0 B4R0.2 C#CCCN CS-0059198 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 CC#CCO CS-B1382 [0,0,0,0,0,0|1,0,3]=4 2 B4R0.2 CNCC#N CS-W002073 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 CNCCBr CS-0042068 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 CSCCN CS-0063136 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 N#CCCN CS-D1507 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.2 NCCON CS-M2746 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.2 NNCCO CS-W007663 [0,0,0,0,0,0|4,0,0]=4 8 B4R0.2 NOCCO CS-W011361 [0,0,0,0,0,0|4,0,0]=4 9 B4R0.2 OCCCBr CS-W007337 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.2 OCCCO CS-W018490 [0,0,0,0,0,0|2,0,2]=4 11 B3R0.1 CCON CS-0017502 [1,0,0,0,0,0|1,0,0]=2 12 B3R0.1 CNOC CS-D1361 [1,0,0,0,0,0|1,0,1]=3 13 B3R0.1 NCCBr CS-W008659 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CC#CC(=O)O CS-W007936 [0,1,0,0,0,0|1,0,1]=3 15 B5R0.1 CC(=O)CC#N CS-W020196 [0,1,0,0,0,0|2,0,1]=4 16 B5R0.1 CC(=O)CCCl CS-W022162 [0,1,0,0,0,0|2,0,0]=3 17 B5R0.1 CCCB(O)O CS-W007470 [0,1,0,0,0,0|2,0,1]=4 18 B5R0.1 CCOC(=N)N CS-W019160 [0,1,0,0,0,0|1,0,0]=2 19 B5R0.1 CCOC(=S)[S-] CS-W020193 [0,1,0,0,0,0|0,1,0]=2 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|2,0,0]=3 22 B5R0.1 COCC(=O)O CS-W020123 [0,1,0,0,0,0|2,0,0]=3 23 B5R0.1 COC[C@H](C)O CS-0031378 [0,1,0,0,0,0|3,0,0]=4 24 B5R0.1 C[C@@H](N)CCO CS-W013746 [0,1,0,0,0,0|1,0,2]=4 25 B5R0.1 N=C(O)CCN CS-W007497 [0,1,0,0,0,0|2,0,1]=4 26 B5R0.1 O=C(O)\C=C\Br CS-0063842 [0,1,0,0,0,0|2,0,1]=4 27 B5R0.2 BrC\C=C\CBr CS-0017873 [0,1,0,0,0,0|3,0,0]=4 28 B5R0.2 C#CCCCO CS-W011358 [0,1,0,0,0,0|2,0,1]=4 29 B5R0.2 C=CCCCBr CS-W018483 [0,1,0,0,0,0|2,0,0]=3 30 B5R0.2 CNCCNC CS-0020009 [0,1,0,0,0,0|3,0,0]=4 31 B5R0.2 COCCCBr CS-W010945 [0,1,0,0,0,0|2,0,1]=4 32 B5R0.2 COCCCO CS-W020636 [0,1,0,0,0,0|1,0,2]=4 33 B5R0.2 ClCCCCI CS-W019348 [0,1,0,0,0,0|2,0,1]=4 34 B5R0.2 NCCCCBr CS-W005399 [0,1,0,0,0,0|2,0,1]=4 35 B5R0.2 NCCCCF CS-0098954 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.3 CCC(=N)NO CS-D0340 [0,1,0,0,0,0|2,0,1]=4 37 B5R0.3 CCC(Br)CC CS-0015742 [0,1,0,0,0,0|2,0,1]=4 38 B5R0.3 CC[C@H](O)CO CS-0031373 [0,1,0,0,0,0|1,0,2]=4 39 B5R1.1 C1CSCN1 CS-M1684 [0,0,0,1,0,0|1,1,1]=4 40 B5R1.2 NC1CCC1 CS-0006655 [0,0,0,1,0,0|2,0,1]=4 41 B5R1.2 O=C1CNC1 CS-W019264 [0,0,0,1,0,0|2,0,0]=3 42 B5R1.2 O=C1COC1 CS-M1912 [0,0,0,1,0,0|2,0,0]=3 43 B5R1.2 O=C1CSC1 CS-B0978 [0,0,0,1,0,0|2,0,0]=3 44 B5R1.2 OC1CCC1 CS-W013758 [0,0,0,1,0,0|1,0,2]=4 45 B5R1.3 BrCC1CC1 CS-W020194 [0,0,0,1,0,0|2,0,1]=4 46 B5R1.3 CNC1CC1 CS-W019814 [0,0,0,1,0,0|3,0,0]=4 47 B2R0.1 CNO CS-W007348 [2,0,0,0,0,0|1,0,0]=3 48 B2R0.1 CSC CS-0015151 [2,0,0,0,0,0|0,1,1]=4 49 B2R0.1 N=CN CS-W007673 [2,0,0,0,0,0|2,0,0]=4 50 B2R0.1 O[Pd]O CS-0017903 [2,0,0,0,0,0|1,0,1]=4 51 B4R0.1 C#C[C@@H](C)O CS-0094046 [1,1,0,0,0,0|1,0,1]=4 52 B4R0.1 CC(=O)CN CS-W004850 [1,1,0,0,0,0|1,0,0]=3 53 B4R0.1 CC(=O)CO CS-0017823 [1,1,0,0,0,0|1,0,0]=3 54 B4R0.1 CC(C)ON CS-W008733 [1,1,0,0,0,0|1,0,0]=3 55 B4R0.1 CC(N)CF CS-0107816 [1,1,0,0,0,0|1,0,1]=4 56 B4R0.1 CCC(=N)N CS-W019290 [1,1,0,0,0,0|1,0,0]=3 57 B4R0.1 CCS(=O)[O-] CS-0020098 [1,1,0,0,0,0|0,1,0]=3 58 B4R0.1 C[C@@H](O)CO CS-W020032 [1,1,0,0,0,0|0,0,2]=4 59 B4R0.1 C[C@H](N)CO CS-B1303 [1,1,0,0,0,0|0,0,2]=4 60 B4R0.1 C[C@H](O)CN CS-W019029 [1,1,0,0,0,0|1,0,1]=4 61 B4R0.1 C[C@H](O)CO CS-0011520 [1,1,0,0,0,0|0,0,2]=4 62 B4R0.1 N=C(O)CBr CS-W007330 [1,1,0,0,0,0|1,0,1]=4 63 B4R0.1 N=C(O)CO CS-W016686 [1,1,0,0,0,0|1,0,1]=4 64 B4R0.1 [C@@H](C)(N)CN CS-W008537 [1,1,0,0,0,0|1,0,1]=4 65 B4R0.1 [C@H](C)(O)CCl CS-W005784 [1,1,0,0,0,0|1,0,1]=4 66 B6R0.1 CC#CC(=O)OC CS-0066219 [0,2,0,0,0,0|1,0,1]=4 67 B6R0.1 CCOC(=O)C#N CS-0022374 [0,2,0,0,0,0|0,0,0]=2 68 B6R0.1 CCOC(=O)CO CS-W019892 [0,2,0,0,0,0|0,0,0]=2 69 B6R0.1 CCO\C(O)=N\N CS-W008412 [0,2,0,0,0,0|0,0,1]=3 70 B6R0.1 COC(=O)CCBr CS-W008728 [0,2,0,0,0,0|2,0,0]=4 71 B6R0.2 CC(=O)NC(C)C CS-M3536 [0,2,0,0,0,0|1,0,0]=3 72 B6R0.2 CC(=O)\C=C(\C)N CS-0095595 [0,2,0,0,0,0|1,0,1]=4 73 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [0,2,0,0,0,0|1,0,1]=4 74 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085625 [0,2,0,0,0,0|1,0,1]=4 75 B6R0.2 CC(O)CC(=O)[O-] CS-W011168 [0,2,0,0,0,0|1,0,0]=3 76 B6R0.2 [C@H](C)(O)CC(=O)[O-] CS-W016567 [0,2,0,0,0,0|1,0,0]=3 77 B6R0.3 CCC(N)C(=O)O CS-W011306 [0,2,0,0,0,0|1,0,0]=3 78 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [0,2,0,0,0,0|1,0,0]=3 79 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [0,2,0,0,0,0|1,0,0]=3 80 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [0,2,0,0,0,0|2,0,0]=4 81 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [0,2,0,0,0,0|2,0,0]=4 82 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [0,2,0,0,0,0|2,0,0]=4 83 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [0,2,0,0,0,0|2,0,0]=4 84 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [0,2,0,0,0,0|2,0,0]=4 85 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [0,2,0,0,0,0|2,0,0]=4 86 B6R0.4 C#CCCC(=O)O CS-W008784 [0,2,0,0,0,0|1,0,1]=4 87 B6R0.4 C=CCCC(=O)O CS-W009138 [0,2,0,0,0,0|1,0,1]=4 88 B6R0.4 CC(=O)NCCN CS-W013694 [0,2,0,0,0,0|1,0,0]=3 89 B6R0.4 CC(=O)NCCO CS-W013689 [0,2,0,0,0,0|1,0,0]=3 90 B6R0.4 CCOCC(=O)O CS-0071579 [0,2,0,0,0,0|0,0,0]=2 91 B6R0.4 CO\C=C\C(C)=O CS-W013712 [0,2,0,0,0,0|1,0,1]=4 92 B6R0.4 N#CCCC(=O)O CS-W018565 [0,2,0,0,0,0|1,0,1]=4 93 B6R0.4 O=C(O)CCCBr CS-W016047 [0,2,0,0,0,0|1,0,0]=3 94 B6R0.6 BrCCOCCBr CS-W014174 [0,2,0,0,0,0|1,0,1]=4 95 B6R0.6 C=CCCCCO CS-W013711 [0,2,0,0,0,0|2,0,0]=4 96 B4R1.1 C1CNC1 CS-W011344 [1,0,0,1,0,0|1,0,1]=4 97 B6R1.2 CC1=COC=N1 CS-0028372 [0,1,0,1,0,0|1,0,1]=4 98 B6R1.2 CC1=NN=CO1 CS-W018813 [0,1,0,1,0,0|1,0,1]=4 99 B6R1.2 NC1CC=CC1 CS-W022621 [0,1,0,1,0,0|2,0,0]=4 100 B6R1.2 O=C1C=CCC1 CS-W011359 [0,1,0,1,0,0|1,0,0]=3 101 B6R1.2 O=C1C=CCO1 CS-W008270 [0,1,0,1,0,0|0,0,1]=3 102 B6R1.2 O=C1CCOC1 CS-D1574 [0,1,0,1,0,0|0,0,0]=2 103 B6R1.2 O=C1NCCS1 CS-W023026 [0,1,0,1,0,0|0,1,0]=3 104 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,1,0,1,0,0|0,0,2]=4 105 B6R1.3 O=CNC1CC1 CS-M1370 [0,1,0,1,0,0|1,0,0]=3 106 B6R1.5 NC1CC(=O)C1 CS-W005321 [0,1,0,1,0,0|1,0,0]=3 107 B6R1.11 O=S([O-])C1CC1 CS-W023133 [0,1,0,1,0,0|2,0,0]=4 108 B6R1.1 C1=CCNCC1 CS-W021272 [0,1,0,1,0,0|2,0,0]=4 109 B6R1.6 OCC1CCO1 CS-W019194 [0,1,0,1,0,0|0,0,2]=4