AC-25440 [0,1,0,1,0,0|1,0,1]=4 126 B9R1.34 OC1CC(O)CC(O)C1 AC-10138 [0,1,0,1,0,0|0,1,0]=3 127 B9R1.34 O[C@H]1C[C@@H](O)C[C@@H](O)C1 AC-11888 [0,1,0,1,0,0|0,1,0]=3 128 B9R1.34 O[C@H]1C[C@H](O)C[C@@H](O)C1 AC-11889 [0,1,0,1,0,0|0,1,0]=3 129 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O AC-16273 [0,1,0,1,0,0|1,0,1]=4 130 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O AC-26770 [0,1,0,1,0,0|1,0,1]=4 131 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O AC-26767 [0,1,0,1,0,0|1,0,1]=4 132 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O AC-26768 [0,1,0,1,0,0|1,0,1]=4 133 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AC-26769 [0,1,0,1,0,0|1,0,1]=4 134 B9R1.66 CC1(C)CC(O)CCN1 AC-30469 [0,1,0,1,0,0|1,1,0]=4 135 B9R1.89 N#CC1CCCCCC1 AC-26546 [0,1,0,1,0,0|2,0,0]=4 136 B9R2.39 [C@@H]12C=C[C@@H](C1)C(O)C2 AC-8831 [0,0,0,2,0,0|1,0,1]=4 137 B9R2.3 C1CC2CNCC2C1 AC-086 [0,0,0,2,0,0|2,0,0]=4 138 B9R2.87 NC(C1CC1)C2CC2 AC-13091 [0,0,0,2,0,0|2,0,0]=4