0 B5R0.3 CCC(=O)CN BB31-8248 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 CO[C@@H](C)CO BB31-0453 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.3 O=C[C@H](O)CO BB31-6122 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 CN(C=O)CCO BB31-3078 [0,1,0,0,0,0|1,0,1]=3 4 B6R0.3 C=C[C@H](N)C(=O)O BB31-5208 [0,1,0,0,0,0|1,0,2]=4 5 B6R0.3 CC(C#N)C(=O)O BB32-3033 [0,1,0,0,0,0|1,0,2]=4 6 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [0,1,0,0,0,0|0,0,2]=3 7 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [0,1,0,0,0,0|1,0,2]=4 8 B6R1.2 CC1=CNN=C1 BB32-2485 [0,0,0,1,0,0|2,0,0]=3 9 B6R1.2 NC1=CON=C1 BB31-8719 [0,0,0,1,0,0|2,0,1]=4 10 B6R1.2 O=C1C=CCS1 BB32-1702 [0,0,0,1,0,0|3,0,0]=4 11 B6R1.6 O=CC1COC1 BB31-1651 [0,0,0,1,0,0|1,0,2]=4 12 B5R0.1 CC(=O)CCBr BB31-4479 [1,1,0,0,0,0|0,0,1]=3 13 B5R0.1 COCC(N)=O BB31-3207 [1,1,0,0,0,0|1,0,1]=4 14 B5R0.1 O=C(O)CCF BB32-2513 [1,1,0,0,0,0|1,0,1]=4 15 B5R0.1 O=C(O)\C=C\Br BB31-5400 [1,1,0,0,0,0|1,0,1]=4 16 B5R0.5 CC(=O)C(N)=O BB32-3571 [1,1,0,0,0,0|1,0,0]=3 17 B7R0.5 CC(CCO)C(N)=O BB31-7816 [0,2,0,0,0,0|0,0,2]=4 18 B7R0.10 C\C=C(/Br)C(=O)OC BB31-3618 [0,2,0,0,0,0|1,0,0]=3 19 B7R0.15 CN[C@@H](CO)C(=O)O BB31-9937 [0,2,0,0,0,0|1,0,1]=4 20 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,2,0,0,0,0|0,0,2]=4 21 B7R1.1 BrCC1=CCCC1 BB32-3867 [0,1,0,1,0,0|1,0,1]=4 22 B7R1.1 COC1=CNN=C1 BB31-2855 [0,1,0,1,0,0|2,0,0]=4 23 B7R1.1 NCC1=CNN=C1 BB31-0537 [0,1,0,1,0,0|2,0,0]=4 24 B7R1.1 O=CC1=CN=CO1 BB31-8199 [0,1,0,1,0,0|1,0,1]=4 25 B7R1.1 O=CC1=CSN=N1 BB31-4453 [0,1,0,1,0,0|2,0,0]=4 26 B7R1.1 O=CC1=NC=CO1 BB31-4873 [0,1,0,1,0,0|1,0,1]=4 27 B7R1.2 CC1=CN=C(Cl)N1 BB52-6879 [0,1,0,1,0,0|2,0,0]=4 28 B7R1.2 CC1=COC(=S)N1 BB31-1630 [0,1,0,1,0,0|1,0,1]=4 29 B7R1.2 CC1=CSC(Br)=C1 BB32-2597 [0,1,0,1,0,0|0,1,1]=4 30 B7R1.2 CC1=CSC(Br)=N1 BB52-6860 [0,1,0,1,0,0|1,1,0]=4 31 B7R1.2 CC1=CSC(Cl)=N1 BB52-6861 [0,1,0,1,0,0|1,1,0]=4 32 B7R1.2 CC1=NC(Br)=CN1 BB52-6869 [0,1,0,1,0,0|2,0,0]=4 33 B7R1.2 CC1=NC=C(N)S1 BB31-6356 [0,1,0,1,0,0|2,0,0]=4 34 B7R1.2 CN1C=CC(N)=C1 BB31-0815 [0,1,0,1,0,0|2,0,0]=4 35 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [0,1,0,1,0,0|0,0,2]=4 36 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [0,1,0,1,0,0|0,0,2]=4 37 B7R1.2 NC1=CC(=O)CC1 BB31-4485 [0,1,0,1,0,0|1,0,1]=4 38 B7R1.2 O=C1CNC(=O)C1 BB58-3126 [0,1,0,1,0,0|2,0,0]=4 39 B7R1.2 O=C1CSC(=S)N1 BB52-8577 [0,1,0,1,0,0|2,0,0]=4 40 B7R1.3 CC1=CCNCC1 BB31-4858 [0,1,0,1,0,0|1,0,1]=4 41 B7R1.4 CC1=C(Br)C=NO1 BB32-3633 [0,1,0,1,0,0|1,0,1]=4 42 B7R1.4 CC1=C(C)OC=N1 BB31-4084 [0,1,0,1,0,0|0,0,1]=3 43 B7R1.4 CC1=C(I)C=NO1 BB31-6971 [0,1,0,1,0,0|1,0,1]=4 44 B7R1.4 CC1=C(N)SC=N1 BB32-3887 [0,1,0,1,0,0|1,1,0]=4 45 B7R1.4 CC1=NNC=C1N BB31-0891 [0,1,0,1,0,0|2,0,0]=4 46 B7R1.4 CC1=NOC=C1N BB32-1826 [0,1,0,1,0,0|1,0,1]=4 47 B7R1.4 CN1C=CNC1=O BB31-4937 [0,1,0,1,0,0|1,0,1]=4 48 B7R1.10 COC1CC(=O)C1 BB31-4629 [0,1,0,1,0,0|1,0,1]=4 49 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,1,0,1,0,0|0,0,2]=4 50 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,1,0,1,0,0|0,0,2]=4 51 B7R1.18 CC(=O)N1CCC1 BB32-2755 [0,1,0,1,0,0|1,0,1]=4 52 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [0,1,0,1,0,0|0,0,0]=2 53 B7R1.19 CC1(C(N)=O)CC1 BB31-3052 [0,1,0,1,0,0|0,0,2]=4