0 B5R0.1 CC(=O)CCO CS-0044370 [0,0,0,0,0,0|1,1,1]=3 1 B5R0.1 CC(N)CC#N CS-W020282 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 CC(N)CCO CS-W004841 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 CCOC(C)=N CS-W008601 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CNCC(=N)O CS-W011178 [0,0,0,0,0,0|2,1,1]=4 5 B5R0.1 COC[C@@H](C)O CS-0019059 [0,0,0,0,0,0|1,1,0]=2 6 B4R0.1 CC(N)CO CS-W018531 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.1 CC(O)CBr CS-0063182 [1,0,0,0,0,0|1,1,0]=3 8 B4R0.1 CCC(=N)O CS-W016688 [1,0,0,0,0,0|1,1,1]=4 9 B4R0.1 CC[C@H](C)N CS-0084847 [1,0,0,0,0,0|1,0,0]=2 10 B4R0.2 BrCCCBr CS-W020641 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.2 NCCCBr CS-W008585 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.2 NCCCCl CS-0015792 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.2 NCCCO CS-W020089 [1,0,0,0,0,0|1,1,0]=3 14 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.1 CCOC(=O)CN CS-W020007 [0,1,0,0,0,0|1,1,1]=4 16 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,1,0,0,0,0|1,1,1]=4 17 B6R0.1 COC(=O)CCS CS-0000049 [0,1,0,0,0,0|1,1,1]=4 18 B6R0.1 COC(C)CCO CS-W013686 [0,1,0,0,0,0|1,1,0]=3 19 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [0,1,0,0,0,0|1,1,1]=4 20 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [0,1,0,0,0,0|1,1,1]=4 21 B6R0.3 COC(=O)[C@@H](C)O CS-W016638 [0,1,0,0,0,0|1,1,1]=4 22 B6R0.3 COC(=O)[C@H](C)O CS-WAA0219 [0,1,0,0,0,0|1,1,1]=4 23 B6R0.4 CC(=O)CCCCl CS-W013569 [0,1,0,0,0,0|0,1,1]=3 24 B6R0.4 CC(=O)OCCBr CS-W007598 [0,1,0,0,0,0|1,1,1]=4 25 B6R0.4 CC(C)OCCBr CS-W018660 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.4 CCCOC(N)=O CS-W019060 [0,1,0,0,0,0|1,1,1]=4 27 B6R0.4 CN(C)CCCCl CS-W019575 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.4 CNCCC(C)C CS-0039334 [0,1,0,0,0,0|1,0,0]=2 29 B6R0.4 COCCC(=O)O CS-W009112 [0,1,0,0,0,0|1,1,1]=4 30 B6R0.5 NCCC(F)(F)F CS-W004765 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.5 OCCC(F)(F)F CS-W011251 [0,1,0,0,0,0|3,0,0]=4 32 B6R1.2 BrC1CCNC1 CS-W005728 [0,0,0,1,0,0|2,0,0]=3 33 B6R1.2 CC1CCNC1 CS-W021968 [0,0,0,1,0,0|2,0,0]=3 34 B6R1.2 NC1=NCCC1 CS-B0123 [0,0,0,1,0,0|2,0,1]=4 35 B6R1.2 NC1CCOC1 CS-D1564 [0,0,0,1,0,0|2,0,0]=3 36 B6R1.2 O=C1CCSC1 CS-W011310 [0,0,0,1,0,0|1,1,1]=4 37 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,0,0,1,0,0|1,1,0]=3 38 B6R1.3 NCCC1CC1 CS-W006511 [0,0,0,1,0,0|2,0,0]=3 39 B6R1.3 NOCC1CC1 CS-W019324 [0,0,0,1,0,0|3,0,0]=4 40 B6R1.3 OCCC1CC1 CS-W016679 [0,0,0,1,0,0|2,0,0]=3 41 B6R1.5 N[C@H]1C[C@H](O)C1 CS-W023030 [0,0,0,1,0,0|1,1,0]=3 42 B6R1.10 CC1(N)COC1 CS-W008280 [0,0,0,1,0,0|2,0,0]=3 43 B6R1.10 CC1(O)CNC1 CS-0007720 [0,0,0,1,0,0|1,1,0]=3 44 B6R1.11 O=C(O)C1CC1 CS-W018339 [0,0,0,1,0,0|1,1,1]=4 45 B3R0.1 CCCN CS-0079898 [2,0,0,0,0,0|1,0,0]=3 46 B3R0.1 NCCCl CS-W013617 [2,0,0,0,0,0|2,0,0]=4 47 B3R0.1 NCCF CS-W007788 [2,0,0,0,0,0|2,0,0]=4 48 B3R0.2 [ZrH](C)(C)Cl CS-W020093 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.3 CC[C@@H](N)CO CS-W020734 [1,1,0,0,0,0|1,0,0]=3 50 B5R0.3 CC[C@H](N)CO CS-W013745 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.3 NC(CO)CO CS-W007357 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.4 CC(C)(N)CO CS-W013743 [1,1,0,0,0,0|2,0,0]=4 53 B5R0.4 CC(C)(O)CN CS-W008799 [1,1,0,0,0,0|1,1,0]=4 54 B5R0.2 BrCCCCBr CS-W020631 [1,1,0,0,0,0|1,0,0]=3 55 B5R0.2 C#CCCCCl CS-W009550 [1,1,0,0,0,0|0,0,2]=4 56 B5R0.2 C=CCCCO CS-W011355 [1,1,0,0,0,0|0,0,2]=4 57 B5R0.2 COCCC#N CS-0030563 [1,1,0,0,0,0|1,0,1]=4 58 B5R0.2 ICCCCI CS-W004871 [1,1,0,0,0,0|1,0,0]=3 59 B5R0.2 N#CCCCCl CS-D1161 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,2,0,0,0,0|0,1,1]=4 61 B7R0.2 CN(C)CC(O)CO CS-W016584 [0,2,0,0,0,0|1,1,0]=4 62 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [0,2,0,0,0,0|0,1,1]=4 63 B7R0.2 [C@H](N)(CO)CC(C)C CS-W013604 [0,2,0,0,0,0|1,0,0]=3 64 B7R0.5 CCOC(=O)C(C)Br CS-0009888 [0,2,0,0,0,0|1,0,1]=4 65 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [0,2,0,0,0,0|0,1,1]=4 66 B7R0.7 COCC(N)COC CS-W005488 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.10 CCC(Br)C(=O)OC CS-W017174 [0,2,0,0,0,0|0,1,1]=4 68 B7R0.10 CC[C@H](N)C(=O)OC CS-0031391 [0,2,0,0,0,0|0,1,1]=4 69 B7R0.12 COC(CCBr)OC CS-W023200 [0,2,0,0,0,0|1,1,0]=4 70 B7R0.14 [C@@H](N)(CO)C(C)(C)C CS-W005274 [0,2,0,0,0,0|2,0,0]=4 71 B7R0.4 CC(O)CNCCO CS-M0804 [0,2,0,0,0,0|0,1,0]=3 72 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [0,2,0,0,0,0|0,1,1]=4 73 B5R1.2 CC1CNC1 CS-W019342 [1,0,0,1,0,0|2,0,0]=4 74 B5R1.3 ClC[C@@H]1CO1 CS-0015935 [1,0,0,1,0,0|1,1,0]=4 75 B5R1.1 C1CSCN1 CS-0006687 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.1 COC1=NCCC1 CS-W022401 [0,1,0,1,0,0|1,0,1]=4 77 B7R1.1 COC1CCNC1 CS-W004880 [0,1,0,1,0,0|1,1,0]=4 78 B7R1.1 NCC1CCCN1 CS-0019253 [0,1,0,1,0,0|1,0,0]=3 79 B7R1.1 NCC1CCOC1 CS-W004787 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.1 OCC1CCOC1 CS-D1159 [0,1,0,1,0,0|1,1,0]=4 81 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,1,0,1,0,0|0,1,0]=3 82 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,1,0,1,0,0|1,1,0]=4 83 B7R1.2 NC1CCC(O)C1 CS-W005211 [0,1,0,1,0,0|0,1,0]=3 84 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0058643 [0,1,0,1,0,0|0,1,0]=3 85 B7R1.3 BrC1CCCCC1 CS-W017925 [0,1,0,1,0,0|1,0,0]=3 86 B7R1.3 C=C1CCNCC1 CS-D0508 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,1,0,1,0,0|1,0,0]=3 88 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,1,0,1,0,0|0,1,0]=3 89 B7R1.3 ClC1CCNCC1 CS-W006160 [0,1,0,1,0,0|1,0,0]=3 90 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,1,0,1,0,0|1,0,0]=3 91 B7R1.3 O=C1CCCCN1 CS-W022933 [0,1,0,1,0,0|0,1,1]=4 92 B7R1.3 O=C1CCCOC1 CS-D1576 [0,1,0,1,0,0|0,1,1]=4 93 B7R1.3 OC1CCCNC1 CS-D1393 [0,1,0,1,0,0|0,1,0]=3 94 B7R1.3 OC1CCCOC1 CS-D1560 [0,1,0,1,0,0|0,1,0]=3 95 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,1,0,1,0,0|1,0,0]=3 96 B7R1.14 CC1(C)CCCN1 CS-W021476 [0,1,0,1,0,0|1,0,0]=3