0 B4R0.1 C#C[C@H](C)N BB31-2680 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 CC(N)C#N BB31-5240 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 OCC(Cl)Cl BB31-5600 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC(O)CCBr BB32-3029 [0,1,0,0,0,0|2,0,1]=4 4 B5R0.1 COCC(C)Br BB31-8127 [0,1,0,0,0,0|1,0,2]=4 5 B5R0.1 C[C@H](N)CC#N BB31-5263 [0,1,0,0,0,0|2,0,1]=4 6 B5R0.3 C=C[C@H](N)CO BB32-0951 [0,1,0,0,0,0|2,0,0]=3 7 B5R0.3 CC(CO)CBr BB31-7772 [0,1,0,0,0,0|0,0,2]=3 8 B5R0.3 CO[C@@H](C)CO BB31-0453 [0,1,0,0,0,0|0,0,2]=3 9 B5R0.3 NCC(Br)CBr BB31-7157 [0,1,0,0,0,0|2,0,1]=4 10 B5R0.3 NCC(O)CCl BB31-4889 [0,1,0,0,0,0|2,0,1]=4 11 B5R0.3 O=C[C@H](O)CO BB31-6122 [0,1,0,0,0,0|1,0,0]=2 12 B5R0.4 CC(C)(F)CN BB31-5316 [0,1,0,0,0,0|1,0,1]=3 13 B5R0.5 CC(=O)C(N)=O BB32-3571 [0,1,0,0,0,0|1,0,1]=3 14 B5R1.2 BrC1CNC1 BB31-5774 [0,0,0,1,0,0|2,0,1]=4 15 B5R1.2 CC1CCN1 BB31-0642 [0,0,0,1,0,0|2,0,0]=3 16 B5R1.2 ClC1CNC1 BB31-7993 [0,0,0,1,0,0|2,0,1]=4 17 B5R1.2 NC1CSC1 BB31-1853 [0,0,0,1,0,0|1,1,1]=4 18 B5R1.2 SC1CNC1 BB31-3722 [0,0,0,1,0,0|2,0,1]=4 19 B5R1.4 N[C@@H]1C[C@@H]1F BB31-2658 [0,0,0,1,0,0|2,0,1]=4 20 B5R1.4 N[C@@H]1C[C@H]1N BB32-1814 [0,0,0,1,0,0|2,0,1]=4 21 B5R1.4 N[C@H]1C[C@H]1N BB32-3586 [0,0,0,1,0,0|2,0,1]=4 22 B2R0.1 CNN BB32-2724 [2,0,0,0,0,0|2,0,0]=4 23 B4R0.2 C=CCCI BB31-6880 [1,1,0,0,0,0|1,0,0]=3 24 B4R0.2 NCCON BB32-1546 [1,1,0,0,0,0|2,0,0]=4 25 B6R0.1 C=CC(O)CC#N BB32-1252 [0,2,0,0,0,0|2,0,0]=4 26 B6R0.1 CN(C=O)CCO BB31-3078 [0,2,0,0,0,0|1,0,0]=3 27 B6R0.1 C[C@@H](CO)CCN BB31-5417 [0,2,0,0,0,0|0,0,2]=4 28 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [0,2,0,0,0,0|0,0,1]=3 29 B6R0.3 C=C[C@H](N)C(=O)O BB31-5208 [0,2,0,0,0,0|1,0,1]=4 30 B6R0.3 CC(C#N)C(=O)O BB32-3033 [0,2,0,0,0,0|0,0,1]=3 31 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [0,2,0,0,0,0|0,0,0]=2 32 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [0,2,0,0,0,0|1,0,0]=3 33 B6R0.3 CN(C)C(=O)CI BB31-8712 [0,2,0,0,0,0|1,0,0]=3 34 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [0,2,0,0,0,0|1,0,0]=3 35 B6R0.5 CC(C)(C)CCN BB31-4614 [0,2,0,0,0,0|1,0,1]=4 36 B6R0.5 CC(C)(C)\C=N\O BB32-2942 [0,2,0,0,0,0|0,0,1]=3 37 B6R0.5 COCC(C)(C)N BB31-4342 [0,2,0,0,0,0|0,0,2]=4 38 B6R0.8 CC(C)(CBr)CBr BB32-2264 [0,2,0,0,0,0|1,0,1]=4 39 B6R0.9 CCC(C#N)CC BB32-3543 [0,2,0,0,0,0|1,0,1]=4 40 B6R0.9 CCC(CC)NC BB31-6271 [0,2,0,0,0,0|1,0,1]=4 41 B6R0.9 CCC(CC)NN BB31-5111 [0,2,0,0,0,0|2,0,0]=4 42 B6R1.2 C[C@@H]1CCNC1 BB31-4239 [0,1,0,1,0,0|1,0,1]=4 43 B6R1.2 C[C@H]1CCNC1 BB31-5082 [0,1,0,1,0,0|1,0,1]=4 44 B6R1.3 BrCCC1CC1 BB31-5305 [0,1,0,1,0,0|1,0,1]=4 45 B6R1.3 CCNC1CC1 BB31-5032 [0,1,0,1,0,0|1,0,1]=4 46 B6R1.3 ICCC1CC1 BB32-1715 [0,1,0,1,0,0|1,0,1]=4 47 B6R1.3 NNCC1CC1 BB31-6121 [0,1,0,1,0,0|1,0,1]=4 48 B6R1.3 NNCC1CC1 BB31-9304 [0,1,0,1,0,0|1,0,1]=4 49 B6R1.3 NOCC1CC1 BB31-6884 [0,1,0,1,0,0|0,0,2]=4 50 B6R1.5 CN1CC(=O)C1 BB31-3564 [0,1,0,1,0,0|1,0,0]=3 51 B6R1.5 O=C1CC(O)C1 BB31-5120 [0,1,0,1,0,0|1,0,0]=3 52 B6R1.10 CC1(C)CCN1 BB31-8862 [0,1,0,1,0,0|1,0,1]=4 53 B6R1.10 CC1(N)CNC1 BB31-1091 [0,1,0,1,0,0|1,0,1]=4 54 B6R1.11 O=C(O)C1CO1 BB31-6282 [0,1,0,1,0,0|1,0,0]=3 55 B6R1.11 O=C([O-])[C@H]1CO1 BB31-6739 [0,1,0,1,0,0|1,0,0]=3 56 B6R1.6 BrCC1COC1 BB31-2069 [0,1,0,1,0,0|0,0,2]=4 57 B6R1.6 CNC1CCC1 BB31-5108 [0,1,0,1,0,0|1,0,1]=4 58 B6R1.6 COC1CNC1 BB51-2847 [0,1,0,1,0,0|1,0,1]=4 59 B6R1.6 CSC1CNC1 BB31-2729 [0,1,0,1,0,0|1,0,1]=4 60 B6R1.6 N#CC1COC1 BB31-5311 [0,1,0,1,0,0|1,0,1]=4 61 B6R1.6 NNC1CCC1 BB31-0660 [0,1,0,1,0,0|2,0,0]=4 62 B6R1.6 O=CC1COC1 BB31-1651 [0,1,0,1,0,0|0,0,0]=2 63 B6R1.6 OC[C@@H]1CCN1 BB31-7982 [0,1,0,1,0,0|0,0,2]=4 64 B6R1.6 OC[C@H]1CCN1 BB31-4144 [0,1,0,1,0,0|0,0,2]=4 65 B6R1.7 C#CC1(N)CC1 BB31-1600 [0,1,0,1,0,0|1,0,1]=4 66 B6R1.7 CC1(CN)CC1 BB31-1478 [0,1,0,1,0,0|1,0,1]=4 67 B6R1.7 CCC1(N)CC1 BB31-3439 [0,1,0,1,0,0|1,0,1]=4 68 B6R1.7 NC1(CF)CC1 BB31-5308 [0,1,0,1,0,0|1,0,1]=4 69 B6R1.7 OCC1(Br)CC1 BB32-2844 [0,1,0,1,0,0|0,0,2]=4 70 B6R1.7 OCC1(F)CC1 BB32-0673 [0,1,0,1,0,0|0,0,2]=4