0 B3R0.1 CCON CS-0017502 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.1 CNOC CS-D1361 [0,0,0,0,0,0|3,0,0]=3 2 B3R0.1 NCCBr CS-W008659 [0,0,0,0,0,0|2,0,0]=2 3 B2R0.1 CNO CS-W007348 [1,0,0,0,0,0|1,1,0]=3 4 B2R0.1 CSC CS-0015151 [1,0,0,0,0,0|1,0,0]=2 5 B2R0.1 I[Ni]I CS-W001144 [1,0,0,0,0,0|3,0,0]=4 6 B2R0.1 N=CN CS-W007673 [1,0,0,0,0,0|2,0,1]=4 7 B2R0.1 O[Pd]O CS-0017903 [1,0,0,0,0,0|2,1,0]=4 8 B4R0.1 C#C[C@@H](C)O CS-0094046 [0,1,0,0,0,0|1,0,1]=3 9 B4R0.1 CC(=N)NO CS-W008635 [0,1,0,0,0,0|1,1,1]=4 10 B4R0.1 CC(=O)CN CS-W004850 [0,1,0,0,0,0|1,0,1]=3 11 B4R0.1 CC(=O)CO CS-0017823 [0,1,0,0,0,0|0,1,1]=3 12 B4R0.1 CC(C)ON CS-W008733 [0,1,0,0,0,0|2,0,0]=3 13 B4R0.1 CC(N)CF CS-0107816 [0,1,0,0,0,0|1,0,0]=2 14 B4R0.1 CCC(=N)N CS-W019290 [0,1,0,0,0,0|1,0,1]=3 15 B4R0.1 CCS(=O)[O-] CS-0020098 [0,1,0,0,0,0|1,1,0]=3 16 B4R0.1 CNN(C)C CS-M2145 [0,1,0,0,0,0|3,0,0]=4 17 B4R0.1 C[C@@H](O)CO CS-W020032 [0,1,0,0,0,0|0,1,0]=2 18 B4R0.1 C[C@H](N)CO CS-B1303 [0,1,0,0,0,0|0,1,0]=2 19 B4R0.1 C[C@H](O)CN CS-W019029 [0,1,0,0,0,0|1,0,0]=2 20 B4R0.1 C[C@H](O)CO CS-0011520 [0,1,0,0,0,0|0,1,0]=2 21 B4R0.1 N=C(O)CBr CS-W007330 [0,1,0,0,0,0|1,1,1]=4 22 B4R0.1 N=C(O)CO CS-W016686 [0,1,0,0,0,0|1,1,1]=4 23 B4R0.1 [C@@H](C)(N)CN CS-W008537 [0,1,0,0,0,0|1,0,0]=2 24 B4R0.1 [C@H](C)(O)CCl CS-W005784 [0,1,0,0,0,0|1,0,0]=2 25 B4R0.2 C#CCCN CS-0059198 [0,1,0,0,0,0|1,0,1]=3 26 B4R0.2 CC#CCO CS-B1382 [0,1,0,0,0,0|0,1,1]=3 27 B4R0.2 CNCC#N CS-W002073 [0,1,0,0,0,0|1,0,1]=3 28 B4R0.2 CNCCBr CS-0042068 [0,1,0,0,0,0|1,0,0]=2 29 B4R0.2 CSCCN CS-0063136 [0,1,0,0,0,0|1,0,0]=2 30 B4R0.2 N#CCCN CS-D1507 [0,1,0,0,0,0|1,0,1]=3 31 B4R0.2 NCCON CS-M2746 [0,1,0,0,0,0|1,1,0]=3 32 B4R0.2 NNCCO CS-W007663 [0,1,0,0,0,0|1,1,0]=3 33 B4R0.2 NOCCO CS-W011361 [0,1,0,0,0,0|1,1,0]=3 34 B4R0.2 OCCCBr CS-W007337 [0,1,0,0,0,0|0,1,0]=2 35 B4R0.2 OCCCO CS-W018490 [0,1,0,0,0,0|0,1,0]=2 36 B4R1.1 C1CNC1 CS-W011344 [0,0,0,1,0,0|1,0,0]=2 37 B1R0.1 NN CS-W019806 [2,0,0,0,0,0|2,0,0]=4 38 B3R0.2 CC(=O)[O-] CS-0084981 [1,1,0,0,0,0|0,1,1]=4 39 B3R0.2 CC(N)=S CS-W018499 [1,1,0,0,0,0|0,0,2]=4 40 B3R0.2 CS(=O)[O-] CS-0019422 [1,1,0,0,0,0|1,1,0]=4 41 B5R0.1 CC(=O)CC#N CS-W020196 [0,2,0,0,0,0|1,0,1]=4 42 B5R0.1 CC(=O)CCCl CS-W022162 [0,2,0,0,0,0|1,0,0]=3 43 B5R0.1 CCCB(O)O CS-W007470 [0,2,0,0,0,0|0,1,0]=3 44 B5R0.1 CCOC(=N)N CS-W019160 [0,2,0,0,0,0|1,0,1]=4 45 B5R0.1 CCOC(=S)[S-] CS-W020193 [0,2,0,0,0,0|0,0,2]=4 46 B5R0.1 CNCC(=O)O CS-W013507 [0,2,0,0,0,0|0,1,1]=4 47 B5R0.1 COCC(=O)O CS-W020123 [0,2,0,0,0,0|0,1,1]=4 48 B5R0.1 COC[C@H](C)O CS-0031378 [0,2,0,0,0,0|0,1,0]=3 49 B5R0.1 C[C@@H](N)CCO CS-W013746 [0,2,0,0,0,0|0,1,0]=3 50 B5R0.1 N=C(O)CCN CS-W007497 [0,2,0,0,0,0|0,1,1]=4 51 B5R0.3 CC(CO)CO CS-0021060 [0,2,0,0,0,0|0,1,0]=3 52 B5R0.3 CCC(=N)NO CS-D0340 [0,2,0,0,0,0|0,1,1]=4 53 B5R0.3 CCC(Br)CC CS-0015742 [0,2,0,0,0,0|1,0,0]=3 54 B5R0.3 CC[C@H](O)CO CS-0031373 [0,2,0,0,0,0|0,1,0]=3 55 B5R0.3 COC(C)CO CS-W011348 [0,2,0,0,0,0|0,1,0]=3 56 B5R0.3 NCC(O)CN CS-W007600 [0,2,0,0,0,0|1,0,0]=3 57 B5R0.3 NC[C@H](O)CCl CS-W021152 [0,2,0,0,0,0|1,0,0]=3 58 B5R0.3 OC[C@@H](O)CCl CS-W018500 [0,2,0,0,0,0|0,1,0]=3 59 B5R0.3 [C@H](O)(CN)CO CS-W017771 [0,2,0,0,0,0|0,1,0]=3 60 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [0,2,0,0,0,0|0,1,0]=3 61 B5R0.4 CC(C)(C)CN CS-W019134 [0,2,0,0,0,0|1,0,0]=3 62 B5R0.4 CC(C)(C)NO CS-W022903 [0,2,0,0,0,0|1,1,0]=4 63 B5R0.4 CC(C)(N)CN CS-0058986 [0,2,0,0,0,0|1,0,0]=3 64 B5R0.4 CC(C)(O)CCl CS-0030576 [0,2,0,0,0,0|1,0,0]=3 65 B5R0.4 CC(C)(O)CO CS-W005057 [0,2,0,0,0,0|0,1,0]=3 66 B5R0.4 CC[B-](F)(F)F CS-0044045 [0,2,0,0,0,0|2,0,0]=4 67 B5R0.4 C[Si](C)(C)CI CS-0067163 [0,2,0,0,0,0|1,1,0]=4 68 B5R0.5 C[C@@H](Cl)C(=O)O CS-0022394 [0,2,0,0,0,0|0,1,1]=4 69 B5R0.5 C[C@@H](N)C(N)=O CS-W022738 [0,2,0,0,0,0|0,1,1]=4 70 B5R0.2 BrC\C=C\CBr CS-0017873 [0,2,0,0,0,0|1,0,1]=4 71 B5R0.2 C#CCCCO CS-W011358 [0,2,0,0,0,0|0,1,0]=3 72 B5R0.2 C=CCCCBr CS-W018483 [0,2,0,0,0,0|1,0,0]=3 73 B5R0.2 CNCCNC CS-0020009 [0,2,0,0,0,0|1,0,0]=3 74 B5R0.2 COCCCBr CS-W010945 [0,2,0,0,0,0|0,1,0]=3 75 B5R0.2 COCCCO CS-W020636 [0,2,0,0,0,0|0,1,0]=3 76 B5R0.2 ClCCCCI CS-W019348 [0,2,0,0,0,0|1,0,0]=3 77 B5R0.2 NCCCCBr CS-W005399 [0,2,0,0,0,0|1,0,0]=3 78 B5R0.2 NCCCCF CS-0098954 [0,2,0,0,0,0|1,0,0]=3 79 B5R1.2 BrC1COC1 CS-D1251 [0,1,0,1,0,0|0,1,0]=3 80 B5R1.2 FC1CNC1 CS-W001606 [0,1,0,1,0,0|1,0,0]=3 81 B5R1.2 IC1COC1 CS-W017022 [0,1,0,1,0,0|0,1,0]=3 82 B5R1.2 NC1CCC1 CS-0006655 [0,1,0,1,0,0|1,0,0]=3 83 B5R1.2 NC1COC1 CS-D0204 [0,1,0,1,0,0|0,1,0]=3 84 B5R1.2 NC1COC1 CS-W018946 [0,1,0,1,0,0|0,1,0]=3 85 B5R1.2 O=C1CNC1 CS-W019264 [0,1,0,1,0,0|0,1,1]=4 86 B5R1.2 O=C1COC1 CS-M1912 [0,1,0,1,0,0|0,1,1]=4 87 B5R1.2 O=C1CSC1 CS-B0978 [0,1,0,1,0,0|0,0,1]=3 88 B5R1.2 OC1CCC1 CS-W013758 [0,1,0,1,0,0|0,1,0]=3 89 B5R1.2 OC1COC1 CS-W007362 [0,1,0,1,0,0|0,1,0]=3 90 B5R1.3 BrCC1CC1 CS-W020194 [0,1,0,1,0,0|1,0,0]=3 91 B5R1.3 CNC1CC1 CS-W019814 [0,1,0,1,0,0|1,0,0]=3 92 B5R1.3 ClC[C@H]1CO1 CS-0005957 [0,1,0,1,0,0|0,1,0]=3 93 B5R1.3 [C@@H]1(CO)CO1 CS-W013757 [0,1,0,1,0,0|0,1,0]=3 94 B5R1.1 C1CSCN1 CS-M1684 [0,1,0,1,0,0|0,0,0]=2