0 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.1 CCOC(=O)CN CS-W020007 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 COC(=O)CCS CS-0000049 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 COC(C)CCO CS-W013686 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 CC(=O)CCO CS-0044370 [1,0,0,0,0,0|1,0,2]=4 5 B5R0.1 CC(N)CC#N CS-W020282 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CC(N)CCO CS-W004841 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.1 CCOC(C)=N CS-W008601 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CNCC(=N)O CS-W011178 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 COC[C@@H](C)O CS-0019059 [1,0,0,0,0,0|1,0,0]=2 10 B5R0.2 BrCCCCBr CS-W020631 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.2 C#CCCCCl CS-W009550 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.2 C=CCCCO CS-W011355 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.2 COCCC#N CS-0030563 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.2 ICCCCI CS-W004871 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.2 N#CCCCCl CS-D1161 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.3 CC[C@@H](N)CO CS-W020734 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.3 CC[C@H](N)CO CS-W013745 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.3 NC(CO)CO CS-W007357 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,1,0,0,0,0|0,0,3]=4 20 B7R0.2 CN(C)CC(O)CO CS-W016584 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [0,1,0,0,0,0|1,0,2]=4 22 B7R0.2 [C@H](N)(CO)CC(C)C CS-W013604 [0,1,0,0,0,0|2,0,0]=3 23 B7R0.5 CCOC(=O)C(C)Br CS-0009888 [0,1,0,0,0,0|1,0,2]=4 24 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [0,1,0,0,0,0|1,0,2]=4 25 B7R0.7 COCC(N)COC CS-W005488 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.10 CCC(Br)C(=O)OC CS-W017174 [0,1,0,0,0,0|1,0,2]=4 27 B7R0.10 CC[C@H](N)C(=O)OC CS-0031391 [0,1,0,0,0,0|1,0,2]=4 28 B7R0.12 COC(CCBr)OC CS-W023200 [0,1,0,0,0,0|2,0,0]=3 29 B7R1.1 COC1=NCCC1 CS-W022401 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.1 COC1CCNC1 CS-W004880 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.1 NCC1CCCN1 CS-0019253 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.1 NCC1CCOC1 CS-W004787 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.1 OCC1CCOC1 CS-D1159 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,0,0,1,0,0|1,0,0]=2 35 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,0,0,1,0,0|3,0,0]=4 36 B7R1.2 NC1CCC(O)C1 CS-W005211 [0,0,0,1,0,0|1,0,0]=2 37 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0058643 [0,0,0,1,0,0|1,0,0]=2 38 B7R1.3 BrC1CCCCC1 CS-W017925 [0,0,0,1,0,0|1,0,0]=2 39 B7R1.3 C=C1CCNCC1 CS-D0508 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.3 ClC1CCNCC1 CS-W006160 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.3 O=C1CCCCN1 CS-W022933 [0,0,0,1,0,0|1,0,2]=4 45 B7R1.3 O=C1CCCOC1 CS-D1576 [0,0,0,1,0,0|1,0,2]=4 46 B7R1.3 OC1CCCNC1 CS-D1393 [0,0,0,1,0,0|1,0,0]=2 47 B7R1.3 OC1CCCOC1 CS-D1560 [0,0,0,1,0,0|1,0,0]=2 48 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,0,0,1,0,0|3,0,0]=4 49 B4R0.1 CC(N)CO CS-W018531 [2,0,0,0,0,0|2,0,0]=4 50 B4R0.1 CC(O)CBr CS-0063182 [2,0,0,0,0,0|1,0,0]=3 51 B4R0.1 CCC(=N)O CS-W016688 [2,0,0,0,0,0|1,0,1]=4 52 B4R0.1 CC[C@H](C)N CS-0084847 [2,0,0,0,0,0|1,0,0]=3 53 B4R0.2 BrCCCBr CS-W020641 [2,0,0,0,0,0|2,0,0]=4 54 B4R0.2 NCCCBr CS-W008585 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.2 NCCCCl CS-0015792 [2,0,0,0,0,0|2,0,0]=4 56 B4R0.2 NCCCO CS-W020089 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [1,1,0,0,0,0|1,0,1]=4 58 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [1,1,0,0,0,0|1,0,1]=4 59 B6R0.3 COC(=O)[C@@H](C)O CS-W016638 [1,1,0,0,0,0|1,0,1]=4 60 B6R0.3 COC(=O)[C@H](C)O CS-WAA0219 [1,1,0,0,0,0|1,0,1]=4 61 B6R0.4 CC(=O)CCCCl CS-W013569 [1,1,0,0,0,0|0,0,2]=4 62 B6R0.4 CC(C)OCCBr CS-W018660 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.4 CN(C)CCCCl CS-W019575 [1,1,0,0,0,0|2,0,0]=4 64 B6R0.4 CNCCC(C)C CS-0039334 [1,1,0,0,0,0|1,0,0]=3 65 B6R0.4 COCCC(=O)O CS-W009112 [1,1,0,0,0,0|1,0,1]=4 66 B6R0.6 C#CCCCCO CS-W016659 [1,1,0,0,0,0|0,0,2]=4 67 B6R0.6 C=CCCCCBr CS-W008939 [1,1,0,0,0,0|0,0,2]=4 68 B6R0.6 ClCCCCCBr CS-W016940 [1,1,0,0,0,0|1,0,0]=3 69 B6R0.6 ClCCNCCCl CS-W020124 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.6 FCCCCCBr CS-W005161 [1,1,0,0,0,0|1,0,0]=3 71 B6R0.6 ICCCCCI CS-0041009 [1,1,0,0,0,0|1,0,0]=3 72 B6R0.6 NCCNCCO CS-W011299 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.6 OCCOCCCl CS-0016058 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.9 CCN(C=O)CC CS-W009551 [1,1,0,0,0,0|1,0,1]=4 75 B6R0.9 COC(CBr)OC CS-W018536 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.23 CC(C)C[C@@H](O)C(=O)O CS-0000170 [0,2,0,0,0,0|1,0,1]=4 77 B8R0.24 C[N+](C)(C)CC(O)CCl CS-0010102 [0,2,0,0,0,0|2,0,0]=4 78 B8R0.1 CCOC(=O)CCCBr CS-W020133 [0,2,0,0,0,0|0,0,2]=4 79 B8R0.11 CCCCC(CC)CBr CS-W004392 [0,2,0,0,0,0|1,0,0]=3 80 B8R0.11 CCCCC(CC)CO CS-0016002 [0,2,0,0,0,0|0,0,0]=2 81 B8R0.11 COC(CCCCl)OC CS-W008139 [0,2,0,0,0,0|1,0,0]=3 82 B6R1.2 BrC1CCNC1 CS-W005728 [1,0,0,1,0,0|2,0,0]=4 83 B6R1.2 CC1CCNC1 CS-W021968 [1,0,0,1,0,0|2,0,0]=4 84 B6R1.2 NC1CCOC1 CS-D1564 [1,0,0,1,0,0|2,0,0]=4 85 B6R1.2 O[C@H]1CCNC1 CS-W008801 [1,0,0,1,0,0|1,0,0]=3 86 B6R1.3 NCCC1CC1 CS-W006511 [1,0,0,1,0,0|2,0,0]=4 87 B6R1.3 OCCC1CC1 CS-W016679 [1,0,0,1,0,0|2,0,0]=4 88 B6R1.5 N[C@H]1C[C@H](O)C1 CS-W023030 [1,0,0,1,0,0|1,0,0]=3 89 B6R1.10 CC1(N)COC1 CS-W008280 [1,0,0,1,0,0|2,0,0]=4 90 B6R1.10 CC1(O)CNC1 CS-0007720 [1,0,0,1,0,0|1,0,0]=3 91 B6R1.11 O=C(O)C1CC1 CS-W018339 [1,0,0,1,0,0|1,0,1]=4 92 B6R1.1 C1CCNNC1 CS-0038680 [1,0,0,1,0,0|2,0,0]=4 93 B6R1.1 C1CSCCN1 CS-W007359 [1,0,0,1,0,0|2,0,0]=4 94 B6R1.6 BrCC1CCC1 CS-0015296 [1,0,0,1,0,0|1,0,0]=3 95 B6R1.6 BrCC1COC1 CS-W018850 [1,0,0,1,0,0|2,0,0]=4 96 B6R1.6 CNC1CNC1 CS-0043910 [1,0,0,1,0,0|2,0,0]=4 97 B6R1.6 CNC1COC1 CS-0040193 [1,0,0,1,0,0|2,0,0]=4 98 B6R1.6 OCC1CNC1 CS-D1756 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 CS-0043961 [0,1,0,1,0,0|1,0,0]=3 100 B8R1.4 CC1CCCC(N)C1 CS-D0430 [0,1,0,1,0,0|1,0,0]=3 101 B8R1.4 [C@H]1(C)CNC[C@@H](C)N1 CS-W013630 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.2 N#CC1CCCCC1 CS-W019522 [0,1,0,1,0,0|1,0,0]=3 103 B8R1.2 N#CC1CCNCC1 CS-0019876 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.2 N#CC1CCOCC1 CS-W019661 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.2 NCC1CNCCO1 CS-0046184 [0,1,0,1,0,0|1,0,0]=3 106 B8R1.2 NOC1CCCCO1 CS-W007325 [0,1,0,1,0,0|1,0,0]=3 107 B8R1.2 OCC1CNCCO1 CS-W022892 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.2 [C@H]1(CO)COCCN1 CS-W006711 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.3 CN1CCC(Cl)CC1 CS-W013387 [0,1,0,1,0,0|1,0,0]=3 110 B8R1.3 CN1CCC(N)CC1 CS-W016605 [0,1,0,1,0,0|1,0,0]=3 111 B8R1.3 C[C@H]1CN[C@H](C)CN1 CS-B1271 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,1,0,1,0,0|0,0,2]=4 113 B8R1.3 N[C@H]1CC[C@@H](O)CC1 CS-W019682 [0,1,0,1,0,0|0,0,0]=2 114 B8R1.3 N[C@H]1CC[C@H](O)CC1 CS-W023031 [0,1,0,1,0,0|0,0,0]=2 115 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,1,0,1,0,0|1,0,1]=4 116 B8R1.3 OC1CSC(O)CS1 CS-W018087 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.3 [C@H]1(O)CC[C@H](O)CC1 CS-W005575 [0,1,0,1,0,0|0,0,0]=2 118 B8R1.5 CC1CCCCC1=O CS-W011265 [0,1,0,1,0,0|0,0,2]=4 119 B8R1.5 CC1CNCCN1C CS-W005051 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.5 N[C@@H]1CCCC[C@H]1N CS-0019667 [0,1,0,1,0,0|1,0,0]=3 121 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-W019691 [0,1,0,1,0,0|0,0,0]=2 122 B8R1.5 [C@@H]1(N)CCCC[C@H]1O CS-W005443 [0,1,0,1,0,0|0,0,0]=2 123 B8R1.22 CC1CCNCCN1 CS-W022406 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [0,1,0,1,0,0|1,0,1]=4 125 B8R1.7 CC(O)C1CCNC1 CS-0033515 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.8 BrCCC1OCCO1 CS-W019935 [0,1,0,1,0,0|1,0,0]=3 127 B8R1.8 COC[C@H]1CCCN1 CS-W002305 [0,1,0,1,0,0|1,0,0]=3 128 B8R1.8 NCCN1CCCC1 CS-D1372 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.11 CCN1CCCC1=O CS-W013650 [0,1,0,1,0,0|0,0,2]=4 130 B8R1.82 N#CCC1(CO)CC1 CS-0044943 [0,1,0,1,0,0|1,0,1]=4 131 B8R2.34 C1O[C@@H]2CN[C@H]1C2 CS-W019161 [0,0,0,2,0,0|1,0,0]=3