0 B4R0.2 C#CCON CS-B1211 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.2 C=CCCN CS-0028781 [0,0,0,0,0,0|1,0,2]=3 2 B4R0.2 C=CCNN CS-0038154 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.2 ClCCCI CS-W018493 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.1 C#CCC(=O)O CS-W004784 [0,1,0,0,0,0|0,0,3]=4 5 B5R0.1 C=CC[C@H](C)O CS-0081915 [0,1,0,0,0,0|0,0,2]=3 6 B5R0.1 CC(F)CCN CS-0104778 [0,1,0,0,0,0|1,0,0]=2 7 B5R0.1 CCC[C@H](C)N CS-W006528 [0,1,0,0,0,0|1,0,0]=2 8 B5R0.1 CN(C)CCBr CS-W004693 [0,1,0,0,0,0|2,0,0]=3 9 B5R0.1 COC[C@@H](C)N CS-W019198 [0,1,0,0,0,0|2,0,0]=3 10 B5R0.1 C[C@H](N)CCO CS-W019851 [0,1,0,0,0,0|0,0,0]=1 11 B5R0.1 C[C@H](O)CCO CS-W016671 [0,1,0,0,0,0|0,0,0]=1 12 B5R0.2 CNCCCO CS-W007469 [0,1,0,0,0,0|0,0,0]=1 13 B5R0.2 COCCNN CS-0035845 [0,1,0,0,0,0|2,0,0]=3 14 B5R0.2 ClCC#CCCl CS-W013542 [0,1,0,0,0,0|1,0,2]=4 15 B5R0.2 NC\C=C/CN CS-WAA0092 [0,1,0,0,0,0|1,0,2]=4 16 B5R0.2 NNCCCO CS-0047562 [0,1,0,0,0,0|1,0,0]=2 17 B5R0.2 OC\C=C\CO CS-B0322 [0,1,0,0,0,0|0,0,2]=3 18 B5R0.3 C=C(C#N)CO CS-0079973 [0,1,0,0,0,0|1,0,2]=4 19 B5R0.3 CC(CN)CCl CS-0038279 [0,1,0,0,0,0|2,0,0]=3 20 B5R0.3 CCC(C)NN CS-0035425 [0,1,0,0,0,0|2,0,0]=3 21 B5R0.3 CCC(F)CN CS-0104693 [0,1,0,0,0,0|1,0,0]=2 22 B5R0.3 CO[C@H](C)CO CS-W011349 [0,1,0,0,0,0|1,0,0]=2 23 B5R0.3 OCC(O)CO CS-B1784 [0,1,0,0,0,0|1,0,0]=2 24 B5R0.3 OC[C@@H](O)CF CS-0022575 [0,1,0,0,0,0|1,0,0]=2 25 B5R0.3 OC[C@H](O)CF CS-0022569 [0,1,0,0,0,0|1,0,0]=2 26 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [0,1,0,0,0,0|0,0,0]=1 27 B5R1.2 O=C1CCN1 CS-W011364 [0,0,0,1,0,0|1,0,2]=4 28 B5R1.2 OC1CNC1 CS-D0673 [0,0,0,1,0,0|1,0,0]=2 29 B5R1.3 NNC1CC1 CS-B1049 [0,0,0,1,0,0|2,0,0]=3 30 B5R1.3 O=CC1CC1 CS-W013759 [0,0,0,1,0,0|0,0,2]=3 31 B5R1.3 OC[C@H]1CO1 CS-0001461 [0,0,0,1,0,0|1,0,0]=2 32 B5R1.4 CC1CC1N CS-0047191 [0,0,0,1,0,0|1,0,0]=2 33 B2R0.1 CNN CS-W022891 [2,0,0,0,0,0|2,0,0]=4 34 B4R0.1 C[C@@H](N)CF CS-0104382 [1,1,0,0,0,0|1,0,0]=3 35 B4R0.1 C[C@H](N)CF CS-0090252 [1,1,0,0,0,0|1,0,0]=3 36 B4R0.1 OCC(F)F CS-0020170 [1,1,0,0,0,0|1,0,0]=3 37 B6R0.1 CCOC(=N)CC CS-0047019 [0,2,0,0,0,0|1,0,1]=4 38 B6R0.1 COC(=O)CCO CS-0022864 [0,2,0,0,0,0|0,0,1]=3 39 B6R0.2 CC(C)NC(C)C CS-B1708 [0,2,0,0,0,0|2,0,0]=4 40 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [0,2,0,0,0,0|0,0,1]=3 41 B6R0.3 CC(C)[C@H](N)CO CS-W020370 [0,2,0,0,0,0|0,0,0]=2 42 B6R0.3 CNC(C)C(C)C CS-W000156 [0,2,0,0,0,0|2,0,0]=4 43 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [0,2,0,0,0,0|1,0,1]=4 44 B6R0.4 CC(C)NCCCl CS-W006300 [0,2,0,0,0,0|1,0,0]=3 45 B6R0.4 CCCCC(=N)N CS-0046978 [0,2,0,0,0,0|1,0,0]=3 46 B6R0.4 COCCC(=N)N CS-0046979 [0,2,0,0,0,0|1,0,1]=4 47 B6R0.5 CC(C)(F)CCN CS-0061673 [0,2,0,0,0,0|1,0,0]=3 48 B6R0.5 CC(C)(N)CCO CS-W004889 [0,2,0,0,0,0|0,0,0]=2 49 B6R0.5 CCCS(N)(=O)=O CS-W022937 [0,2,0,0,0,0|1,0,1]=4 50 B6R0.5 CNCC(C)(C)C CS-W020152 [0,2,0,0,0,0|2,0,0]=4 51 B6R0.6 C=COCCON CS-M0262 [0,2,0,0,0,0|0,0,2]=4 52 B6R0.6 CC#CCCCO CS-0047308 [0,2,0,0,0,0|0,0,0]=2 53 B6R0.6 CNCCCCO CS-W006493 [0,2,0,0,0,0|0,0,0]=2 54 B6R0.8 CC(C)(C#N)CO CS-W018923 [0,2,0,0,0,0|1,0,1]=4 55 B6R0.8 CNC(C)(C)CO CS-W018699 [0,2,0,0,0,0|1,0,0]=3 56 B6R0.8 NCC(F)(F)CN CS-0038484 [0,2,0,0,0,0|2,0,0]=4 57 B6R0.8 OCC(F)(F)CO CS-0094694 [0,2,0,0,0,0|1,0,0]=3 58 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [0,1,0,1,0,0|1,0,0]=3 59 B6R1.2 FC1CCNC1 CS-W005668 [0,1,0,1,0,0|1,0,0]=3 60 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [0,1,0,1,0,0|1,0,0]=3 61 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [0,1,0,1,0,0|0,0,0]=2 62 B6R1.2 O=C1CCNC1 CS-W005267 [0,1,0,1,0,0|0,0,2]=4 63 B6R1.2 OC1CCOC1 CS-M0786 [0,1,0,1,0,0|0,0,0]=2 64 B6R1.2 O[C@H]1CCOC1 CS-D0600 [0,1,0,1,0,0|0,0,0]=2 65 B6R1.3 CCNC1CC1 CS-0046972 [0,1,0,1,0,0|1,0,0]=3 66 B6R1.3 OCC[C@@H]1CO1 CS-0057154 [0,1,0,1,0,0|0,0,0]=2 67 B6R1.5 CC1CC(N)C1 CS-W006905 [0,1,0,1,0,0|1,0,0]=3 68 B6R1.5 NC1CC(F)C1 CS-0045538 [0,1,0,1,0,0|1,0,0]=3 69 B6R1.5 NC1CC(O)C1 CS-W003832 [0,1,0,1,0,0|0,0,0]=2 70 B6R1.5 N[C@H]1C[C@@H](O)C1 CS-W022615 [0,1,0,1,0,0|0,0,0]=2 71 B6R1.8 C[C@@H]1C[C@H]1CN CS-0039743 [0,1,0,1,0,0|1,0,0]=3 72 B6R1.10 CC1(O)COC1 CS-W005276 [0,1,0,1,0,0|1,0,0]=3 73 B6R1.11 N=C(N)C1CC1 CS-W022622 [0,1,0,1,0,0|1,0,1]=4 74 B6R1.4 CC1OCC1=O CS-0051833 [0,1,0,1,0,0|0,0,1]=3 75 B6R1.6 N#CC1CCC1 CS-0007644 [0,1,0,1,0,0|1,0,0]=3 76 B6R1.6 N#CC1CNC1 CS-W018612 [0,1,0,1,0,0|1,0,1]=4 77 B6R1.6 N#CC1COC1 CS-0043332 [0,1,0,1,0,0|1,0,1]=4 78 B6R1.6 NCC1CCC1 CS-W004986 [0,1,0,1,0,0|1,0,0]=3 79 B6R1.6 NCC1CCC1 CS-W022619 [0,1,0,1,0,0|1,0,0]=3 80 B6R1.6 NNC1CCC1 CS-D1710 [0,1,0,1,0,0|1,0,0]=3 81 B6R1.7 CC1(CN)CC1 CS-0037189 [0,1,0,1,0,0|1,0,0]=3 82 B6R1.7 CC1(CO)N=N1 CS-0101345 [0,1,0,1,0,0|2,0,0]=4 83 B6R1.7 NCC1(O)CC1 CS-W005471 [0,1,0,1,0,0|1,0,0]=3 84 B6R1.7 OCC1(O)CC1 CS-0037029 [0,1,0,1,0,0|0,0,0]=2