0 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 COC(C)CCO CS-W013686 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 CC(=O)CCO CS-0044370 [1,0,0,0,0,0|1,0,1]=3 4 B5R0.1 CC(N)CC#N CS-W020282 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.1 CC(N)CCO CS-W004841 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 CCOC(C)=N CS-W008601 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 COC[C@@H](C)O CS-0019059 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.2 BrCCCCBr CS-W020631 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.2 C#CCCCCl CS-W009550 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.2 C=CCCCO CS-W011355 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.2 COCCC#N CS-0030563 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.2 ICCCCI CS-W004871 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 N#CCCCCl CS-D1161 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.3 C=C[C@H](N)CO CS-0088065 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.3 CC[C@@H](N)CO CS-W020734 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.3 CC[C@H](N)CO CS-W013745 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.2 [C@H](N)(CO)CC(C)C CS-W013604 [0,1,0,0,0,0|1,0,2]=4 18 B7R0.5 C#CC[C@H](N)C(=O)O CS-0101207 [0,1,0,0,0,0|1,0,2]=4 19 B7R0.5 CCOC(=O)C(N)=O CS-0008213 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.5 NC(CCO)C(=O)O CS-W013586 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.5 [C@H](N)(CC=C)C(=O)O CS-W013622 [0,1,0,0,0,0|1,0,2]=4 22 B7R0.12 COC(CCBr)OC CS-W023200 [0,1,0,0,0,0|3,0,0]=4 23 B7R1.1 COC1CCNC1 CS-W004880 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.1 NCC1CCCN1 CS-0019253 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.1 NCC1CCOC1 CS-W004787 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.1 OCC1CCOC1 CS-D1159 [0,0,0,1,0,0|1,0,2]=4 27 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,0,0,1,0,0|1,0,2]=4 28 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,0,0,1,0,0|1,0,2]=4 29 B7R1.3 BrC1CCCCC1 CS-W017925 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.3 OC1CCCNC1 CS-D1393 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.3 OC1CCCOC1 CS-D1560 [0,0,0,1,0,0|1,0,2]=4 35 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.4 NC1CCNC1=O CS-0113495 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.4 NN1CCCC1=O CS-D0019 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [0,0,0,1,0,0|2,0,0]=3 40 B4R0.1 CC(N)CO CS-W018531 [2,0,0,0,0,0|2,0,0]=4 41 B4R0.1 CC(O)CBr CS-0063182 [2,0,0,0,0,0|1,0,1]=4 42 B4R0.1 CC[C@H](C)N CS-0084847 [2,0,0,0,0,0|1,0,0]=3 43 B4R0.2 BrCCCBr CS-W020641 [2,0,0,0,0,0|2,0,0]=4 44 B4R0.2 NCCCBr CS-W008585 [2,0,0,0,0,0|2,0,0]=4 45 B4R0.2 NCCCCl CS-0015792 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.2 NCCCO CS-W020089 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [1,1,0,0,0,0|1,0,1]=4 48 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [1,1,0,0,0,0|1,0,1]=4 49 B6R0.4 CC(=O)CCCCl CS-W013569 [1,1,0,0,0,0|0,0,1]=3 50 B6R0.4 CC(=O)OCCBr CS-W007598 [1,1,0,0,0,0|1,0,1]=4 51 B6R0.4 CC(C)OCCBr CS-W018660 [1,1,0,0,0,0|1,0,1]=4 52 B6R0.4 CCCOC(N)=O CS-W019060 [1,1,0,0,0,0|1,0,1]=4 53 B6R0.4 CN(C)CCCCl CS-W019575 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.4 CNCCC(C)C CS-0039334 [1,1,0,0,0,0|0,0,1]=3 55 B6R0.4 COCCC(=O)O CS-W009112 [1,1,0,0,0,0|1,0,1]=4 56 B6R0.6 C#CCCCCO CS-W016659 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.6 C=CCCCCBr CS-W008939 [1,1,0,0,0,0|1,0,0]=3 58 B6R0.6 ClCCCCCBr CS-W016940 [1,1,0,0,0,0|1,0,1]=4 59 B6R0.6 FCCCCCBr CS-W005161 [1,1,0,0,0,0|1,0,1]=4 60 B6R0.6 ICCCCCI CS-0041009 [1,1,0,0,0,0|1,0,1]=4 61 B6R0.9 CCN(C=O)CC CS-W009551 [1,1,0,0,0,0|1,0,0]=3 62 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O CS-0043555 [0,2,0,0,0,0|2,0,0]=4 63 B8R0.23 CC(=O)N[C@H](C)C(=O)O CS-W013429 [0,2,0,0,0,0|1,0,1]=4 64 B8R0.23 CC(C)CC(Br)C(=O)O CS-W021616 [0,2,0,0,0,0|1,0,0]=3 65 B8R0.23 CC(C)C[C@@H](O)C(=O)O CS-0000170 [0,2,0,0,0,0|1,0,0]=3 66 B8R0.23 CC(CN(C)C)[N+](=O)[O-] CS-M0740 [0,2,0,0,0,0|2,0,0]=4 67 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [0,2,0,0,0,0|1,0,0]=3 68 B8R0.11 CCCCC(CC)CBr CS-W004392 [0,2,0,0,0,0|1,0,1]=4 69 B8R0.11 CCCCC(CC)CO CS-0016002 [0,2,0,0,0,0|0,0,2]=4 70 B8R0.11 COC(CCCCl)OC CS-W008139 [0,2,0,0,0,0|2,0,0]=4 71 B6R1.2 BrC1CCNC1 CS-W005728 [1,0,0,1,0,0|2,0,0]=4 72 B6R1.2 CC1CCNC1 CS-W021968 [1,0,0,1,0,0|1,0,1]=4 73 B6R1.2 NC1CCOC1 CS-D1564 [1,0,0,1,0,0|2,0,0]=4 74 B6R1.2 O=C1CCSC1 CS-W011310 [1,0,0,1,0,0|1,0,1]=4 75 B6R1.2 O[C@H]1CCNC1 CS-W008801 [1,0,0,1,0,0|1,0,1]=4 76 B6R1.3 NCCC1CC1 CS-W006511 [1,0,0,1,0,0|1,0,1]=4 77 B6R1.3 OCCC1CC1 CS-W016679 [1,0,0,1,0,0|1,0,1]=4 78 B6R1.5 N[C@H]1C[C@H](O)C1 CS-W023030 [1,0,0,1,0,0|1,0,1]=4 79 B6R1.10 CC1(N)COC1 CS-W008280 [1,0,0,1,0,0|2,0,0]=4 80 B6R1.10 CC1(O)CNC1 CS-0007720 [1,0,0,1,0,0|1,0,1]=4 81 B6R1.11 O=C(O)C1CC1 CS-W018339 [1,0,0,1,0,0|1,0,1]=4 82 B6R1.1 C1CCNNC1 CS-0038680 [1,0,0,1,0,0|2,0,0]=4 83 B6R1.6 BrCC1CCC1 CS-0015296 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.4 CC1CCCC(N)C1 CS-D0430 [0,1,0,1,0,0|1,0,1]=4 85 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [0,1,0,1,0,0|1,0,1]=4 86 B8R1.4 O=C1CCCC(=O)N1 CS-W023103 [0,1,0,1,0,0|1,0,1]=4 87 B8R1.18 CC1CC(=O)OC1=O CS-Z0015 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.2 N#CC1CCCCC1 CS-W019522 [0,1,0,1,0,0|1,0,1]=4 89 B8R1.2 N#CC1CCNCC1 CS-0019876 [0,1,0,1,0,0|1,0,1]=4 90 B8R1.2 N#CC1CCOCC1 CS-W019661 [0,1,0,1,0,0|1,0,1]=4 91 B8R1.2 NOC1CCCCO1 CS-W007325 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.2 O=CN1CCOCC1 CS-W016603 [0,1,0,1,0,0|1,0,0]=3 93 B8R1.3 C[C@H]1CN[C@H](C)CN1 CS-B1271 [0,1,0,1,0,0|1,0,1]=4 94 B8R1.5 CC1CCCCC1=O CS-W011265 [0,1,0,1,0,0|0,0,0]=2 95 B8R1.5 CC1CNCCN1C CS-W005051 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.5 NC1CCCNC1=O CS-D0182 [0,1,0,1,0,0|1,0,0]=3 97 B8R1.5 O=C1CCNCC1F CS-0044438 [0,1,0,1,0,0|1,0,0]=3 98 B8R1.22 CC1CCNCCN1 CS-W022406 [0,1,0,1,0,0|2,0,0]=4 99 B8R1.50 CN1CCN(C)C1=N CS-W020203 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [0,1,0,1,0,0|0,0,0]=2 101 B8R1.7 NC(=O)C1CCCN1 CS-W005850 [0,1,0,1,0,0|1,0,0]=3 102 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-W018129 [0,1,0,1,0,0|1,0,0]=3 103 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [0,1,0,1,0,0|0,0,0]=2 104 B8R1.23 O=C1CC(C(=O)O)C1 CS-D1519 [0,1,0,1,0,0|1,0,1]=4 105 B8R1.11 CCN1CCCC1=O CS-W013650 [0,1,0,1,0,0|1,0,0]=3