0 B5R0.2 C#CCCCO CS-W011358 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 C=CCCCBr CS-W018483 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.2 CNCCNC CS-0020009 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.2 COCCCBr CS-W010945 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.2 COCCCO CS-W020636 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.2 ClCCCCI CS-W019348 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 NCCCCBr CS-W005399 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.2 NCCCCF CS-0098954 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.2 C#CCCN CS-0059198 [1,0,0,0,0,0|1,0,2]=4 9 B4R0.2 CC#CCO CS-B1382 [1,0,0,0,0,0|0,0,3]=4 10 B4R0.2 CNCC#N CS-W002073 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.2 CNCCBr CS-0042068 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.2 CSCCN CS-0063136 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.2 N#CCCN CS-D1507 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.2 NCCON CS-M2746 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.2 NNCCO CS-W007663 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.2 NOCCO CS-W011361 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.2 OCCCBr CS-W007337 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.2 OCCCO CS-W018490 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.1 CCCC(Cl)CC CS-0102884 [0,1,0,0,0,0|1,0,1]=3 20 B6R0.1 CCC[C@H](N)CO CS-M1841 [0,1,0,0,0,0|0,0,2]=3 21 B6R0.1 N#CC[C@H](O)CCl CS-0096879 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.1 OCCC(O)CO CS-0008443 [0,1,0,0,0,0|1,0,2]=4 23 B6R0.4 C#CCCC(=O)O CS-W008784 [0,1,0,0,0,0|0,0,2]=3 24 B6R0.4 C=CCCC(=O)O CS-W009138 [0,1,0,0,0,0|0,0,2]=3 25 B6R0.4 CC(=O)NCCN CS-W013694 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.4 CC(=O)NCCO CS-W013689 [0,1,0,0,0,0|2,0,0]=3 27 B6R0.4 CC(C)CCCO CS-W007511 [0,1,0,0,0,0|0,0,2]=3 28 B6R0.4 CCOCC(=O)O CS-0071579 [0,1,0,0,0,0|1,0,0]=2 29 B6R0.4 CNCCC(C)C CS-W018343 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.4 CNCCN(C)C CS-W022914 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.4 CO\C=C\C(C)=O CS-W013712 [0,1,0,0,0,0|1,0,2]=4 32 B6R0.4 N#CCCC(=O)O CS-W018565 [0,1,0,0,0,0|1,0,1]=3 33 B6R0.4 O=C(O)CCCBr CS-W016047 [0,1,0,0,0,0|1,0,0]=2 34 B6R0.6 BrCCCCCBr CS-W019956 [0,1,0,0,0,0|1,0,1]=3 35 B6R0.6 BrCCOCCBr CS-W014174 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.6 C=CCCCCO CS-W013711 [0,1,0,0,0,0|1,0,0]=2 37 B6R0.6 N#CCCCCBr CS-D1429 [0,1,0,0,0,0|1,0,1]=3 38 B6R0.6 N#CCCCCCl CS-W022361 [0,1,0,0,0,0|1,0,1]=3 39 B6R0.6 OCCCCCO CS-W020635 [0,1,0,0,0,0|0,0,2]=3 40 B6R1.1 C1=CCNCC1 CS-W021272 [0,0,0,1,0,0|2,0,0]=3 41 B6R1.1 C1CCNCC1 CS-W004746 [0,0,0,1,0,0|1,0,1]=3 42 B6R1.2 NC1CC=CC1 CS-W022621 [0,0,0,1,0,0|2,0,1]=4 43 B6R1.2 NC1CCNC1 CS-W016190 [0,0,0,1,0,0|2,0,1]=4 44 B6R1.2 O=C1C=CCC1 CS-W011359 [0,0,0,1,0,0|0,0,2]=3 45 B6R1.2 O=C1C=CCO1 CS-W008270 [0,0,0,1,0,0|1,0,2]=4 46 B6R1.2 O=C1CCOC1 CS-D1574 [0,0,0,1,0,0|1,0,0]=2 47 B6R1.2 O=C1NCCS1 CS-W023026 [0,0,0,1,0,0|2,0,0]=3 48 B6R1.2 OC1CCNC1 CS-W022946 [0,0,0,1,0,0|1,0,2]=4 49 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [0,0,0,1,0,0|1,0,2]=4 50 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [0,0,0,1,0,0|1,0,2]=4 51 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,0,0,1,0,0|1,0,2]=4 52 B6R1.2 O[C@H]1CCNC1 CS-M0906 [0,0,0,1,0,0|1,0,2]=4 53 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [0,0,0,1,0,0|2,0,0]=3 54 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [0,0,0,1,0,0|2,0,1]=4 55 B6R1.3 CNCC1CC1 CS-0045377 [0,0,0,1,0,0|2,0,0]=3 56 B6R1.3 N#CCC1CC1 CS-0051913 [0,0,0,1,0,0|1,0,1]=3 57 B6R1.3 O=CNC1CC1 CS-M1370 [0,0,0,1,0,0|1,0,0]=2 58 B6R1.3 OCCN1CC1 CS-W023058 [0,0,0,1,0,0|1,0,2]=4 59 B6R1.3 OCC[C@H]1CO1 CS-0081472 [0,0,0,1,0,0|1,0,2]=4 60 B6R1.6 COC1CNC1 CS-W008894 [0,0,0,1,0,0|3,0,0]=4 61 B6R1.6 NCC1CNC1 CS-W022574 [0,0,0,1,0,0|2,0,1]=4 62 B6R1.6 NCC1COC1 CS-W008698 [0,0,0,1,0,0|2,0,1]=4 63 B6R1.6 OCC1CCO1 CS-W019194 [0,0,0,1,0,0|1,0,2]=4 64 B6R1.6 OCC1COC1 CS-W004925 [0,0,0,1,0,0|1,0,2]=4 65 B3R0.1 CCON CS-0017502 [2,0,0,0,0,0|2,0,0]=4 66 B3R0.1 CNOC CS-D1361 [2,0,0,0,0,0|2,0,0]=4 67 B3R0.1 NCCBr CS-W008659 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.1 CC#CC(=O)O CS-W007936 [1,1,0,0,0,0|0,0,2]=4 69 B5R0.1 CC(=O)CC#N CS-W020196 [1,1,0,0,0,0|1,0,1]=4 70 B5R0.1 CC(=O)CCCl CS-W022162 [1,1,0,0,0,0|1,0,0]=3 71 B5R0.1 CCCB(O)O CS-W007470 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.1 CCOC(=N)N CS-W019160 [1,1,0,0,0,0|2,0,0]=4 73 B5R0.1 CCOC(=S)[S-] CS-W020193 [1,1,0,0,0,0|1,1,0]=4 74 B5R0.1 CN(C)NC=O CS-M2144 [1,1,0,0,0,0|2,0,0]=4 75 B5R0.1 CNCC(=O)O CS-W013507 [1,1,0,0,0,0|1,0,0]=3 76 B5R0.1 COCC(=O)O CS-W020123 [1,1,0,0,0,0|1,0,0]=3 77 B5R0.1 COC[C@H](C)O CS-0031378 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.1 C[C@@H](N)CCO CS-W013746 [1,1,0,0,0,0|0,0,1]=3 79 B5R0.1 N=C(O)CCN CS-W007497 [1,1,0,0,0,0|1,0,1]=4 80 B5R0.3 CC(CO)CO CS-0021060 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.3 CCC(Br)CC CS-0015742 [1,1,0,0,0,0|0,0,1]=3 82 B5R0.3 CC[C@H](O)CO CS-0031373 [1,1,0,0,0,0|0,0,1]=3 83 B5R0.3 COC(C)CO CS-W011348 [1,1,0,0,0,0|1,0,1]=4 84 B5R0.3 NCC(O)CN CS-W007600 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.3 NC[C@H](O)CCl CS-W021152 [1,1,0,0,0,0|2,0,0]=4 86 B5R0.3 OC[C@@H](O)CCl CS-W018500 [1,1,0,0,0,0|1,0,1]=4 87 B5R0.3 [C@H](O)(CN)CO CS-W017771 [1,1,0,0,0,0|1,0,1]=4 88 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [1,1,0,0,0,0|1,0,1]=4 89 B7R0.2 COC(=O)CC(=O)O CS-W007829 [0,2,0,0,0,0|1,0,1]=4 90 B7R0.2 COC(=O)CC(=O)[O-] CS-M3561 [0,2,0,0,0,0|1,0,1]=4 91 B7R0.2 NC[C@@H](O)CC(=O)O CS-W023137 [0,2,0,0,0,0|1,0,0]=3 92 B7R0.2 [C@@H](N)(CO)CC(C)C CS-W016592 [0,2,0,0,0,0|0,0,2]=4 93 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [0,2,0,0,0,0|1,0,0]=3 94 B7R0.3 COC(=O)CCCBr CS-W004701 [0,2,0,0,0,0|1,0,0]=3 95 B7R0.3 COC(=O)CCCCl CS-0001466 [0,2,0,0,0,0|1,0,0]=3 96 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [0,2,0,0,0,0|1,0,1]=4 97 B7R0.5 COC[C@@H](N)C(=O)O CS-0031341 [0,2,0,0,0,0|1,0,0]=3 98 B7R0.5 NCCC(N)C(=O)O CS-W010735 [0,2,0,0,0,0|1,0,0]=3 99 B7R0.5 N[C@H](CCS)C(=O)O CS-M1780 [0,2,0,0,0,0|1,0,0]=3 100 B7R0.5 [C@H](N)(CCN)C(=O)O CS-W010734 [0,2,0,0,0,0|1,0,0]=3 101 B7R0.10 [C@H](C)(CC)[C@H](N)CO CS-W016591 [0,2,0,0,0,0|0,0,2]=4 102 B7R0.4 C#CCCCC(=O)O CS-W009272 [0,2,0,0,0,0|0,0,1]=3 103 B7R0.4 C#CCOCC(=O)O CS-0070099 [0,2,0,0,0,0|0,0,2]=4 104 B7R0.4 CC(=O)OCCCCl CS-W017752 [0,2,0,0,0,0|1,0,0]=3 105 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [0,2,0,0,0,0|0,0,2]=4 106 B7R0.4 COC\C=C\C(=O)O CS-0100437 [0,2,0,0,0,0|0,0,2]=4 107 B7R0.4 O=C(O)CCCCBr CS-W017172 [0,2,0,0,0,0|0,0,0]=2 108 B7R0.4 O=C(O)CCCCCl CS-W022362 [0,2,0,0,0,0|0,0,0]=2 109 B7R0.4 O=C([O-])CCCCO CS-0047732 [0,2,0,0,0,0|0,0,0]=2 110 B7R0.6 CC(=O)NNC(C)C CS-M2559 [0,2,0,0,0,0|2,0,0]=4 111 B7R0.6 O=C([O-])CSC(F)F CS-B0604 [0,2,0,0,0,0|2,0,0]=4 112 B7R0.8 CCCNS(N)(=O)=O CS-0008706 [0,2,0,0,0,0|2,0,0]=4 113 B7R0.8 CCCNS(N)(=O)=O CS-0012532 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.8 CCCNS(N)(=O)=O CS-M1494 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.8 CS(=O)(=O)CCCO CS-W004952 [0,2,0,0,0,0|2,0,0]=4 116 B7R0.1 C=CCCCCCBr CS-W009270 [0,2,0,0,0,0|1,0,0]=3 117 B7R0.1 ClCCCCCCBr CS-W010503 [0,2,0,0,0,0|1,0,1]=4 118 B7R0.1 NCCCNCCBr CS-W022895 [0,2,0,0,0,0|1,0,1]=4 119 B5R1.1 C1CSCN1 CS-M1684 [1,0,0,1,0,0|1,1,0]=4 120 B5R1.2 BrC1COC1 CS-D1251 [1,0,0,1,0,0|2,0,0]=4 121 B5R1.2 FC1CNC1 CS-W001606 [1,0,0,1,0,0|2,0,0]=4 122 B5R1.2 IC1COC1 CS-W017022 [1,0,0,1,0,0|2,0,0]=4 123 B5R1.2 NC1CCC1 CS-0006655 [1,0,0,1,0,0|1,0,0]=3 124 B5R1.2 NC1COC1 CS-D0204 [1,0,0,1,0,0|2,0,0]=4 125 B5R1.2 NC1COC1 CS-W018946 [1,0,0,1,0,0|2,0,0]=4 126 B5R1.2 O=C1CNC1 CS-W019264 [1,0,0,1,0,0|1,0,0]=3 127 B5R1.2 O=C1COC1 CS-M1912 [1,0,0,1,0,0|1,0,0]=3 128 B5R1.2 O=C1CSC1 CS-B0978 [1,0,0,1,0,0|1,0,0]=3 129 B5R1.2 OC1CCC1 CS-W013758 [1,0,0,1,0,0|0,0,1]=3 130 B5R1.2 OC1COC1 CS-W007362 [1,0,0,1,0,0|1,0,1]=4 131 B5R1.3 BrCC1CC1 CS-W020194 [1,0,0,1,0,0|1,0,0]=3 132 B5R1.3 CNC1CC1 CS-W019814 [1,0,0,1,0,0|1,0,1]=4 133 B5R1.3 ClC[C@H]1CO1 CS-0005957 [1,0,0,1,0,0|1,0,1]=4 134 B5R1.3 [C@@H]1(CO)CO1 CS-W013757 [1,0,0,1,0,0|1,0,1]=4 135 B7R1.1 BrCC1CCCC1 CS-W004985 [0,1,0,1,0,0|1,0,1]=4 136 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [0,1,0,1,0,0|0,0,2]=4 139 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [0,1,0,1,0,0|0,0,2]=4 140 B7R1.1 [C@@H]1(CN)CCCO1 CS-W011316 [0,1,0,1,0,0|0,0,2]=4 141 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [0,1,0,1,0,0|0,0,2]=4 142 B7R1.2 CN1CCC(O)C1 CS-M2838 [0,1,0,1,0,0|2,0,0]=4 143 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [0,1,0,1,0,0|1,0,0]=3 144 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,1,0,1,0,0|1,0,0]=3 145 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,1,0,1,0,0|1,0,0]=3 146 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,1,0,1,0,0|0,0,1]=3 147 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,1,0,1,0,0|1,0,0]=3 148 B7R1.3 BrC1CCNCC1 CS-W014130 [0,1,0,1,0,0|1,0,1]=4 149 B7R1.3 CC1CNCCO1 CS-D1584 [0,1,0,1,0,0|0,0,2]=4 150 B7R1.3 CC1COCCN1 CS-W009058 [0,1,0,1,0,0|1,0,1]=4 151 B7R1.3 CC1SCCCS1 CS-0094743 [0,1,0,1,0,0|0,1,1]=4 152 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,1,0,1,0,0|1,0,1]=4 153 B7R1.3 ClC1CCOCC1 CS-W016579 [0,1,0,1,0,0|0,0,2]=4 154 B7R1.3 NC1CCCOC1 CS-0044162 [0,1,0,1,0,0|0,0,2]=4 155 B7R1.3 NC1CCOCC1 CS-B0654 [0,1,0,1,0,0|0,0,2]=4 156 B7R1.3 NC1CCOCC1 CS-W002372 [0,1,0,1,0,0|0,0,2]=4 157 B7R1.3 NN1CCCCC1 CS-W007639 [0,1,0,1,0,0|1,0,1]=4 158 B7R1.3 N[C@H]1CCCNC1 CS-W020063 [0,1,0,1,0,0|1,0,1]=4 159 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,1,0,1,0,0|0,0,2]=4 160 B7R1.3 O=C1CCNCC1 CS-W018762 [0,1,0,1,0,0|0,0,0]=2 161 B7R1.3 O=C1CCNCC1 CS-W020094 [0,1,0,1,0,0|0,0,0]=2 162 B7R1.3 O=C1COCCN1 CS-D1427 [0,1,0,1,0,0|1,0,0]=3 163 B7R1.3 O=C1COCCO1 CS-0031423 [0,1,0,1,0,0|1,0,0]=3 164 B7R1.3 O=C1CSCCN1 CS-W019146 [0,1,0,1,0,0|1,0,0]=3 165 B7R1.3 OC1CCCNC1 CS-W013706 [0,1,0,1,0,0|0,0,2]=4 166 B7R1.3 OC1CCNCC1 CS-W004328 [0,1,0,1,0,0|0,0,2]=4 167 B7R1.3 OC1CCSCC1 CS-D1275 [0,1,0,1,0,0|0,0,2]=4 168 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,1,0,1,0,0|0,0,2]=4 169 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,1,0,1,0,0|1,0,1]=4 170 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,1,0,1,0,0|0,0,2]=4 171 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [0,1,0,1,0,0|0,0,2]=4 172 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,1,0,1,0,0|1,0,0]=3 173 B7R1.4 O=C1CCC=C1O CS-W019237 [0,1,0,1,0,0|0,0,2]=4 174 B7R1.4 O=C1NCCC1O CS-W005201 [0,1,0,1,0,0|1,0,0]=3 175 B7R1.4 O=C1OCCC1O CS-W013699 [0,1,0,1,0,0|1,0,0]=3 176 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [0,1,0,1,0,0|0,0,2]=4 177 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS-M3337 [0,1,0,1,0,0|1,0,0]=3 178 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-W000621 [0,1,0,1,0,0|1,0,0]=3 179 B7R1.14 CC1(O)CCNC1 CS-W021967 [0,1,0,1,0,0|2,0,0]=4 180 B7R1.14 O=S1(=O)CCCO1 CS-W011195 [0,1,0,1,0,0|2,0,0]=4 181 B7R1.18 NC(=O)C1CCC1 CS-D0904 [0,1,0,1,0,0|0,0,0]=2 182 B7R1.18 O=C(O)C1CCC1 CS-W011325 [0,1,0,1,0,0|0,0,0]=2 183 B7R1.24 C1CNCCNC1 CS-W007768 [0,1,0,1,0,0|1,0,1]=4 184 B7R2.13 C1NCC2CC12 CS-W005878 [0,0,0,2,0,0|1,0,1]=4