0 B4R0.2 C#CCCN CS-0059198 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.2 CC#CCO CS-B1382 [0,0,0,0,0,0|0,0,4]=4 2 B4R0.2 CNCC#N CS-W002073 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.2 CNCCBr CS-0042068 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.2 CSCCN CS-0063136 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.2 N#CCCN CS-D1507 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.2 NCCON CS-M2746 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.2 NNCCO CS-W007663 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.2 NOCCO CS-W011361 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.2 OCCCBr CS-W007337 [0,0,0,0,0,0|1,0,2]=3 10 B4R0.2 OCCCO CS-W018490 [0,0,0,0,0,0|1,0,2]=3 11 B3R0.1 CCON CS-0017502 [1,0,0,0,0,0|2,0,0]=3 12 B3R0.1 CNOC CS-D1361 [1,0,0,0,0,0|2,0,1]=4 13 B3R0.1 NCCBr CS-W008659 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 CC#CC(=O)O CS-W007936 [0,1,0,0,0,0|0,0,2]=3 15 B5R0.1 CC(=O)CC#N CS-W020196 [0,1,0,0,0,0|1,0,1]=3 16 B5R0.1 CC(=O)CCCl CS-W022162 [0,1,0,0,0,0|1,0,0]=2 17 B5R0.1 CCCB(O)O CS-W007470 [0,1,0,0,0,0|1,0,1]=3 18 B5R0.1 CCOC(=N)N CS-W019160 [0,1,0,0,0,0|2,0,0]=3 19 B5R0.1 CCOC(=S)[S-] CS-W020193 [0,1,0,0,0,0|1,1,0]=3 20 B5R0.1 CN(C)NC=O CS-M2144 [0,1,0,0,0,0|2,0,0]=3 21 B5R0.1 CNCC(=O)O CS-W013507 [0,1,0,0,0,0|1,0,0]=2 22 B5R0.1 COCC(=O)O CS-W020123 [0,1,0,0,0,0|1,0,0]=2 23 B5R0.1 COC[C@H](C)O CS-0031378 [0,1,0,0,0,0|2,0,0]=3 24 B5R0.1 C[C@@H](N)CCO CS-W013746 [0,1,0,0,0,0|0,0,2]=3 25 B5R0.1 N=C(O)CCN CS-W007497 [0,1,0,0,0,0|1,0,1]=3 26 B5R0.1 O=C(O)\C=C\Br CS-0063842 [0,1,0,0,0,0|1,0,2]=4 27 B5R0.2 BrC\C=C\CBr CS-0017873 [0,1,0,0,0,0|2,0,1]=4 28 B5R0.2 C#CCCCO CS-W011358 [0,1,0,0,0,0|1,0,1]=3 29 B5R0.2 C=CCCCBr CS-W018483 [0,1,0,0,0,0|1,0,0]=2 30 B5R0.2 CNCCNC CS-0020009 [0,1,0,0,0,0|2,0,0]=3 31 B5R0.2 COCCCBr CS-W010945 [0,1,0,0,0,0|1,0,1]=3 32 B5R0.2 COCCCO CS-W020636 [0,1,0,0,0,0|0,0,2]=3 33 B5R0.2 ClCCCCI CS-W019348 [0,1,0,0,0,0|1,0,1]=3 34 B5R0.2 NCCCCBr CS-W005399 [0,1,0,0,0,0|1,0,1]=3 35 B5R0.2 NCCCCF CS-0098954 [0,1,0,0,0,0|1,0,1]=3 36 B5R0.3 CC(CO)CO CS-0021060 [0,1,0,0,0,0|1,0,2]=4 37 B5R0.3 CCC(=N)NO CS-D0340 [0,1,0,0,0,0|1,0,2]=4 38 B5R0.3 CCC(Br)CC CS-0015742 [0,1,0,0,0,0|1,0,1]=3 39 B5R0.3 CC[C@H](O)CO CS-0031373 [0,1,0,0,0,0|0,0,2]=3 40 B5R0.3 COC(C)CO CS-W011348 [0,1,0,0,0,0|1,0,2]=4 41 B5R0.3 NCC(O)CN CS-W007600 [0,1,0,0,0,0|2,0,1]=4 42 B5R0.3 NC[C@H](O)CCl CS-W021152 [0,1,0,0,0,0|2,0,1]=4 43 B5R0.3 OC[C@@H](O)CCl CS-W018500 [0,1,0,0,0,0|1,0,2]=4 44 B5R0.3 [C@H](O)(CN)CO CS-W017771 [0,1,0,0,0,0|1,0,2]=4 45 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [0,1,0,0,0,0|1,0,2]=4 46 B5R1.1 C1CSCN1 CS-M1684 [0,0,0,1,0,0|1,1,1]=4 47 B5R1.2 BrC1COC1 CS-D1251 [0,0,0,1,0,0|2,0,1]=4 48 B5R1.2 FC1CNC1 CS-W001606 [0,0,0,1,0,0|2,0,1]=4 49 B5R1.2 IC1COC1 CS-W017022 [0,0,0,1,0,0|2,0,1]=4 50 B5R1.2 NC1CCC1 CS-0006655 [0,0,0,1,0,0|1,0,1]=3 51 B5R1.2 NC1COC1 CS-D0204 [0,0,0,1,0,0|2,0,1]=4 52 B5R1.2 NC1COC1 CS-W018946 [0,0,0,1,0,0|2,0,1]=4 53 B5R1.2 O=C1CNC1 CS-W019264 [0,0,0,1,0,0|1,0,0]=2 54 B5R1.2 O=C1COC1 CS-M1912 [0,0,0,1,0,0|1,0,0]=2 55 B5R1.2 O=C1CSC1 CS-B0978 [0,0,0,1,0,0|1,0,0]=2 56 B5R1.2 OC1CCC1 CS-W013758 [0,0,0,1,0,0|0,0,2]=3 57 B5R1.2 OC1COC1 CS-W007362 [0,0,0,1,0,0|1,0,2]=4 58 B5R1.3 BrCC1CC1 CS-W020194 [0,0,0,1,0,0|1,0,1]=3 59 B5R1.3 CNC1CC1 CS-W019814 [0,0,0,1,0,0|2,0,0]=3 60 B5R1.3 ClC[C@H]1CO1 CS-0005957 [0,0,0,1,0,0|1,0,2]=4 61 B5R1.3 [C@@H]1(CO)CO1 CS-W013757 [0,0,0,1,0,0|1,0,2]=4 62 B2R0.1 CNO CS-W007348 [2,0,0,0,0,0|1,0,1]=4 63 B2R0.1 CSC CS-0015151 [2,0,0,0,0,0|1,0,0]=3 64 B2R0.1 N=CN CS-W007673 [2,0,0,0,0,0|2,0,0]=4 65 B4R0.1 C#C[C@@H](C)O CS-0094046 [1,1,0,0,0,0|0,0,2]=4 66 B4R0.1 CC(=O)CN CS-W004850 [1,1,0,0,0,0|1,0,0]=3 67 B4R0.1 CC(=O)CO CS-0017823 [1,1,0,0,0,0|1,0,0]=3 68 B4R0.1 CC(C)ON CS-W008733 [1,1,0,0,0,0|2,0,0]=4 69 B4R0.1 CC(N)CF CS-0107816 [1,1,0,0,0,0|1,0,0]=3 70 B4R0.1 CCC(=N)N CS-W019290 [1,1,0,0,0,0|1,0,0]=3 71 B4R0.1 CCS(=O)[O-] CS-0020098 [1,1,0,0,0,0|1,0,0]=3 72 B4R0.1 C[C@@H](O)CO CS-W020032 [1,1,0,0,0,0|0,0,1]=3 73 B4R0.1 C[C@H](N)CO CS-B1303 [1,1,0,0,0,0|0,0,1]=3 74 B4R0.1 C[C@H](O)CN CS-W019029 [1,1,0,0,0,0|1,0,0]=3 75 B4R0.1 C[C@H](O)CO CS-0011520 [1,1,0,0,0,0|0,0,1]=3 76 B4R0.1 N=C(O)CBr CS-W007330 [1,1,0,0,0,0|1,0,1]=4 77 B4R0.1 N=C(O)CO CS-W016686 [1,1,0,0,0,0|1,0,1]=4 78 B4R0.1 [C@@H](C)(N)CN CS-W008537 [1,1,0,0,0,0|1,0,0]=3 79 B4R0.1 [C@H](C)(O)CCl CS-W005784 [1,1,0,0,0,0|1,0,0]=3 80 B6R0.1 CC#CC(=O)OC CS-0066219 [0,2,0,0,0,0|0,0,2]=4 81 B6R0.1 CCCC(Cl)CC CS-0102884 [0,2,0,0,0,0|1,0,1]=4 82 B6R0.1 CCC[C@H](N)CO CS-M1841 [0,2,0,0,0,0|0,0,2]=4 83 B6R0.1 CCOC(=O)C#N CS-0022374 [0,2,0,0,0,0|1,0,0]=3 84 B6R0.1 CCOC(=O)CO CS-W019892 [0,2,0,0,0,0|1,0,0]=3 85 B6R0.1 CCO\C(O)=N\N CS-W008412 [0,2,0,0,0,0|1,0,1]=4 86 B6R0.1 CNC(=O)CC#N CS-W018827 [0,2,0,0,0,0|1,0,1]=4 87 B6R0.1 COC(=O)CCBr CS-W008728 [0,2,0,0,0,0|1,0,0]=3 88 B6R0.1 N#CC[C@H](O)CCl CS-0096879 [0,2,0,0,0,0|1,0,1]=4 89 B6R0.1 OCCC(O)CO CS-0008443 [0,2,0,0,0,0|0,0,2]=4 90 B6R0.2 CC(=O)NC(C)C CS-M3536 [0,2,0,0,0,0|1,0,0]=3 91 B6R0.2 CC(=O)\C=C(\C)N CS-0095595 [0,2,0,0,0,0|0,0,2]=4 92 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [0,2,0,0,0,0|0,0,2]=4 93 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085625 [0,2,0,0,0,0|0,0,2]=4 94 B6R0.2 CC(O)CC(=O)[O-] CS-W011168 [0,2,0,0,0,0|0,0,0]=2 95 B6R0.2 CN(C)CC(N)=S CS-W021439 [0,2,0,0,0,0|1,1,0]=4 96 B6R0.2 C[C@H](O)C[C@H](C)O CS-0085738 [0,2,0,0,0,0|0,0,2]=4 97 B6R0.2 NC(=O)CC(N)=O CS-W011312 [0,2,0,0,0,0|1,0,1]=4 98 B6R0.2 [C@H](C)(O)CC(=O)[O-] CS-W016567 [0,2,0,0,0,0|0,0,0]=2 99 B6R0.3 C=CC(C)C(=O)O CS-0006592 [0,2,0,0,0,0|0,0,2]=4 100 B6R0.3 CC(C)[C@@H](N)CO CS-D0610 [0,2,0,0,0,0|0,0,2]=4 101 B6R0.3 CCC(N)C(=O)O CS-W011306 [0,2,0,0,0,0|0,0,0]=2 102 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [0,2,0,0,0,0|0,0,0]=2 103 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [0,2,0,0,0,0|0,0,0]=2 104 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [0,2,0,0,0,0|1,0,0]=3 105 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [0,2,0,0,0,0|1,0,0]=3 106 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [0,2,0,0,0,0|1,0,0]=3 107 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [0,2,0,0,0,0|1,0,0]=3 108 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [0,2,0,0,0,0|1,0,0]=3 109 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [0,2,0,0,0,0|1,0,0]=3 110 B6R0.3 [C@H](C)(O)[C@H](N)CO CS-W013681 [0,2,0,0,0,0|0,0,2]=4 111 B6R0.3 [C@H](N)(CO)C(=N)O CS-W008254 [0,2,0,0,0,0|1,0,1]=4 112 B6R0.4 C#CCCC(=O)O CS-W008784 [0,2,0,0,0,0|0,0,1]=3 113 B6R0.4 C=CCCC(=O)O CS-W009138 [0,2,0,0,0,0|0,0,1]=3 114 B6R0.4 CC(=O)NCCN CS-W013694 [0,2,0,0,0,0|1,0,0]=3 115 B6R0.4 CC(=O)NCCO CS-W013689 [0,2,0,0,0,0|1,0,0]=3 116 B6R0.4 CC(C)CCCO CS-W007511 [0,2,0,0,0,0|0,0,2]=4 117 B6R0.4 CCOCC(=O)O CS-0071579 [0,2,0,0,0,0|0,0,0]=2 118 B6R0.4 CNCCC(C)C CS-W018343 [0,2,0,0,0,0|1,0,1]=4 119 B6R0.4 CNCCN(C)C CS-W022914 [0,2,0,0,0,0|2,0,0]=4 120 B6R0.4 CO\C=C\C(C)=O CS-W013712 [0,2,0,0,0,0|0,0,2]=4 121 B6R0.4 N#CCCC(=O)O CS-W018565 [0,2,0,0,0,0|0,0,1]=3 122 B6R0.4 O=C(O)CCCBr CS-W016047 [0,2,0,0,0,0|0,0,0]=2 123 B6R0.5 CC(C)(C)CCBr CS-B0401 [0,2,0,0,0,0|1,0,1]=4 124 B6R0.5 CC(C)(C)CCN CS-0036014 [0,2,0,0,0,0|1,0,1]=4 125 B6R0.5 CC(C)(O)CCN CS-0043489 [0,2,0,0,0,0|1,0,1]=4 126 B6R0.5 CS(=O)(=O)CCBr CS-0084612 [0,2,0,0,0,0|2,0,0]=4 127 B6R0.6 BrCCCCCBr CS-W019956 [0,2,0,0,0,0|1,0,1]=4 128 B6R0.6 BrCCOCCBr CS-W014174 [0,2,0,0,0,0|1,0,1]=4 129 B6R0.6 C=CCCCCO CS-W013711 [0,2,0,0,0,0|1,0,0]=3 130 B6R0.6 N#CCCCCBr CS-D1429 [0,2,0,0,0,0|1,0,1]=4 131 B6R0.6 N#CCCCCCl CS-W022361 [0,2,0,0,0,0|1,0,1]=4 132 B6R0.6 OCCCCCO CS-W020635 [0,2,0,0,0,0|0,0,2]=4 133 B6R0.9 CCC(CC)NC CS-W000153 [0,2,0,0,0,0|1,0,1]=4 134 B4R1.1 C1CNC1 CS-W011344 [1,0,0,1,0,0|1,0,0]=3 135 B6R1.2 NC1CC=CC1 CS-W022621 [0,1,0,1,0,0|1,0,0]=3 136 B6R1.2 NC1CCNC1 CS-W016190 [0,1,0,1,0,0|1,0,1]=4 137 B6R1.2 O=C1C=CCC1 CS-W011359 [0,1,0,1,0,0|0,0,1]=3 138 B6R1.2 O=C1C=CCO1 CS-W008270 [0,1,0,1,0,0|0,0,2]=4 139 B6R1.2 O=C1CCOC1 CS-D1574 [0,1,0,1,0,0|0,0,0]=2 140 B6R1.2 O=C1NCCS1 CS-W023026 [0,1,0,1,0,0|1,0,0]=3 141 B6R1.2 OC1CCNC1 CS-W022946 [0,1,0,1,0,0|0,0,2]=4 142 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [0,1,0,1,0,0|0,0,2]=4 143 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [0,1,0,1,0,0|0,0,2]=4 144 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,1,0,1,0,0|0,0,2]=4 145 B6R1.2 O[C@H]1CCNC1 CS-M0906 [0,1,0,1,0,0|0,0,2]=4 146 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [0,1,0,1,0,0|1,0,1]=4 147 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [0,1,0,1,0,0|1,0,1]=4 148 B6R1.3 CNCC1CC1 CS-0045377 [0,1,0,1,0,0|1,0,1]=4 149 B6R1.3 N#CCC1CC1 CS-0051913 [0,1,0,1,0,0|1,0,1]=4 150 B6R1.3 O=CNC1CC1 CS-M1370 [0,1,0,1,0,0|0,0,0]=2 151 B6R1.3 OCCN1CC1 CS-W023058 [0,1,0,1,0,0|0,0,2]=4 152 B6R1.3 OCC[C@H]1CO1 CS-0081472 [0,1,0,1,0,0|0,0,2]=4 153 B6R1.5 CN1CC(O)C1 CS-0041554 [0,1,0,1,0,0|2,0,0]=4 154 B6R1.5 NC1CC(=O)C1 CS-W005321 [0,1,0,1,0,0|0,0,0]=2 155 B6R1.11 C[C@@H](N)C1CC1 CS-0034128 [0,1,0,1,0,0|1,0,1]=4 156 B6R1.11 C[C@H](N)C1CC1 CS-0036411 [0,1,0,1,0,0|1,0,1]=4 157 B6R1.11 O=S([O-])C1CC1 CS-W023133 [0,1,0,1,0,0|1,0,0]=3 158 B6R1.11 OB(O)C1CC1 CS-D1018 [0,1,0,1,0,0|1,0,1]=4 159 B6R1.1 C1=CCNCC1 CS-W021272 [0,1,0,1,0,0|1,0,0]=3 160 B6R1.1 C1CCNCC1 CS-W004746 [0,1,0,1,0,0|1,0,1]=4 161 B6R1.6 COC1CNC1 CS-W008894 [0,1,0,1,0,0|2,0,0]=4 162 B6R1.6 NCC1CNC1 CS-W022574 [0,1,0,1,0,0|1,0,1]=4 163 B6R1.6 NCC1COC1 CS-W008698 [0,1,0,1,0,0|1,0,1]=4 164 B6R1.6 OCC1CCO1 CS-W019194 [0,1,0,1,0,0|0,0,2]=4 165 B6R1.6 OCC1COC1 CS-W004925 [0,1,0,1,0,0|0,0,2]=4 166 B6R1.7 C#CC1(N)CC1 CS-B0936 [0,1,0,1,0,0|1,0,1]=4 167 B6R1.7 N#CC1(N)CC1 CS-D0921 [0,1,0,1,0,0|1,0,1]=4 168 B6R1.7 NC1(CO)CC1 CS-D0148 [0,1,0,1,0,0|0,0,2]=4