0 B5R0.2 CCSCCN BB31-5588 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.2 OCCCCI BB32-2029 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.1 CCCC(=O)CCl BB31-4027 [0,1,0,0,0,0|3,0,0]=4 3 B6R0.6 CNCCCCCl BB31-7841 [0,1,0,0,0,0|3,0,0]=4 4 B6R0.6 NCCNCCN BB31-4178 [0,1,0,0,0,0|3,0,0]=4 5 B6R0.6 OCCNCCCl BB31-4678 [0,1,0,0,0,0|3,0,0]=4 6 B6R0.6 OCCOCCI BB31-1660 [0,1,0,0,0,0|2,1,0]=4 7 B6R1.1 C1=NCCCN1 BB31-3113 [0,0,0,1,0,0|3,0,0]=4 8 B6R1.1 C1CCONC1 BB31-4954 [0,0,0,1,0,0|1,1,0]=3 9 B6R1.1 C1CNCOC1 BB31-2552 [0,0,0,1,0,0|2,1,0]=4 10 B6R1.2 BrC1CCSC1 BB52-7755 [0,0,0,1,0,0|2,0,0]=3 11 B6R1.2 C[C@@H]1CCNC1 BB31-4239 [0,0,0,1,0,0|2,0,0]=3 12 B6R1.2 C[C@H]1CCNC1 BB31-5082 [0,0,0,1,0,0|2,0,0]=3 13 B6R1.2 Cl[C@H]1CCNC1 BB31-9471 [0,0,0,1,0,0|3,0,0]=4 14 B6R1.2 NC1CCSC1 BB52-7752 [0,0,0,1,0,0|2,0,0]=3 15 B6R1.2 OC1CCSC1 BB52-7751 [0,0,0,1,0,0|2,0,0]=3 16 B6R1.3 BrCCC1CC1 BB31-5305 [0,0,0,1,0,0|3,0,0]=4 17 B6R1.3 CCNC1CC1 BB31-5032 [0,0,0,1,0,0|2,0,0]=3 18 B6R1.3 ICCC1CC1 BB32-1715 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.6 CNC1CCC1 BB31-5108 [0,0,0,1,0,0|3,0,0]=4 20 B6R1.6 OC[C@@H]1CCN1 BB31-7982 [0,0,0,1,0,0|3,0,0]=4 21 B6R1.6 OC[C@H]1CCN1 BB31-4144 [0,0,0,1,0,0|3,0,0]=4 22 B5R0.1 CC(O)CCBr BB32-3029 [1,1,0,0,0,0|2,0,0]=4 23 B5R0.1 COCC(C)Br BB31-8127 [1,1,0,0,0,0|1,1,0]=4 24 B5R0.3 CCC(=O)CN BB31-8248 [1,1,0,0,0,0|2,0,0]=4 25 B7R0.1 CCCNCCOC BB31-6246 [0,2,0,0,0,0|2,0,0]=4 26 B7R0.1 NCCSSCCN BB32-2869 [0,2,0,0,0,0|0,0,0]=2 27 B5R1.1 C1CNNC1 BB31-6290 [1,0,0,1,0,0|2,0,0]=4 28 B5R1.1 C1CNOC1 BB31-7828 [1,0,0,1,0,0|1,1,0]=4 29 B5R1.2 CC1CCN1 BB31-0642 [1,0,0,1,0,0|1,0,0]=3 30 B5R1.2 NC1CSC1 BB31-1853 [1,0,0,1,0,0|2,0,0]=4 31 B7R1.1 CC[C@@H]1CCCN1 BB32-2574 [0,1,0,1,0,0|2,0,0]=4 32 B7R1.1 CN[C@@H]1CCOC1 BB31-1876 [0,1,0,1,0,0|1,1,0]=4 33 B7R1.1 CN[C@H]1CCOC1 BB31-1877 [0,1,0,1,0,0|1,1,0]=4 34 B7R1.1 CO[C@@H]1CCNC1 BB31-1407 [0,1,0,1,0,0|2,0,0]=4 35 B7R1.1 CO[C@H]1CCNC1 BB31-1406 [0,1,0,1,0,0|2,0,0]=4 36 B7R1.1 FC[C@@H]1CCCN1 BB31-6796 [0,1,0,1,0,0|2,0,0]=4 37 B7R1.1 FC[C@@H]1CCNC1 BB31-2793 [0,1,0,1,0,0|2,0,0]=4 38 B7R1.1 NC[C@@H]1CCOC1 BB31-8725 [0,1,0,1,0,0|1,1,0]=4 39 B7R1.1 OCC1CCNC1 BB52-8382 [0,1,0,1,0,0|2,0,0]=4 40 B7R1.1 OC[C@@H]1CCOC1 BB31-1047 [0,1,0,1,0,0|1,1,0]=4 41 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [0,1,0,1,0,0|2,0,0]=4 42 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [0,1,0,1,0,0|2,0,0]=4 43 B7R1.3 CN1CC=CCC1 BB31-7198 [0,1,0,1,0,0|2,0,0]=4 44 B7R1.3 C[C@H]1CCCNC1 BB32-0441 [0,1,0,1,0,0|2,0,0]=4 45 B7R1.3 C[C@H]1CNCCO1 BB31-0582 [0,1,0,1,0,0|1,1,0]=4 46 B7R1.3 IC1CCNCC1 BB32-0018 [0,1,0,1,0,0|2,0,0]=4 47 B7R1.3 N[C@@H]1CCCOC1 BB31-1896 [0,1,0,1,0,0|1,1,0]=4 48 B7R1.3 N[C@H]1CCCOC1 BB31-1067 [0,1,0,1,0,0|1,1,0]=4 49 B7R1.3 OC1CC=CCC1 BB31-4823 [0,1,0,1,0,0|2,0,0]=4 50 B7R1.3 O[C@@H]1CCCOC1 BB31-0149 [0,1,0,1,0,0|1,1,0]=4 51 B7R1.3 S=C1CCCCN1 BB31-1665 [0,1,0,1,0,0|2,0,0]=4 52 B7R1.3 SC1CCCNC1 BB31-1279 [0,1,0,1,0,0|2,0,0]=4 53 B7R1.6 CCNC1COC1 BB32-0308 [0,1,0,1,0,0|2,0,0]=4 54 B7R1.6 CCOC1CNC1 BB32-2240 [0,1,0,1,0,0|1,1,0]=4 55 B7R1.6 OCCN1CCC1 BB31-7265 [0,1,0,1,0,0|2,0,0]=4 56 B7R1.10 CCN1CC(O)C1 BB31-5522 [0,1,0,1,0,0|2,0,0]=4 57 B7R1.22 CCC(N)C1CC1 BB31-5288 [0,1,0,1,0,0|2,0,0]=4 58 B7R1.22 CCC(O)C1CC1 BB32-0693 [0,1,0,1,0,0|2,0,0]=4 59 B7R1.7 OCCNC1CC1 BB32-1964 [0,1,0,1,0,0|2,0,0]=4 60 B7R1.14 CC1(C)CCCN1 BB52-8585 [0,1,0,1,0,0|2,0,0]=4 61 B7R1.14 CC1(C)CCNC1 BB31-5023 [0,1,0,1,0,0|2,0,0]=4 62 B7R1.18 CC(N)C1CCC1 BB31-5264 [0,1,0,1,0,0|2,0,0]=4 63 B7R1.24 C1SSCSSS1 BB31-4535 [0,1,0,1,0,0|2,0,0]=4 64 B7R2.11 C1NC2CC1C2 BB31-5093 [0,0,0,2,0,0|2,0,0]=4