0 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.1 COCC(N)=O BB31-3207 [1,0,0,0,0,0|2,0,1]=4 2 B5R0.1 O=C(O)CCF BB32-2513 [1,0,0,0,0,0|1,0,2]=4 3 B5R0.1 O=C(O)\C=C\Br BB31-5400 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.2 CCC(N)CC(=O)O BB31-5235 [0,1,0,0,0,0|1,0,2]=4 5 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [0,1,0,0,0,0|1,0,2]=4 6 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,1,0,0,0,0|0,0,2]=3 7 B7R1.2 CC1=COC(=S)N1 BB31-1630 [0,0,0,1,0,0|1,1,1]=4 8 B7R1.2 CC1=CSC(Br)=C1 BB32-2597 [0,0,0,1,0,0|1,1,1]=4 9 B7R1.2 CC1=NNC(S)=C1 BB52-7305 [0,0,0,1,0,0|2,1,0]=4 10 B7R1.2 CC1=NOC(Br)=N1 BB17-3013 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [0,0,0,1,0,0|2,0,1]=4 12 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [0,0,0,1,0,0|2,0,1]=4 13 B7R1.2 NC1=CC(=O)CC1 BB31-4485 [0,0,0,1,0,0|2,0,0]=3 14 B7R1.2 NC1=CC(N)=NO1 BB52-2394 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.2 O=C1CC(O)CO1 BB31-5337 [0,0,0,1,0,0|1,0,2]=4 16 B7R1.2 O=C1CNC(=O)C1 BB58-3126 [0,0,0,1,0,0|2,0,1]=4 17 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,0,0,1,0,0|0,0,2]=3 18 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,0,0,1,0,0|0,0,2]=3 19 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [0,0,0,1,0,0|1,0,2]=4 20 B7R1.16 CC1(C)CC(=O)N1 BB32-2836 [0,0,0,1,0,0|1,0,2]=4 21 B5R0.5 CC(=O)C(N)=O BB32-3571 [0,0,0,0,1,0|2,0,0]=3 22 B7R0.6 CC(=O)NNC(C)C BB32-2318 [0,0,0,0,0,1|2,0,1]=4 23 B7R0.6 CC(=O)\C=C\C(=O)O BB31-4699 [0,0,0,0,0,1|1,0,0]=2 24 B7R0.6 CC(N)CCC(=O)O BB31-2419 [0,0,0,0,0,1|1,0,2]=4 25 B6R0.3 C=C[C@H](N)C(=O)O BB31-5208 [1,1,0,0,0,0|0,0,2]=4 26 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [1,1,0,0,0,0|0,0,2]=4 27 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [1,1,0,0,0,0|0,0,2]=4 28 B6R0.5 CC(C)(C)\C=N\O BB32-2942 [1,1,0,0,0,0|1,0,1]=4 29 B8R0.9 COC(=O)CNC(C)=O BB31-6237 [0,1,0,0,0,1|1,0,1]=4 30 B8R0.23 C=C(CC(C)C)C(=O)O BB31-4322 [0,1,0,0,0,1|0,0,1]=3 31 B8R0.23 CC(=O)C(=O)OC(C)C BB31-7341 [0,1,0,0,0,1|1,0,1]=4 32 B8R0.23 CC(=O)C(C)CC(=O)O BB31-6096 [0,1,0,0,0,1|1,0,1]=4 33 B8R0.23 CC(C)[C@H](N)CC(=O)O BB31-7640 [0,1,0,0,0,1|0,0,2]=4 34 B8R0.2 COC(=O)C(C)C(C)=O BB32-0377 [0,2,0,0,0,0|1,0,1]=4 35 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O BB31-6183 [0,2,0,0,0,0|0,0,2]=4 36 B8R0.5 CCC\C(C)=C\C(=O)O BB31-5804 [0,2,0,0,0,0|0,0,0]=2 37 B8R0.16 CCC(CC)CC(=O)O BB32-3031 [0,2,0,0,0,0|0,0,2]=4 38 B8R0.19 COC(=O)N[C@@H](C)CN BB31-0922 [0,2,0,0,0,0|1,0,1]=4 39 B8R0.24 COC(=O)CC(C)(C)O BB32-3552 [0,2,0,0,0,0|0,0,2]=4 40 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O BB31-7670 [0,2,0,0,0,0|0,0,2]=4 41 B8R0.27 CC(C)(C)[C@H](O)C(=O)O BB31-5424 [0,2,0,0,0,0|0,0,2]=4 42 B8R0.27 CC(C)(O)[C@H](N)C(=O)O BB31-5147 [0,2,0,0,0,0|0,0,2]=4 43 B8R0.18 CC(C)=C(C#N)C(=O)O BB31-5676 [0,2,0,0,0,0|0,0,0]=2 44 B8R0.18 CC(C)[C@@H](CN)C(=O)O BB31-3788 [0,2,0,0,0,0|0,0,2]=4 45 B8R0.18 CC(C)[C@H](CN)C(=O)O BB31-1792 [0,2,0,0,0,0|0,0,2]=4 46 B6R1.2 O=C1C=CCS1 BB32-1702 [1,0,0,1,0,0|0,1,0]=3 47 B6R1.2 O=C1C=CON1 BB32-3109 [1,0,0,1,0,0|2,0,0]=4 48 B6R1.5 CN1CC(=O)C1 BB31-3564 [1,0,0,1,0,0|1,0,1]=4 49 B6R1.11 O=C(O)C1CO1 BB31-6282 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.51 CC1(C)CCC(=O)O1 BB31-8004 [0,0,0,1,0,1|0,0,2]=4 51 B8R1.1 CC1=CC(CN)=NO1 BB54-4118 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.1 CC1=NOC(CO)=C1 BB31-2615 [0,1,0,1,0,0|1,0,1]=4 53 B8R1.1 COC1=CC(=O)CC1 BB31-5801 [0,1,0,1,0,0|1,0,0]=3 54 B8R1.1 O=C1N[C@@H](CI)CO1 BB31-2803 [0,1,0,1,0,0|1,0,1]=4 55 B8R1.1 O=C1N[C@H](CO)CO1 BB31-1953 [0,1,0,1,0,0|1,0,1]=4 56 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [0,1,0,1,0,0|1,0,1]=4 57 B8R1.4 C[C@@H]1COCC(=O)N1 BB31-1397 [0,1,0,1,0,0|1,0,1]=4 58 B8R1.18 CC1=CC(=O)NN1C BB32-2100 [0,1,0,1,0,0|1,0,0]=3 59 B8R1.18 CC1=CC(Cl)=NN1C BB32-2909 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.18 CN1NC(=O)C=C1N BB32-2826 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.31 CC1CCC1C(=O)O BB31-4909 [0,1,0,1,0,0|0,0,2]=4 62 B8R1.34 O=C(O)CC1COC1 BB31-1686 [0,1,0,1,0,0|0,0,2]=4 63 B8R1.40 COC(=O)CC1CC1 BB32-1998 [0,1,0,1,0,0|0,0,2]=4 64 B8R1.50 CC1=C(Br)C(=O)NO1 BB31-0111 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.50 CC1=NOC(N)=C1Br BB54-5504 [0,1,0,1,0,0|2,0,0]=4 66 B8R1.50 CN1CCC(=O)C1=O BB32-2163 [0,1,0,1,0,0|2,0,0]=4