0 B5R0.5 CC(=O)C(N)=O BB32-3571 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.3 C=C[C@H](N)C(=O)O BB31-5208 [0,1,0,0,0,0|1,0,2]=4 2 B6R0.3 CC(C#N)C(=O)O BB32-3033 [0,1,0,0,0,0|1,0,1]=3 3 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [0,1,0,0,0,0|1,0,1]=3 4 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [0,1,0,0,0,0|0,0,2]=3 5 B6R0.3 CN(C)C(=O)CI BB31-8712 [0,1,0,0,0,0|3,0,0]=4 6 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [0,1,0,0,0,0|1,0,1]=3 7 B6R1.11 O=C(O)C1CO1 BB31-6282 [0,0,0,1,0,0|0,0,2]=3 8 B6R1.11 O=C([O-])[C@H]1CO1 BB31-6739 [0,0,0,1,0,0|0,0,3]=4 9 B5R0.1 CC(=O)CCBr BB31-4479 [1,1,0,0,0,0|1,0,1]=4 10 B5R0.1 COCC(N)=O BB31-3207 [1,1,0,0,0,0|1,0,1]=4 11 B5R0.1 O=C(O)CCF BB32-2513 [1,1,0,0,0,0|0,0,1]=3 12 B5R0.1 O=C(O)\C=C\Br BB31-5400 [1,1,0,0,0,0|0,0,1]=3 13 B5R0.3 CCC(=O)CN BB31-8248 [1,1,0,0,0,0|1,0,1]=4 14 B5R0.3 O=C[C@H](O)CO BB31-6122 [1,1,0,0,0,0|0,0,2]=4 15 B7R0.2 CCC(N)CC(=O)O BB31-5235 [0,1,0,0,0,1|1,0,1]=4 16 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [0,1,0,0,0,1|1,0,1]=4 17 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,1,0,0,0,1|1,0,1]=4 18 B7R0.5 NCCC(F)C(=O)O BB31-4428 [0,2,0,0,0,0|1,0,1]=4 19 B7R0.10 COC(=O)C(C)CN BB31-6417 [0,2,0,0,0,0|1,0,1]=4 20 B7R0.10 COC(=O)[C@@H](C)CBr BB31-6195 [0,2,0,0,0,0|1,0,1]=4 21 B7R0.10 C\C=C(/Br)C(=O)OC BB31-3618 [0,2,0,0,0,0|1,0,0]=3 22 B7R0.13 CC(=O)C(C)(C)CO BB32-0806 [0,2,0,0,0,0|1,0,1]=4 23 B7R0.13 CC(C)(CN)C(=O)O BB31-3976 [0,2,0,0,0,0|1,0,1]=4 24 B7R0.13 CC(C)(CN)C(=O)O BB31-5761 [0,2,0,0,0,0|1,0,1]=4 25 B7R0.13 C[C@@](N)(CO)C(=O)O BB31-6838 [0,2,0,0,0,0|0,0,2]=4 26 B7R0.13 NCC(F)(F)C(=O)O BB31-0714 [0,2,0,0,0,0|1,0,1]=4 27 B7R0.13 NCC(F)(F)C(=O)O BB32-1782 [0,2,0,0,0,0|1,0,1]=4 28 B7R0.14 CC(C)(C)C(=O)CO BB32-2137 [0,2,0,0,0,0|1,0,1]=4 29 B7R0.15 CN[C@@H](CO)C(=O)O BB31-9937 [0,2,0,0,0,0|0,0,2]=4 30 B7R0.15 NC[C@H](CO)C(=O)O BB31-2226 [0,2,0,0,0,0|0,0,2]=4 31 B7R1.2 CC1=COC(=S)N1 BB31-1630 [0,0,0,1,0,1|1,1,0]=4 32 B7R1.2 CC1=NOC(Br)=N1 BB17-3013 [0,0,0,1,0,1|2,0,0]=4 33 B7R1.2 NC1=CC(=O)CC1 BB31-4485 [0,0,0,1,0,1|2,0,0]=4 34 B7R1.2 O=C1CC(O)CO1 BB31-5337 [0,0,0,1,0,1|0,0,2]=4 35 B7R1.2 O=C1CCC(O)C1 BB31-4994 [0,0,0,1,0,1|1,0,1]=4 36 B7R1.2 O=C1CNC(=O)C1 BB58-3126 [0,0,0,1,0,1|1,0,0]=3 37 B7R1.2 O=C1CSC(=S)N1 BB52-8577 [0,0,0,1,0,1|0,2,0]=4 38 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,0,0,1,0,1|1,0,1]=4 39 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,0,0,1,0,1|1,0,1]=4 40 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [0,0,0,1,0,1|1,0,1]=4 41 B7R1.4 CC1=C(C)OC=N1 BB31-4084 [0,1,0,1,0,0|2,0,0]=4 42 B7R1.4 CC1=NOC=C1N BB32-1826 [0,1,0,1,0,0|2,0,0]=4 43 B7R1.4 NC1CCOC1=O BB52-6516 [0,1,0,1,0,0|1,0,1]=4 44 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [0,1,0,1,0,0|1,0,0]=3 45 B7R1.18 O=C(O)C1COC1 BB31-0382 [0,1,0,1,0,0|0,0,2]=4 46 B7R1.19 O=C(O)C1(Br)CC1 BB31-8489 [0,1,0,1,0,0|1,0,1]=4 47 B7R0.6 CC(=O)NCC(C)O BB31-7690 [0,0,0,0,0,2|1,0,1]=4 48 B7R0.6 CC(=O)\C=C\C(=O)O BB31-4699 [0,0,0,0,0,2|0,0,0]=2 49 B7R0.6 CC(N)CCC(=O)O BB31-2419 [0,0,0,0,0,2|1,0,1]=4