0 B5R1.3 BrCC1CC1 CS-W020194 [0,1,0,0,0,0|1,0,0]=2 1 B5R1.3 CNC1CC1 CS-W019814 [0,1,0,0,0,0|1,0,0]=2 2 B5R1.3 ClC[C@H]1CO1 CS-0005957 [0,1,0,0,0,0|0,0,0]=1 3 B5R1.3 [C@@H]1(CO)CO1 CS-W013757 [0,1,0,0,0,0|0,0,0]=1 4 B3R0.1 CCON CS-0017502 [0,0,1,0,0,0|1,0,0]=2 5 B3R0.1 CNOC CS-D1361 [0,0,1,0,0,0|1,0,0]=2 6 B3R0.1 NCCBr CS-W008659 [0,0,1,0,0,0|2,0,0]=3 7 B3R0.2 CC(=O)[O-] CS-0084981 [0,0,1,0,0,0|1,0,2]=4 8 B3R0.2 CC(N)=S CS-W018499 [0,0,1,0,0,0|1,1,1]=4 9 B3R0.2 CS(=O)[O-] CS-0019422 [0,0,1,0,0,0|2,0,1]=4 10 B5R1.2 BrC1COC1 CS-D1251 [0,0,0,0,0,1|1,0,0]=2 11 B5R1.2 FC1CNC1 CS-W001606 [0,0,0,0,0,1|2,0,0]=3 12 B5R1.2 IC1COC1 CS-W017022 [0,0,0,0,0,1|1,0,0]=2 13 B5R1.2 NC1CCC1 CS-0006655 [0,0,0,0,0,1|2,0,0]=3 14 B5R1.2 NC1COC1 CS-D0204 [0,0,0,0,0,1|1,0,0]=2 15 B5R1.2 NC1COC1 CS-W018946 [0,0,0,0,0,1|1,0,0]=2 16 B5R1.2 O=C1CNC1 CS-W019264 [0,0,0,0,0,1|2,0,1]=4 17 B5R1.2 O=C1COC1 CS-M1912 [0,0,0,0,0,1|1,0,1]=3 18 B5R1.2 O=C1CSC1 CS-B0978 [0,0,0,0,0,1|1,1,1]=4 19 B5R1.2 OC1CCC1 CS-W013758 [0,0,0,0,0,1|2,0,0]=3 20 B5R1.2 OC1COC1 CS-W007362 [0,0,0,0,0,1|1,0,0]=2 21 B2R0.1 CNO CS-W007348 [1,0,1,0,0,0|1,0,0]=3 22 B2R0.1 CSC CS-0015151 [1,0,1,0,0,0|0,1,0]=3 23 B2R0.1 O[Pd]O CS-0017903 [1,0,1,0,0,0|2,0,0]=4 24 B4R0.1 C#C[C@@H](C)O CS-0094046 [0,1,1,0,0,0|0,0,2]=4 25 B4R0.1 CC(=N)NO CS-W008635 [0,1,1,0,0,0|1,0,1]=4 26 B4R0.1 CC(=O)CN CS-W004850 [0,1,1,0,0,0|1,0,1]=4 27 B4R0.1 CC(=O)CO CS-0017823 [0,1,1,0,0,0|0,0,1]=3 28 B4R0.1 CC(C)ON CS-W008733 [0,1,1,0,0,0|1,0,0]=3 29 B4R0.1 CC(N)CF CS-0107816 [0,1,1,0,0,0|1,0,0]=3 30 B4R0.1 CCC(=N)N CS-W019290 [0,1,1,0,0,0|1,0,1]=4 31 B4R0.1 CCS(=O)[O-] CS-0020098 [0,1,1,0,0,0|1,0,1]=4 32 B4R0.1 CNN(C)C CS-M2145 [0,1,1,0,0,0|2,0,0]=4 33 B4R0.1 C[C@@H](O)CO CS-W020032 [0,1,1,0,0,0|0,0,0]=2 34 B4R0.1 C[C@H](N)CO CS-B1303 [0,1,1,0,0,0|0,0,0]=2 35 B4R0.1 C[C@H](O)CN CS-W019029 [0,1,1,0,0,0|1,0,0]=3 36 B4R0.1 C[C@H](O)CO CS-0011520 [0,1,1,0,0,0|0,0,0]=2 37 B4R0.1 N=C(O)CBr CS-W007330 [0,1,1,0,0,0|1,0,1]=4 38 B4R0.1 N=C(O)CO CS-W016686 [0,1,1,0,0,0|1,0,1]=4 39 B4R0.1 [C@@H](C)(N)CN CS-W008537 [0,1,1,0,0,0|1,0,0]=3 40 B4R0.1 [C@H](C)(O)CCl CS-W005784 [0,1,1,0,0,0|1,0,0]=3 41 B4R0.2 C#CCCN CS-0059198 [0,1,1,0,0,0|1,0,1]=4 42 B4R0.2 CC#CCO CS-B1382 [0,1,1,0,0,0|0,0,1]=3 43 B4R0.2 CNCC#N CS-W002073 [0,1,1,0,0,0|1,0,1]=4 44 B4R0.2 CNCCBr CS-0042068 [0,1,1,0,0,0|1,0,0]=3 45 B4R0.2 CSCCN CS-0063136 [0,1,1,0,0,0|0,1,0]=3 46 B4R0.2 N#CCCN CS-D1507 [0,1,1,0,0,0|1,0,1]=4 47 B4R0.2 NCCON CS-M2746 [0,1,1,0,0,0|1,0,0]=3 48 B4R0.2 NNCCO CS-W007663 [0,1,1,0,0,0|1,0,0]=3 49 B4R0.2 NOCCO CS-W011361 [0,1,1,0,0,0|1,0,0]=3 50 B4R0.2 OCCCBr CS-W007337 [0,1,1,0,0,0|0,0,0]=2 51 B4R0.2 OCCCO CS-W018490 [0,1,1,0,0,0|0,0,0]=2 52 B4R0.3 C[N+](C)(C)C CS-0020173 [0,1,1,0,0,0|2,0,0]=4 53 B4R0.3 C[N+](C)(C)C CS-W011077 [0,1,1,0,0,0|2,0,0]=4 54 B4R0.3 C[N+](C)(C)C CS-W018526 [0,1,1,0,0,0|2,0,0]=4 55 B6R1.5 CN1CC(O)C1 CS-0041554 [0,1,0,0,0,1|2,0,0]=4 56 B6R1.5 NC1CC(=O)C1 CS-W005321 [0,1,0,0,0,1|2,0,0]=4 57 B6R1.6 COC1CNC1 CS-W008894 [0,1,0,0,0,1|1,0,0]=3 58 B6R1.6 NCC1CNC1 CS-W022574 [0,1,0,0,0,1|1,0,0]=3 59 B6R1.6 NCC1COC1 CS-W008698 [0,1,0,0,0,1|0,0,0]=2 60 B6R1.6 OCC1CCO1 CS-W019194 [0,1,0,0,0,1|0,0,0]=2 61 B6R1.6 OCC1COC1 CS-W004925 [0,1,0,0,0,1|0,0,0]=2 62 B6R1.3 CNCC1CC1 CS-0045377 [0,2,0,0,0,0|1,0,0]=3 63 B6R1.3 N#CCC1CC1 CS-0051913 [0,2,0,0,0,0|1,0,0]=3 64 B6R1.3 O=CNC1CC1 CS-M1370 [0,2,0,0,0,0|1,0,1]=4 65 B6R1.3 OCCN1CC1 CS-W023058 [0,2,0,0,0,0|2,0,0]=4 66 B6R1.3 OCC[C@H]1CO1 CS-0081472 [0,2,0,0,0,0|0,0,0]=2 67 B6R1.7 C#CC1(N)CC1 CS-B0936 [0,2,0,0,0,0|1,0,1]=4 68 B6R1.7 N#CC1(N)CC1 CS-D0921 [0,2,0,0,0,0|1,0,1]=4 69 B6R1.7 NC1(CO)CC1 CS-D0148 [0,2,0,0,0,0|1,0,0]=3 70 B6R1.11 C[C@@H](N)C1CC1 CS-0034128 [0,2,0,0,0,0|1,0,0]=3 71 B6R1.11 C[C@H](N)C1CC1 CS-0036411 [0,2,0,0,0,0|1,0,0]=3 72 B6R1.11 O=S([O-])C1CC1 CS-W023133 [0,2,0,0,0,0|2,0,0]=4 73 B6R1.11 OB(O)C1CC1 CS-D1018 [0,2,0,0,0,0|2,0,0]=4 74 B4R1.1 C1CNC1 CS-W011344 [0,0,1,1,0,0|1,0,0]=3 75 B6R1.2 CC1=COC=N1 CS-0028372 [0,0,0,0,0,2|0,0,2]=4 76 B6R1.2 CC1=NN=CO1 CS-W018813 [0,0,0,0,0,2|0,0,2]=4 77 B6R1.2 CC1=NON=C1 CS-0063186 [0,0,0,0,0,2|0,0,2]=4 78 B6R1.2 NC1CC=CC1 CS-W022621 [0,0,0,0,0,2|2,0,0]=4 79 B6R1.2 NC1CCNC1 CS-W016190 [0,0,0,0,0,2|2,0,0]=4 80 B6R1.2 O=C1C=CCO1 CS-W008270 [0,0,0,0,0,2|1,0,1]=4 81 B6R1.2 O=C1CCOC1 CS-D1574 [0,0,0,0,0,2|1,0,1]=4 82 B6R1.2 OC1CCNC1 CS-W022946 [0,0,0,0,0,2|2,0,0]=4 83 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [0,0,0,0,0,2|2,0,0]=4 84 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [0,0,0,0,0,2|2,0,0]=4 85 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,0,0,0,0,2|1,0,0]=3 86 B6R1.2 O[C@H]1CCNC1 CS-M0906 [0,0,0,0,0,2|2,0,0]=4 87 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [0,0,0,0,0,2|1,0,0]=3 88 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [0,0,0,0,0,2|2,0,0]=4