0 B4R0.1 C#CC(=C)C BB54-0485 [0,0,0,0,0,0|1,0,3]=4 1 B4R0.1 CC(C)NN BB54-0473 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 CC(N)CO BB01-7506 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.1 C[C@H](N)CO BB20-1224 [0,0,0,0,0,0|1,0,2]=3 4 B4R0.1 C\C(N)=N\O BB53-1937 [0,0,0,0,0,0|2,0,2]=4 5 B3R0.1 CNOC BB01-7679 [1,0,0,0,0,0|3,0,0]=4 6 B3R0.1 NNC=O BB12-2770 [1,0,0,0,0,0|2,0,0]=3 7 B3R0.1 N\C=N/O BB12-3512 [1,0,0,0,0,0|3,0,0]=4 8 B3R0.1 [C-]#[N+]CC BB56-1802 [1,0,0,0,0,0|2,0,0]=3 9 B3R0.2 CS(=O)[O-] BB12-1172 [1,0,0,0,0,0|2,0,0]=3 10 B3R0.2 N[13C](N)=O BB54-5648 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 CC(N)CCO BB57-1076 [0,1,0,0,0,0|1,0,2]=4 12 B5R0.1 CC(O)CNN BB58-3435 [0,1,0,0,0,0|2,0,1]=4 13 B5R0.1 CNCC(C)O BB12-1288 [0,1,0,0,0,0|2,0,1]=4 14 B5R0.3 CC(C#N)CCl BB01-7479 [0,1,0,0,0,0|1,0,1]=3 15 B5R0.3 CC(CN)CO BB57-2245 [0,1,0,0,0,0|0,0,2]=3 16 B5R0.3 CCC(C)NC BB53-1672 [0,1,0,0,0,0|1,0,1]=3 17 B5R0.3 CNC(C)CO BB12-1570 [0,1,0,0,0,0|0,0,2]=3 18 B5R0.3 COC(C)C#N BB57-3722 [0,1,0,0,0,0|1,0,1]=3 19 B5R0.3 COC(C)CN BB55-4647 [0,1,0,0,0,0|1,0,1]=3 20 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [0,1,0,0,0,0|2,0,0]=3 21 B5R0.4 C#CC(C)(C)N BB54-0057 [0,1,0,0,0,0|1,0,1]=3 22 B5R0.4 CC(C)(C)NN BB01-7814 [0,1,0,0,0,0|2,0,0]=3 23 B5R0.4 CC(C)(N)C#N BB55-6333 [0,1,0,0,0,0|1,0,1]=3 24 B5R0.4 CC(C)(N)CO BB17-0635 [0,1,0,0,0,0|0,0,2]=3 25 B5R0.4 CC(C)(O)CBr BB58-5360 [0,1,0,0,0,0|1,0,1]=3 26 B5R0.5 CC(C)C(=N)N BB20-1445 [0,1,0,0,0,0|1,0,0]=2 27 B5R0.5 CC(Cl)C(N)=O BB12-1307 [0,1,0,0,0,0|1,0,0]=2 28 B5R0.5 CC(O)C(=N)N BB58-0260 [0,1,0,0,0,0|2,0,0]=3 29 B5R0.5 CN(C)C(=N)N BB58-1392 [0,1,0,0,0,0|2,0,0]=3 30 B5R1.3 FCC1CO1 BB57-4956 [0,0,0,1,0,0|2,0,1]=4 31 B5R1.5 CC1(N)CC1 BB58-0060 [0,0,0,1,0,0|2,0,1]=4 32 B4R0.2 CCCNN BB58-2805 [1,1,0,0,0,0|1,0,1]=4 33 B4R0.2 CNCCCl BB57-4776 [1,1,0,0,0,0|1,0,1]=4 34 B4R0.2 CNCCI BB57-4692 [1,1,0,0,0,0|1,0,1]=4 35 B4R0.2 CSCCCl BB53-1396 [1,1,0,0,0,0|1,0,1]=4 36 B4R0.2 CSCCN BB12-0970 [1,1,0,0,0,0|1,0,1]=4 37 B6R0.1 CC(CN)CCN BB12-1906 [0,2,0,0,0,0|1,0,1]=4 38 B6R0.1 CCNC(C)CO BB12-1659 [0,2,0,0,0,0|0,0,2]=4 39 B6R0.1 CCOC(C)CN BB57-2923 [0,2,0,0,0,0|1,0,1]=4 40 B6R0.1 CNC(C)CCO BB05-4613 [0,2,0,0,0,0|0,0,2]=4 41 B6R0.1 CNC(C)CCO BB12-1373 [0,2,0,0,0,0|0,0,2]=4 42 B6R0.1 CNCC(C)OC BB55-4648 [0,2,0,0,0,0|1,0,1]=4 43 B6R0.1 COC(C)CCN BB57-3649 [0,2,0,0,0,0|1,0,1]=4 44 B6R0.1 COCC(C)C#N BB55-7988 [0,2,0,0,0,0|1,0,1]=4 45 B6R0.2 CC(C)=CC(=O)O BB01-7468 [0,2,0,0,0,0|0,0,1]=3 46 B6R0.2 CC(C)NC(N)=O BB01-7616 [0,2,0,0,0,0|0,0,0]=2 47 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,2,0,0,0,0|1,0,0]=3 48 B6R0.2 O=C(O)CC(F)F BB31-2950 [0,2,0,0,0,0|2,0,0]=4 49 B6R0.3 CC(C#N)N(C)C BB57-2435 [0,2,0,0,0,0|1,0,1]=4 50 B6R0.3 CC(C)C(=N)NN BB58-0378 [0,2,0,0,0,0|1,0,0]=3 51 B6R0.3 CC(C)C(=O)NN BB12-1583 [0,2,0,0,0,0|0,0,0]=2 52 B6R0.3 CC(C)C(N)CO BB01-7497 [0,2,0,0,0,0|0,0,2]=4 53 B6R0.3 CC(C)C(O)C#N BB57-3716 [0,2,0,0,0,0|0,0,2]=4 54 B6R0.3 CC(C)C(O)CN BB58-1333 [0,2,0,0,0,0|0,0,2]=4 55 B6R0.3 CC(C)\C(N)=N\O BB53-1938 [0,2,0,0,0,0|0,0,1]=3 56 B6R0.3 CC(CN)N(C)C BB12-3256 [0,2,0,0,0,0|1,0,1]=4 57 B6R0.3 CC(CO)[N+](=O)[O-] BB12-1675 [0,2,0,0,0,0|1,0,0]=3 58 B6R0.3 CC(O)\C(N)=N\O BB57-3710 [0,2,0,0,0,0|1,0,1]=4 59 B6R0.3 CCC(Br)C(N)=O BB55-8830 [0,2,0,0,0,0|1,0,0]=3 60 B6R0.3 CN(C)C(=O)CBr BB57-2931 [0,2,0,0,0,0|1,0,0]=3 61 B6R0.3 CN(C)C(=O)CO BB12-3698 [0,2,0,0,0,0|1,0,0]=3 62 B6R0.3 CN(C)C(=O)NN BB12-2766 [0,2,0,0,0,0|1,0,0]=3 63 B6R0.3 CNC(=O)C(C)Br BB12-1295 [0,2,0,0,0,0|1,0,0]=3 64 B6R0.3 CNC(=O)C(C)Cl BB55-4738 [0,2,0,0,0,0|1,0,0]=3 65 B6R0.3 CNC(=O)[C@@H](C)N BB32-0279 [0,2,0,0,0,0|1,0,0]=3 66 B6R0.3 CNC(C)C(=O)O BB57-2982 [0,2,0,0,0,0|0,0,0]=2 67 B6R0.3 COC(=N)C(C)C BB12-3132 [0,2,0,0,0,0|0,0,1]=3 68 B6R0.3 COC(=O)N(C)N BB12-2783 [0,2,0,0,0,0|2,0,0]=4 69 B6R0.3 COC(C)C(=O)O BB57-2927 [0,2,0,0,0,0|0,0,0]=2 70 B6R0.3 CSC(C)C(=O)O BB12-2671 [0,2,0,0,0,0|0,0,0]=2 71 B6R0.3 N#CC(N)C(N)=O BB54-0378 [0,2,0,0,0,0|1,0,1]=4 72 B6R0.3 NC(CCl)C(=O)O BB57-2456 [0,2,0,0,0,0|1,0,0]=3 73 B6R0.3 NNC(=O)C(F)F BB58-4045 [0,2,0,0,0,0|2,0,0]=4 74 B6R0.3 O=C(O)C(O)CCl BB57-6579 [0,2,0,0,0,0|1,0,0]=3 75 B6R0.4 C=CCNC(C)C BB12-1319 [0,2,0,0,0,0|1,0,0]=3 76 B6R0.4 CC(C)CN=C=O BB01-8145 [0,2,0,0,0,0|0,0,1]=3 77 B6R0.4 CC(C)SCCCl BB53-1373 [0,2,0,0,0,0|1,0,1]=4 78 B6R0.4 CC(C)SCCN BB53-1544 [0,2,0,0,0,0|1,0,1]=4 79 B6R0.4 CC(C)SCCO BB53-1392 [0,2,0,0,0,0|0,0,2]=4 80 B6R0.5 C(=O)NC(C)(C)C BB20-3385 [0,2,0,0,0,0|0,0,0]=2 81 B6R0.5 CC(C)(O)CC#N BB57-2240 [0,2,0,0,0,0|1,0,1]=4 82 B6R0.5 CC(C)(O)CCN BB57-2241 [0,2,0,0,0,0|1,0,1]=4 83 B6R0.5 CC(C)(O)CNN BB58-0368 [0,2,0,0,0,0|1,0,1]=4 84 B6R0.5 CNCC(C)(C)C BB57-2938 [0,2,0,0,0,0|1,0,1]=4 85 B6R0.5 CNCC(C)(C)O BB58-0276 [0,2,0,0,0,0|1,0,1]=4 86 B6R0.5 COCC(C)(C)N BB53-1697 [0,2,0,0,0,0|0,0,2]=4 87 B6R0.8 C#CC(C)(C)OC BB54-2813 [0,2,0,0,0,0|1,0,1]=4 88 B6R0.8 C#CC(C)(N)CC BB54-0427 [0,2,0,0,0,0|1,0,1]=4 89 B6R0.8 C#CC(C)(O)CC BB54-0603 [0,2,0,0,0,0|1,0,1]=4 90 B6R0.8 C=CC(C)(C)CO BB57-4301 [0,2,0,0,0,0|1,0,0]=3 91 B6R0.8 CC(C)(C#N)CO BB57-1057 [0,2,0,0,0,0|0,0,2]=4 92 B6R0.8 CC(C)(CN)CO BB57-1061 [0,2,0,0,0,0|0,0,2]=4 93 B6R0.8 CCC(C)(N)CC BB58-0626 [0,2,0,0,0,0|1,0,1]=4 94 B6R0.8 CCC(C)(N)CO BB56-2220 [0,2,0,0,0,0|0,0,2]=4 95 B6R0.8 CCC(C)(O)C#N BB58-5232 [0,2,0,0,0,0|1,0,1]=4 96 B6R0.8 CCC(C)(O)CN BB58-5227 [0,2,0,0,0,0|1,0,1]=4 97 B6R0.8 COC(C)(C)CN BB55-4624 [0,2,0,0,0,0|1,0,1]=4 98 B6R0.9 CCC(C#N)NC BB12-1702 [0,2,0,0,0,0|1,0,1]=4 99 B6R0.7 CC(=O)C(C)(C)N BB54-1822 [0,2,0,0,0,0|0,0,0]=2 100 B6R0.7 CC(C)(Br)C(N)=O BB55-8836 [0,2,0,0,0,0|0,0,0]=2 101 B6R0.7 CC(C)(N)C(N)=O BB57-1099 [0,2,0,0,0,0|0,0,0]=2 102 B6R0.7 CC(C)C(C)(C)N BB58-0627 [0,2,0,0,0,0|1,0,1]=4 103 B6R0.7 CC(N)C(C)(C)C BB55-1061 [0,2,0,0,0,0|1,0,1]=4 104 B6R1.3 CC#CC1CC1 BB12-2979 [0,1,0,1,0,0|1,0,1]=4 105 B6R1.3 CCNC1CC1 BB57-0155 [0,1,0,1,0,0|1,0,1]=4 106 B6R1.3 CNCC1CC1 BB55-8900 [0,1,0,1,0,0|1,0,1]=4 107 B6R1.3 NNCC1CC1 BB58-1934 [0,1,0,1,0,0|1,0,1]=4 108 B6R1.3 S=C=NC1CC1 BB53-1314 [0,1,0,1,0,0|0,1,1]=4 109 B6R1.10 CC1(N)CCC1 BB57-6091 [0,1,0,1,0,0|1,0,1]=4 110 B6R1.11 CC(N)C1CC1 BB05-4551 [0,1,0,1,0,0|1,0,1]=4 111 B6R1.11 CC(N)C1CC1 BB55-7032 [0,1,0,1,0,0|1,0,1]=4 112 B6R1.11 N=C(N)C1CC1 BB53-1675 [0,1,0,1,0,0|1,0,0]=3 113 B6R1.11 NC(=S)C1CC1 BB12-3485 [0,1,0,1,0,0|0,1,0]=3 114 B6R1.6 CNC1CCC1 BB58-0080 [0,1,0,1,0,0|1,0,1]=4 115 B6R1.6 NCC1CCC1 BB12-1679 [0,1,0,1,0,0|1,0,1]=4 116 B6R1.7 CC1(CN)CC1 BB58-3753 [0,1,0,1,0,0|1,0,1]=4 117 B6R1.7 CCC1(N)CC1 BB58-3768 [0,1,0,1,0,0|1,0,1]=4