0 B4R0.2 C=CCCI BB31-6880 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.2 NCCON BB32-1546 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.1 CC(=O)CCBr BB31-4479 [0,1,0,0,0,0|2,0,0]=3 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|3,0,0]=4 5 B5R0.1 COCC(N)=O BB31-3207 [0,1,0,0,0,0|2,0,0]=3 6 B5R0.1 C[C@H](N)CC#N BB31-5263 [0,1,0,0,0,0|2,0,1]=4 7 B5R0.1 O=C(O)CCF BB32-2513 [0,1,0,0,0,0|2,0,0]=3 8 B5R0.1 O=C(O)\C=C\Br BB31-5400 [0,1,0,0,0,0|2,0,1]=4 9 B5R0.2 C#CCCCBr BB31-4992 [0,1,0,0,0,0|2,0,1]=4 10 B5R0.2 C#CCN=C=O BB58-0507 [0,1,0,0,0,0|1,0,2]=4 11 B5R0.2 C=CCCCI BB31-6966 [0,1,0,0,0,0|2,0,0]=3 12 B5R0.2 C=CCCCN BB31-4446 [0,1,0,0,0,0|2,0,0]=3 13 B5R0.2 CCSCCN BB31-5588 [0,1,0,0,0,0|1,1,1]=4 14 B5R0.2 N#CCCCN BB32-0548 [0,1,0,0,0,0|2,0,1]=4 15 B5R0.2 OCCCCI BB32-2029 [0,1,0,0,0,0|1,0,2]=4 16 B5R0.3 C=C[C@H](N)CO BB32-0951 [0,1,0,0,0,0|3,0,0]=4 17 B5R0.3 CCC(=O)CN BB31-8248 [0,1,0,0,0,0|2,0,1]=4 18 B5R0.3 O=C[C@H](O)CO BB31-6122 [0,1,0,0,0,0|2,0,0]=3 19 B5R1.1 C1CNNC1 BB31-6290 [0,0,0,1,0,0|3,0,0]=4 20 B5R1.1 C1CNOC1 BB31-7828 [0,0,0,1,0,0|2,0,0]=3 21 B5R1.2 CC1CCN1 BB31-0642 [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 B4R0.1 C#C[C@H](C)N BB31-2680 [1,1,0,0,0,0|1,0,1]=4 24 B4R0.1 CC(N)C#N BB31-5240 [1,1,0,0,0,0|1,0,1]=4 25 B6R0.1 CCCC(=O)CCl BB31-4027 [0,2,0,0,0,0|1,0,0]=3 26 B6R0.1 CN(C=O)CCO BB31-3078 [0,2,0,0,0,0|1,0,0]=3 27 B6R0.1 NNC(=O)CCO BB31-4269 [0,2,0,0,0,0|2,0,0]=4 28 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [0,2,0,0,0,0|2,0,0]=4 29 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [0,2,0,0,0,0|1,0,0]=3 30 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [0,2,0,0,0,0|1,0,0]=3 31 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [0,2,0,0,0,0|2,0,0]=4 32 B6R0.4 CC(=O)CCCBr BB31-6000 [0,2,0,0,0,0|1,0,0]=3 33 B6R0.4 CCCCC(=N)N BB31-8730 [0,2,0,0,0,0|2,0,0]=4 34 B6R0.4 COCCC(=N)N BB31-7023 [0,2,0,0,0,0|2,0,0]=4 35 B6R0.4 COCOC(C)=O BB32-2824 [0,2,0,0,0,0|0,0,0]=2 36 B6R0.4 NCCNC(N)=O BB32-3910 [0,2,0,0,0,0|1,0,0]=3 37 B6R0.4 O=[N+]([O-])CCCO BB31-4344 [0,2,0,0,0,0|2,0,0]=4 38 B6R0.6 OCCOCCI BB31-1660 [0,2,0,0,0,0|0,0,2]=4 39 B6R1.2 NC1=NCCO1 BB32-1676 [0,1,0,1,0,0|1,0,0]=3 40 B6R1.2 O=C1C=CCS1 BB32-1702 [0,1,0,1,0,0|0,1,1]=4 41 B6R1.2 O=C1C=CON1 BB32-3109 [0,1,0,1,0,0|0,0,2]=4 42 B6R1.2 O[C@@H]1CNOC1 BB31-5422 [0,1,0,1,0,0|2,0,0]=4 43 B6R1.5 CN1CC(=O)C1 BB31-3564 [0,1,0,1,0,0|2,0,0]=4 44 B6R1.5 O=C1CC(O)C1 BB31-5120 [0,1,0,1,0,0|1,0,0]=3 45 B6R1.11 O=C(O)C1CO1 BB31-6282 [0,1,0,1,0,0|2,0,0]=4 46 B6R1.11 O=C([O-])[C@H]1CO1 BB31-6739 [0,1,0,1,0,0|2,0,0]=4 47 B6R1.1 C1=NCCCN1 BB31-3113 [0,1,0,1,0,0|2,0,0]=4 48 B6R1.1 C1CCONC1 BB31-4954 [0,1,0,1,0,0|1,0,1]=4 49 B6R1.1 C1CNCOC1 BB31-2552 [0,1,0,1,0,0|1,0,1]=4 50 B6R1.6 O=CC1COC1 BB31-1651 [0,1,0,1,0,0|1,0,0]=3