0 B5R0.2 CNCCC#N AC-77234 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.2 NCCCCBr AC-81002 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.2 CNCC#N AC-61557 [1,0,0,0,0,0|1,0,2]=4 3 B4R0.2 CSCCN AC-56055 [1,0,0,0,0,0|0,0,0]=1 4 B6R0.1 CCCC(=O)NN AC-19259 [0,1,0,0,0,0|2,0,1]=4 5 B6R0.1 CCOC(=O)CN AC-65788 [0,1,0,0,0,0|2,0,1]=4 6 B6R0.1 COC(=O)CCS AC-74164 [0,1,0,0,0,0|1,1,1]=4 7 B6R0.1 COCC(=O)NN AC-48684 [0,1,0,0,0,0|1,1,1]=4 8 B6R0.1 N#CC[C@H](O)CCl AC-11571 [0,1,0,0,0,0|3,0,0]=4 9 B6R0.4 CC(=O)CCCBr AC-77239 [0,1,0,0,0,0|2,0,0]=3 10 B6R0.4 CC(=O)CCCCl AC-35279 [0,1,0,0,0,0|2,0,0]=3 11 B6R0.4 CCCCB(O)O AC-11281 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.4 CN(C)CCCCl AC-23395 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.4 CNCCC(C)=O AC-83135 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.4 NCCCC(=O)O AC-22540 [0,1,0,0,0,0|2,0,0]=3 15 B6R0.4 O=C(O)CCCBr AC-34557 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.6 BrCCCCCBr AC-23026 [0,1,0,0,0,0|2,0,0]=3 17 B6R1.1 C1CSCCN1 AC-86787 [0,0,0,1,0,0|2,0,0]=3 18 B6R1.2 BrC1=CCCC1 AC-37861 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.2 BrC1CCNC1 AC-83481 [0,0,0,1,0,0|2,0,0]=3 20 B6R1.2 CC1=NCCC1 AC-76756 [0,0,0,1,0,0|1,0,1]=3 21 B6R1.2 CC1=NCCO1 AC-82993 [0,0,0,1,0,0|2,0,1]=4 22 B6R1.2 CC1CC=NN1 AC-87752 [0,0,0,1,0,0|2,0,1]=4 23 B6R1.2 CC1CCCN1 AC-44592 [0,0,0,1,0,0|1,0,0]=2 24 B6R1.2 CC1CCNC1 AC-41388 [0,0,0,1,0,0|2,0,0]=3 25 B6R1.2 C[C@@H]1CCCN1 AC-64584 [0,0,0,1,0,0|1,0,0]=2 26 B6R1.2 C[C@@H]1CCCN1 AC-75579 [0,0,0,1,0,0|1,0,0]=2 27 B6R1.2 C[C@H]1CCCN1 AC-64583 [0,0,0,1,0,0|1,0,0]=2 28 B6R1.2 FC1CCNC1 AC-80571 [0,0,0,1,0,0|2,0,0]=3 29 B6R1.2 F[C@H]1CCNC1 AC-23662 [0,0,0,1,0,0|2,0,0]=3 30 B6R1.2 IC1CCOC1 AC-43302 [0,0,0,1,0,0|1,1,0]=3 31 B6R1.2 N=C1CCCN1 AC-43001 [0,0,0,1,0,0|2,0,0]=3 32 B6R1.2 NC1=NCCC1 AC-76909 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.2 NC1CC=CC1 AC-79830 [0,0,0,1,0,0|1,0,1]=3 34 B6R1.2 NC1CCOC1 AC-32068 [0,0,0,1,0,0|0,1,0]=2 35 B6R1.2 NC1CCOC1 AC-77272 [0,0,0,1,0,0|0,1,0]=2 36 B6R1.2 NN1CCCC1 AC-16612 [0,0,0,1,0,0|2,0,0]=3 37 B6R1.2 NN1CCCC1 AC-32619 [0,0,0,1,0,0|2,0,0]=3 38 B6R1.2 N[C@H]1CCNC1 AC-11448 [0,0,0,1,0,0|1,0,0]=2 39 B6R1.2 N[C@H]1CCOC1 AC-39277 [0,0,0,1,0,0|0,1,0]=2 40 B6R1.2 O=C1CCNC1 AC-22267 [0,0,0,1,0,0|2,0,1]=4 41 B6R1.2 O=C1CCOC1 AC-39237 [0,0,0,1,0,0|1,1,1]=4 42 B6R1.2 O=C1CNCN1 AC-81166 [0,0,0,1,0,0|3,0,0]=4 43 B6R1.2 O=C1NCCN1 AC-81031 [0,0,0,1,0,0|3,0,0]=4 44 B6R1.2 O=C1NCCS1 AC-76781 [0,0,0,1,0,0|3,0,0]=4 45 B6R1.2 OC1CCOC1 AC-17899 [0,0,0,1,0,0|1,1,0]=3 46 B6R1.2 O[C@@H]1CCNC1 AC-10540 [0,0,0,1,0,0|2,0,0]=3 47 B6R1.2 O[C@@H]1CCNC1 AC-75583 [0,0,0,1,0,0|2,0,0]=3 48 B6R1.2 O[C@H]1CCNC1 AC-10541 [0,0,0,1,0,0|2,0,0]=3 49 B6R1.2 O[C@H]1CCOC1 AC-65385 [0,0,0,1,0,0|1,1,0]=3 50 B6R1.3 BrCCC1CC1 AC-71739 [0,0,0,1,0,0|2,0,0]=3 51 B6R1.3 CNCC1CC1 AC-44560 [0,0,0,1,0,0|2,0,0]=3 52 B6R1.3 ICCC1CC1 AC-87442 [0,0,0,1,0,0|2,0,0]=3 53 B6R1.3 NNCC1CC1 AC-75755 [0,0,0,1,0,0|2,0,0]=3 54 B6R1.6 COC1CNC1 AC-70583 [0,0,0,1,0,0|2,1,0]=4 55 B6R1.6 NCC1CCN1 AC-59672 [0,0,0,1,0,0|2,0,0]=3 56 B6R1.6 NCC1COC1 AC-40088 [0,0,0,1,0,0|0,1,0]=2 57 B6R1.6 NNC1COC1 AC-87054 [0,0,0,1,0,0|1,1,0]=3 58 B6R1.6 O=CC1COC1 AC-87999 [0,0,0,1,0,0|1,1,1]=4 59 B6R1.6 OCC1CCO1 AC-27493 [0,0,0,1,0,0|3,0,0]=4 60 B6R1.6 OCC1CNC1 AC-39034 [0,0,0,1,0,0|2,0,0]=3 61 B3R0.1 N#CCN AC-22471 [2,0,0,0,0,0|1,0,1]=4 62 B5R0.1 C[C@@H](N)CCO AC-68296 [1,1,0,0,0,0|0,1,0]=3 63 B5R0.3 CCC(N)CO AC-76788 [1,1,0,0,0,0|1,0,0]=3 64 B5R0.3 NCC(O)CO AC-15144 [1,1,0,0,0,0|0,1,0]=3 65 B5R0.3 NC[C@@H](O)CO AC-12808 [1,1,0,0,0,0|0,1,0]=3 66 B5R0.3 NC[C@H](O)CO AC-74173 [1,1,0,0,0,0|0,1,0]=3 67 B5R0.3 OC[C@@H](O)CCl AC-11570 [1,1,0,0,0,0|1,1,0]=4 68 B7R0.2 CC(C)C[C@@H](N)CO AC-43834 [0,2,0,0,0,0|2,0,0]=4 69 B7R0.2 CN(C)CC(O)CO AC-28373 [0,2,0,0,0,0|2,0,0]=4 70 B7R0.2 COC(=O)C[C@H](C)N AC-85773 [0,2,0,0,0,0|0,1,1]=4 71 B7R0.2 NCC(O)CC(=O)O AC-58569 [0,2,0,0,0,0|2,0,0]=4 72 B7R0.2 NC[C@H](O)CC(=O)O AC-19148 [0,2,0,0,0,0|2,0,0]=4 73 B7R0.3 COC(=O)CCCN AC-34788 [0,2,0,0,0,0|0,1,0]=3 74 B7R0.5 NCCC(N)C(=O)O AC-27327 [0,2,0,0,0,0|2,0,0]=4 75 B7R0.5 NCC[C@H](O)C(=O)O AC-10736 [0,2,0,0,0,0|2,0,0]=4 76 B7R0.7 CCOC(=O)CCN AC-28868 [0,2,0,0,0,0|0,1,1]=4 77 B7R0.7 COCC(N)COC AC-32105 [0,2,0,0,0,0|1,1,0]=4 78 B7R0.10 CCC(C)C(N)CO AC-57968 [0,2,0,0,0,0|2,0,0]=4 79 B7R0.10 COC(=O)[C@@H](N)CN AC-60857 [0,2,0,0,0,0|0,1,1]=4 80 B7R0.4 CC(=O)CCCCBr AC-77132 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.4 CCCCCB(O)O AC-77216 [0,2,0,0,0,0|2,0,0]=4 82 B7R0.4 CNCCCC(=O)O AC-81313 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.1 OCCCCCCCl AC-74167 [0,2,0,0,0,0|2,0,0]=4 84 B5R1.1 C1=CCNC1 AC-93805 [1,0,0,1,0,0|0,0,2]=4 85 B5R1.2 BrC1CNC1 AC-70718 [1,0,0,1,0,0|2,0,0]=4 86 B5R1.2 CC1CNC1 AC-70645 [1,0,0,1,0,0|1,0,0]=3 87 B5R1.2 ClC1CNC1 AC-70638 [1,0,0,1,0,0|2,0,0]=4 88 B5R1.2 FC1CNC1 AC-39080 [1,0,0,1,0,0|2,0,0]=4 89 B5R1.2 NC1CCC1 AC-60987 [1,0,0,1,0,0|0,0,0]=2 90 B5R1.2 NC1CNC1 AC-39028 [1,0,0,1,0,0|1,0,0]=3 91 B5R1.2 NC1CNC1 AC-70603 [1,0,0,1,0,0|1,0,0]=3 92 B5R1.2 O=C1CSC1 AC-80488 [1,0,0,1,0,0|1,0,1]=4 93 B5R1.3 BrCC1CC1 AC-14412 [1,0,0,1,0,0|1,0,0]=3 94 B5R1.3 CNC1CC1 AC-37971 [1,0,0,1,0,0|1,0,0]=3 95 B5R1.3 ClCC1CC1 AC-37554 [1,0,0,1,0,0|1,0,0]=3 96 B5R1.3 N#CC1CC1 AC-10485 [1,0,0,1,0,0|0,0,2]=4 97 B5R1.3 NNC1CC1 AC-75900 [1,0,0,1,0,0|1,0,0]=3 98 B5R1.3 NNC1CC1 AC-75901 [1,0,0,1,0,0|1,0,0]=3 99 B5R1.3 NNC1CC1 AC-89330 [1,0,0,1,0,0|1,0,0]=3 100 B7R1.1 CNC1CCOC1 AC-87875 [0,1,0,1,0,0|0,1,0]=3 101 B7R1.1 CN[C@H]1CCNC1 AC-64587 [0,1,0,1,0,0|1,0,0]=3 102 B7R1.1 CO[C@@H]1CCNC1 AC-80487 [0,1,0,1,0,0|0,1,0]=3 103 B7R1.1 CO[C@H]1CCNC1 AC-80708 [0,1,0,1,0,0|0,1,0]=3 104 B7R1.1 N#CC1CCOC1 AC-44958 [0,1,0,1,0,0|0,1,1]=4 105 B7R1.1 NCC1CCCC1 AC-27260 [0,1,0,1,0,0|1,0,0]=3 106 B7R1.1 NCC1CCCC1 AC-37884 [0,1,0,1,0,0|1,0,0]=3 107 B7R1.1 NCC1CCNC1 AC-63684 [0,1,0,1,0,0|1,0,0]=3 108 B7R1.1 NNC1CCCC1 AC-27275 [0,1,0,1,0,0|1,0,0]=3 109 B7R1.1 NNC1CCCC1 AC-75898 [0,1,0,1,0,0|1,0,0]=3 110 B7R1.1 NNC1CCNC1 AC-75769 [0,1,0,1,0,0|1,0,0]=3 111 B7R1.1 NNC1CCOC1 AC-92184 [0,1,0,1,0,0|0,1,0]=3 112 B7R1.1 NNC1CCOC1 AC-95290 [0,1,0,1,0,0|0,1,0]=3 113 B7R1.1 OCC1CCCN1 AC-57969 [0,1,0,1,0,0|1,0,0]=3 114 B7R1.1 OCC1CCNC1 AC-42224 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.1 OCC1COCO1 AC-89617 [0,1,0,1,0,0|1,1,0]=4 116 B7R1.1 OC[C@@H]1CCCN1 AC-11523 [0,1,0,1,0,0|1,0,0]=3 117 B7R1.1 OC[C@H]1CCCN1 AC-11286 [0,1,0,1,0,0|1,0,0]=3 118 B7R1.2 CC1CNC(=O)C1 AC-86644 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.2 CN1CCC(N)C1 AC-41458 [0,1,0,1,0,0|1,0,0]=3 120 B7R1.2 CN1CCC(O)C1 AC-44686 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.2 CN1CC[C@H](O)C1 AC-45770 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.2 NC1CCC(=O)C1 AC-82061 [0,1,0,1,0,0|1,0,0]=3 123 B7R1.2 NC1CCC(=O)C1 AC-84406 [0,1,0,1,0,0|1,0,0]=3 124 B7R1.2 NC1CNC(=O)C1 AC-91662 [0,1,0,1,0,0|1,0,1]=4 125 B7R1.2 NC1CNC(=O)C1 AC-92213 [0,1,0,1,0,0|1,0,1]=4 126 B7R1.2 NN1CCC(O)C1 AC-85305 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-79678 [0,1,0,1,0,0|1,0,0]=3 128 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-81200 [0,1,0,1,0,0|1,0,0]=3 129 B7R1.2 O=C1CC(O)CN1 AC-45367 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.2 O=C1C[C@H](O)CN1 AC-16846 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.3 BrC1CCCCC1 AC-77401 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.3 BrC1CCNCC1 AC-25463 [0,1,0,1,0,0|1,0,0]=3 133 B7R1.3 CC1CNCCN1 AC-31498 [0,1,0,1,0,0|1,0,0]=3 134 B7R1.3 CC1CNCCO1 AC-39793 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.3 C[C@@H]1CCCCN1 AC-72494 [0,1,0,1,0,0|1,0,0]=3 136 B7R1.3 C[C@H]1CNCCN1 AC-10557 [0,1,0,1,0,0|1,0,0]=3 137 B7R1.3 C[C@H]1CNCCO1 AC-79261 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.3 C[C@H]1COCCN1 AC-39938 [0,1,0,1,0,0|1,0,0]=3 139 B7R1.3 ClC1CCOCC1 AC-93376 [0,1,0,1,0,0|1,1,0]=4 140 B7R1.3 FC1CCCNC1 AC-23654 [0,1,0,1,0,0|1,0,0]=3 141 B7R1.3 FC1CCNCC1 AC-23653 [0,1,0,1,0,0|1,0,0]=3 142 B7R1.3 F[C@@H]1CCCNC1 AC-82716 [0,1,0,1,0,0|1,0,0]=3 143 B7R1.3 F[C@H]1CCCNC1 AC-82770 [0,1,0,1,0,0|1,0,0]=3 144 B7R1.3 NC1CCCNC1 AC-13466 [0,1,0,1,0,0|1,0,0]=3 145 B7R1.3 NN1CCCCC1 AC-22789 [0,1,0,1,0,0|1,0,0]=3 146 B7R1.3 O=C1CCNCC1 AC-76761 [0,1,0,1,0,0|1,0,1]=4 147 B7R1.3 OC1CCCNC1 AC-13470 [0,1,0,1,0,0|1,0,0]=3 148 B7R1.3 OC1CCCOC1 AC-43113 [0,1,0,1,0,0|1,1,0]=4 149 B7R1.3 OC1CCNCC1 AC-11055 [0,1,0,1,0,0|1,0,0]=3 150 B7R1.3 OC1CCOCC1 AC-40767 [0,1,0,1,0,0|1,1,0]=4 151 B7R1.3 OC1CCSCC1 AC-55374 [0,1,0,1,0,0|1,0,0]=3 152 B7R1.3 O[C@H]1CCCNC1 AC-10547 [0,1,0,1,0,0|1,0,0]=3 153 B7R1.4 CC1CCNC1=O AC-80276 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.4 NC1CCCC1N AC-92921 [0,1,0,1,0,0|1,0,0]=3 155 B7R1.4 NC1CCCC1O AC-74003 [0,1,0,1,0,0|1,0,0]=3 156 B7R1.4 NC1CCCC1O AC-94382 [0,1,0,1,0,0|1,0,0]=3 157 B7R1.4 NC1CCNC1=O AC-56337 [0,1,0,1,0,0|1,0,1]=4 158 B7R1.4 NC1CCNC1=O AC-84054 [0,1,0,1,0,0|1,0,1]=4 159 B7R1.4 N[C@@H]1CCC[C@@H]1O AC-60181 [0,1,0,1,0,0|1,0,0]=3 160 B7R1.4 N[C@@H]1CCC[C@H]1O AC-80948 [0,1,0,1,0,0|1,0,0]=3 161 B7R1.4 N[C@@H]1CCNC1=O AC-41460 [0,1,0,1,0,0|1,0,1]=4 162 B7R1.4 N[C@H]1CCC[C@@H]1O AC-38019 [0,1,0,1,0,0|1,0,0]=3 163 B7R1.4 N[C@H]1CCC[C@H]1O AC-60111 [0,1,0,1,0,0|1,0,0]=3 164 B7R1.4 N[C@H]1CCOC1=O AC-59650 [0,1,0,1,0,0|0,1,1]=4 165 B7R1.4 N[C@H]1CCSC1=O AC-80263 [0,1,0,1,0,0|0,0,1]=3 166 B7R1.4 N[C@H]1COC[C@@H]1O AC-85740 [0,1,0,1,0,0|0,1,0]=3 167 B7R1.4 O=C1NCCC1Br AC-76660 [0,1,0,1,0,0|2,0,0]=4 168 B7R1.4 O=C1NCC[C@@H]1O AC-67994 [0,1,0,1,0,0|2,0,0]=4 169 B7R1.4 O=C1NCC[C@H]1O AC-75580 [0,1,0,1,0,0|2,0,0]=4 170 B7R1.4 O[C@H]1CNC[C@@H]1O AC-63687 [0,1,0,1,0,0|2,0,0]=4 171 B7R1.6 CCOC1CNC1 AC-89124 [0,1,0,1,0,0|2,0,0]=4 172 B7R1.6 CNCC1CNC1 AC-91756 [0,1,0,1,0,0|1,0,0]=3 173 B7R1.6 NCCC1CCC1 AC-87674 [0,1,0,1,0,0|1,0,0]=3 174 B7R1.6 NCCN1CCC1 AC-94695 [0,1,0,1,0,0|1,0,0]=3 175 B7R1.6 OCCC1CCC1 AC-84374 [0,1,0,1,0,0|2,0,0]=4 176 B7R1.10 O=C1CC(CBr)C1 AC-82042 [0,1,0,1,0,0|2,0,0]=4 177 B7R1.10 O=C1CC(CO)C1 AC-81896 [0,1,0,1,0,0|2,0,0]=4 178 B7R1.10 OCC1CC(Cl)C1 AC-84181 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.25 CC1(CBr)COC1 AC-70504 [0,1,0,1,0,0|1,1,0]=4 180 B7R1.25 CC1(CN)CCC1 AC-81364 [0,1,0,1,0,0|1,0,0]=3 181 B7R1.25 CC1(CO)COC1 AC-20171 [0,1,0,1,0,0|1,1,0]=4 182 B7R1.25 CCC1(O)CNC1 AC-39077 [0,1,0,1,0,0|2,0,0]=4 183 B7R1.25 NC1(CO)CCC1 AC-94564 [0,1,0,1,0,0|2,0,0]=4 184 B7R1.25 NCC1(N)CCC1 AC-96587 [0,1,0,1,0,0|1,0,0]=3 185 B7R1.25 NCC1(O)CCC1 AC-81048 [0,1,0,1,0,0|1,0,0]=3 186 B7R1.25 NCC1(O)COC1 AC-93856 [0,1,0,1,0,0|0,1,0]=3 187 B7R1.25 OCC1(F)COC1 AC-70531 [0,1,0,1,0,0|1,1,0]=4 188 B7R1.7 OCCCC1CC1 AC-95188 [0,1,0,1,0,0|2,0,0]=4 189 B7R1.12 CC1CC1C(N)=O AC-91394 [0,1,0,1,0,0|1,0,1]=4 190 B7R1.14 CC1(C)CCCN1 AC-46446 [0,1,0,1,0,0|1,0,0]=3 191 B7R1.14 CC1(C)CCNC1 AC-91844 [0,1,0,1,0,0|2,0,0]=4 192 B7R1.14 CC1(C)NCCS1 AC-14096 [0,1,0,1,0,0|2,0,0]=4 193 B7R1.14 CC1(O)CCCC1 AC-37946 [0,1,0,1,0,0|2,0,0]=4 194 B7R1.14 CC1(O)CCNC1 AC-89720 [0,1,0,1,0,0|2,0,0]=4 195 B7R1.14 FC1(F)CCNC1 AC-18259 [0,1,0,1,0,0|2,0,0]=4 196 B7R1.18 CC(O)C1CCC1 AC-80542 [0,1,0,1,0,0|2,0,0]=4 197 B7R1.18 N=C(N)C1CCC1 AC-71670 [0,1,0,1,0,0|1,0,1]=4 198 B7R1.18 NC(=O)C1CCC1 AC-71954 [0,1,0,1,0,0|1,0,1]=4 199 B7R1.18 NC(=O)C1CCN1 AC-59671 [0,1,0,1,0,0|2,0,0]=4 200 B7R1.18 O=C(O)[C@@H]1CCN1 AC-16024 [0,1,0,1,0,0|2,0,0]=4 201 B7R1.18 O=C(O)[C@H]1CCN1 AC-20594 [0,1,0,1,0,0|2,0,0]=4 202 B7R1.20 N=C(N)CC1CC1 AC-95253 [0,1,0,1,0,0|1,0,1]=4 203 B7R2.13 C1NCC2CC12 AC-70909 [0,0,0,2,0,0|1,0,0]=3 204 B7R2.13 C1OCC2OC12 AC-18679 [0,0,0,2,0,0|1,1,0]=4 205 B7R2.3 BrC1CC12CC2 AC-84808 [0,0,0,2,0,0|2,0,0]=4 206 B7R2.3 NC1CC12CC2 AC-93996 [0,0,0,2,0,0|1,0,0]=3