0 B7R0.11 COC(C)(C)CCN CS-0540694 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.11 COC(C)(C)CCO CS-0132453 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.1 CNC(C)COC CS-0301311 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.1 COC(C)CCO CS-W013686 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.5 C=CC[N+](C)(C)C CS-0158034 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.5 CC(C)(C)CCBr CS-B0401 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.5 CC(C)(C)CCO CS-W013693 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.5 CC(C)(F)CCN CS-0061673 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.5 CC(C)(N)CCO CS-W004889 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.5 CC(C)(O)CC#N CS-0154614 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.5 CC(C)(O)CCBr CS-W018816 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.5 CC(C)(O)CCN CS-0043489 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.5 CCC[N+](C)(C)C CS-0152572 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.5 CNCC(C)(C)C CS-0039440 [1,0,0,0,0,0|0,0,2]=3 14 B6R0.5 CNCC(C)(C)O CS-0038213 [1,0,0,0,0,0|0,0,2]=3 15 B6R0.5 COCC(C)(C)O CS-0186349 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.5 CSCC(C)(C)N CS-0107363 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.5 C[N+](C)(C)CCBr CS-W012688 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.5 C[N+](C)(C)CCCl CS-W008900 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.5 C[N+](C)(C)CCN CS-0204825 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.5 C[N+](C)(C)CCO CS-0017216 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.5 C[N+](C)(C)CCO CS-0097842 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.5 C[N+](C)(C)CCO CS-0185855 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.5 C[N+](C)(C)CCO CS-4855 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.5 C[N+](C)(C)CCS CS-0528621 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.5 C[P+](C)(C)CC#N CS-0700502 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.5 C[Si](C)(C)CC#N CS-0120673 [1,0,0,0,0,0|2,1,0]=4 27 B6R0.5 C[Si](C)(C)CCBr CS-0239787 [1,0,0,0,0,0|2,1,0]=4 28 B6R0.5 C[Si](C)(C)CCO CS-0015144 [1,0,0,0,0,0|2,1,0]=4 29 B6R0.8 CC(C)(C#N)CO CS-W018923 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.8 CC(C)(CBr)CBr CS-W004189 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.8 CC(C)(CN)CN CS-0077143 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.8 CC(C)(CN)CO CS-W008239 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.8 CC(C)(CO)CBr CS-0043654 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.8 CC(C)(CO)CCl CS-W011189 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.8 CCC(C)(C)CN CS-0590202 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.8 CCC(C)(C)O[K] CS-0636232 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.8 CNC(C)(C)CO CS-W018699 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.8 COC(C)(C)CO CS-0146594 [1,0,0,0,0,0|1,0,0]=2 39 B8R0.34 CSC(C)(C)CC(C)=O CS-0199050 [0,1,0,0,0,0|1,1,1]=4 40 B8R1.51 CC1(C)CC(Cl)=NO1 CS-0161100 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.51 CC1(C)CC(O)CN1 CS-0050732 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.51 CC1(C)CCC(=O)C1 CS-W018408 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.72 CC1(C)CCNCC1 CS-W005691 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.72 CC1(C)CNCCN1 CS-D0739 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.72 CC1(C)CNCCO1 CS-W003622 [0,0,0,1,0,0|0,0,2]=3 46 B8R1.72 CC1(C)COCCN1 CS-0094495 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.82 CNC1(COC)CC1 CS-0144191 [0,0,0,1,0,0|2,0,1]=4 48 B5R0.1 C=CC[C@H](C)O CS-0081915 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.1 CC(C)CNN CS-0067938 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.1 CC(C)CON CS-0136014 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.1 CC(O)CC#N CS-0261013 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.1 CC(O)CCBr CS-0142519 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.1 CC(O)CCO CS-0115644 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.1 CNCC(C)O CS-0216704 [2,0,0,0,0,0|0,0,2]=4 55 B5R0.1 COC[C@H](C)O CS-0031378 [2,0,0,0,0,0|1,0,1]=4 56 B5R0.1 C[C@@H](O)CCO CS-M1638 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 C[C@H](O)CCO CS-W016671 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.2 COCCC#N CS-0030563 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.2 COCCCBr CS-W010945 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.2 COCCNN CS-0249520 [2,0,0,0,0,0|1,0,1]=4 61 B5R0.3 CC[C@@H](C)CBr CS-0539690 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.3 CC[C@H](C)CO CS-0139702 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.3 CNC(C)CO CS-0197105 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.3 CN[C@@H](C)CO CS-0139480 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.3 CN[C@@H](C)CO CS-0162089 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.3 CN[C@H](C)CO CS-0162211 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.3 COC(C)C#N CS-0372147 [2,0,0,0,0,0|0,0,2]=4 68 B5R0.3 CO[C@@H](C)CN CS-W021167 [2,0,0,0,0,0|0,0,1]=3 69 B5R0.3 CO[C@@H](C)CO CS-0096324 [2,0,0,0,0,0|1,0,0]=3 70 B5R0.3 CO[C@H](C)CN CS-0148788 [2,0,0,0,0,0|0,0,1]=3 71 B5R0.3 CO[C@H](C)CN CS-0613352 [2,0,0,0,0,0|0,0,1]=3 72 B5R0.3 CO[C@H](C)CO CS-W011349 [2,0,0,0,0,0|1,0,0]=3 73 B5R0.4 CC(C)(C)C#N CS-0017904 [2,0,0,0,0,0|0,0,2]=4 74 B5R0.4 CC(C)(C)CN CS-0996828 [2,0,0,0,0,0|0,0,1]=3 75 B5R0.4 CC(C)(C)CN CS-W019134 [2,0,0,0,0,0|0,0,1]=3 76 B5R0.4 CC(C)(C)NN CS-W004055 [2,0,0,0,0,0|1,0,1]=4 77 B5R0.4 CC(C)(C)NO CS-0130269 [2,0,0,0,0,0|1,0,1]=4 78 B5R0.4 CC(C)(C)NO CS-W022903 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.4 CC(C)(C)ON CS-W004243 [2,0,0,0,0,0|1,0,0]=3 80 B5R0.4 CC(C)(Cl)CCl CS-0186289 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.4 CC(C)(F)CBr CS-0154615 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.4 CC(C)(F)CN CS-0060975 [2,0,0,0,0,0|1,0,1]=4 83 B5R0.4 CC(C)(F)CO CS-D1107 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.4 CC(C)(N)CN CS-0058986 [2,0,0,0,0,0|1,0,1]=4 85 B5R0.4 CC(C)(N)CO CS-0129831 [2,0,0,0,0,0|2,0,0]=4 86 B5R0.4 CC(C)(N)CO CS-W013743 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.4 CC(C)(O)CBr CS-0139635 [2,0,0,0,0,0|1,0,0]=3 88 B5R0.4 CC(C)(O)CCl CS-0030576 [2,0,0,0,0,0|1,0,0]=3 89 B5R0.4 CC(C)(O)CN CS-W008799 [2,0,0,0,0,0|0,0,1]=3 90 B5R0.4 CC(C)(O)CO CS-W005057 [2,0,0,0,0,0|1,0,0]=3 91 B5R0.4 CC(C)(S)CN CS-0140693 [2,0,0,0,0,0|0,1,1]=4 92 B5R0.4 CCC(C)(C)Br CS-0204230 [2,0,0,0,0,0|1,0,1]=4 93 B5R0.4 CC[N+](C)(C)C CS-0153899 [2,0,0,0,0,0|1,0,1]=4 94 B5R0.4 C[Si](C)(C)CI CS-0067163 [2,0,0,0,0,0|1,1,0]=4 95 B5R0.4 C[Si](C)(C)O[K] CS-0006201 [2,0,0,0,0,0|1,1,0]=4 96 B7R0.12 COC(CCBr)OC CS-W023200 [1,1,0,0,0,0|2,0,0]=4 97 B7R0.12 COCC(OC)OC CS-0150200 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.8 CC(C)(C)NCCO CS-0214733 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.8 CC(C)(C)OCCO CS-0031602 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.8 CC(C)(C)SCCBr CS-0238987 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.8 CCCCC(C)(C)O CS-0181812 [1,1,0,0,0,0|1,0,1]=4 102 B7R0.9 CC(C)(C)CB(O)O CS-0063198 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.9 CC(C)(O)CC(=O)O CS-0059394 [1,1,0,0,0,0|2,0,0]=4 104 B7R0.9 CC(C)(O)CC(=O)[O-] CS-0187335 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.9 CN(C)CC(C)(C)O CS-0147115 [1,1,0,0,0,0|0,0,2]=4 106 B7R0.14 CC(C)(C)C(N)C#N CS-0213611 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.14 CC(C)(C)C(N)CO CS-0072424 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.14 CC(C)(C)C(O)C#N CS-0307922 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.14 CC(C)(O)[C@H](F)CN CS-0084788 [1,1,0,0,0,0|2,0,0]=4 110 B7R0.14 [C@@H](N)(CO)C(C)(C)C CS-W005274 [1,1,0,0,0,0|2,0,0]=4 111 B7R0.14 [C@H](N)(CO)C(C)(C)C CS-W008332 [1,1,0,0,0,0|2,0,0]=4 112 B7R0.13 COC(C)(C)C(=O)O CS-0046912 [1,1,0,0,0,0|1,0,1]=4 113 B7R0.18 COC(C)(CBr)OC CS-0112295 [1,1,0,0,0,0|1,0,0]=3 114 B7R0.18 COC(C)(CN)OC CS-0147461 [1,1,0,0,0,0|0,0,1]=3 115 B7R1.1 COC1CCNC1 CS-0039937 [1,0,0,1,0,0|0,0,2]=4 116 B7R1.1 COC1CCNC1 CS-W004880 [1,0,0,1,0,0|0,0,2]=4 117 B7R1.1 CO[C@@H]1CCNC1 CS-0053757 [1,0,0,1,0,0|0,0,2]=4 118 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [1,0,0,1,0,0|0,0,2]=4 119 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [1,0,0,1,0,0|0,0,2]=4 120 B7R1.3 CC1CCOCO1 CS-0181838 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.3 CC1CNCCO1 CS-0152670 [1,0,0,1,0,0|0,0,2]=4 122 B7R1.3 CC1CNCCO1 CS-D1584 [1,0,0,1,0,0|0,0,2]=4 123 B7R1.3 C[C@@H]1CNCCO1 CS-0019313 [1,0,0,1,0,0|0,0,2]=4 124 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [1,0,0,1,0,0|0,0,2]=4 125 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [1,0,0,1,0,0|0,0,2]=4 126 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [1,0,0,1,0,0|0,0,2]=4 127 B7R1.10 COC1CC(=O)C1 CS-0051289 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.10 COC1CC(N)C1 CS-0051290 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.10 COC1CC(O)C1 CS-0056983 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.10 CO[C@H]1C[C@H](N)C1 CS-0045545 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.25 COC1(C)CNC1 CS-0035135 [1,0,0,1,0,0|0,0,2]=4 132 B7R1.14 CC1(C)CCNC1 CS-0051614 [1,0,0,1,0,0|0,0,2]=4 133 B7R1.14 CC1(O)CCNC1 CS-W001685 [1,0,0,1,0,0|0,0,2]=4 134 B7R1.14 CC1(O)CCNC1 CS-W021967 [1,0,0,1,0,0|0,0,2]=4 135 B7R1.14 C[C@@]1(O)CCNC1 CS-0053323 [1,0,0,1,0,0|0,0,2]=4 136 B7R1.14 C[C@@]1(O)CCNC1 CS-0183805 [1,0,0,1,0,0|0,0,2]=4 137 B7R1.14 C[C@]1(O)CCNC1 CS-0053259 [1,0,0,1,0,0|0,0,2]=4 138 B7R1.16 C[C@]1(O)C[C@@H](N)C1 CS-0058646 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.26 CC(C)(O)C1CC1 CS-0258304 [1,0,0,1,0,0|1,0,1]=4 140 B7R1.29 COC1(CN)CC1 CS-0085230 [1,0,0,1,0,0|0,0,1]=3 141 B7R1.29 COC1(CO)CC1 CS-0138990 [1,0,0,1,0,0|1,0,0]=3 142 B9R1.10 CC1(C)CCC(N)CO1 CS-0343558 [0,1,0,1,0,0|1,0,1]=4 143 B9R1.10 CC1(C)OCC(=O)CO1 CS-W006362 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.10 CC1(C)OCC(N)CO1 CS-0135339 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.10 CC1(C)OCC(O)CO1 CS-0197161 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.118 COC1(C)CCNCC1 CS-W022204 [0,1,0,1,0,0|0,0,2]=4 147 B9R1.133 CC1(C)OCC(CBr)O1 CS-W018859 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.133 CC1(C)OCC(CCl)O1 CS-0134037 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.133 CC1(C)OCC(CN)O1 CS-0043805 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.133 CC1(C)OCC(CO)O1 CS-W018546 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.133 CC1(C)OC[C@@H](CN)O1 CS-W005528 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.133 CC1(C)OC[C@H](C=O)O1 CS-0009587 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.133 CC1(C)OC[C@H](CCl)O1 CS-W002598 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.133 CC1(C)OC[C@H](CI)O1 CS-0153774 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.133 CC1(C)OC[C@H](CN)O1 CS-0094691 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.133 CC1(C)OC[C@H](CO)O1 CS-W013415 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.133 [C@@H]1(CCl)COC(C)(C)O1 CS-W018133 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.133 [C@@H]1(CO)COC(C)(C)O1 CS-W008357 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.66 CC1(C)CC(=O)CCO1 CS-D0378 [0,1,0,1,0,0|1,0,1]=4 160 B9R1.66 CC1(C)CC(I)CCO1 CS-0045139 [0,1,0,1,0,0|1,0,1]=4 161 B9R1.66 CC1(C)CC(N)CCO1 CS-0279260 [0,1,0,1,0,0|1,0,1]=4 162 B9R1.66 CC1(C)CC(N)CCO1 CS-D0455 [0,1,0,1,0,0|1,0,1]=4 163 B9R1.66 CC1CNCC(C)(C)O1 CS-0251847 [0,1,0,1,0,0|0,0,2]=4 164 B9R1.134 CC1(CCN)OCCO1 CS-W013426 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.124 COC1(OC)CC(N)C1 CS-0055536 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.124 COC1(OC)CC(O)C1 CS-0148592 [0,1,0,1,0,0|2,0,0]=4 167 B9R1.204 COC1(OC)CCNC1 CS-0051625 [0,1,0,1,0,0|0,0,2]=4 168 B9R2.174 C1COC2(CC2)CN1 CS-0050790 [0,0,0,2,0,0|0,0,2]=4