0 B4R0.1 CC(C)NN ALBB-031747 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 CC(O)C#N ALBB-027949 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 CCS(=O)[O-] ALBB-026504 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 COC(C)=N ALBB-033133 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 NC(=O)CO ALBB-031510 [0,0,0,0,0,0|1,0,2]=3 5 B4R0.1 NC(=O)NO ALBB-028465 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 O=[N+]([O-])CBr ALBB-025772 [0,0,0,0,0,0|3,0,1]=4 7 B3R0.1 CN=C=O ALBB-007556 [1,0,0,0,0,0|1,0,2]=4 8 B3R0.1 CNNC ALBB-017785 [1,0,0,0,0,0|3,0,0]=4 9 B3R0.1 N\C=N/O ALBB-016431 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 CC(C)CNN ALBB-029756 [0,1,0,0,0,0|2,0,0]=3 11 B5R0.1 CC(C)N=C=O ALBB-003059 [0,1,0,0,0,0|1,0,2]=4 12 B5R0.1 CCOC(C)=N ALBB-014832 [0,1,0,0,0,0|2,0,1]=4 13 B5R0.1 CNCC(C)=O ALBB-016173 [0,1,0,0,0,0|1,0,2]=4 14 B5R0.1 CNCC(C)O ALBB-012392 [0,1,0,0,0,0|1,0,0]=2 15 B5R0.3 CCC(=N)OC ALBB-033213 [0,1,0,0,0,0|2,0,1]=4 16 B5R0.3 CCC(C)NC ALBB-013207 [0,1,0,0,0,0|2,0,0]=3 17 B5R0.3 CCC(O)C#N ALBB-027948 [0,1,0,0,0,0|1,0,1]=3 18 B5R0.3 CCC(O)CN ALBB-026517 [0,1,0,0,0,0|1,0,0]=2 19 B5R0.3 CC\C(N)=N\O ALBB-012745 [0,1,0,0,0,0|2,0,1]=4 20 B5R0.3 CC\C(N)=N\O ALBB-012745 [0,1,0,0,0,0|2,0,1]=4 21 B5R0.3 CNC(=O)CCl ALBB-009489 [0,1,0,0,0,0|1,0,2]=4 22 B5R0.3 CNC(=O)CN ALBB-026423 [0,1,0,0,0,0|1,0,2]=4 23 B5R0.3 CNC(=O)CN ALBB-026423 [0,1,0,0,0,0|1,0,2]=4 24 B5R0.3 CNC(=O)CO ALBB-026669 [0,1,0,0,0,0|0,0,2]=3 25 B5R0.3 COC(=N)CCl ALBB-033135 [0,1,0,0,0,0|2,0,1]=4 26 B5R0.3 NNC(=O)CO ALBB-016554 [0,1,0,0,0,0|1,0,2]=4 27 B5R0.3 N\C(CCl)=N/O ALBB-022322 [0,1,0,0,0,0|2,0,1]=4 28 B5R0.3 OC(CCl)CBr ALBB-032330 [0,1,0,0,0,0|1,0,0]=2 29 B5R0.4 CC(C)(C)C#N ALBB-031645 [0,1,0,0,0,0|2,0,1]=4 30 B5R0.4 CC(C)(N)C#N ALBB-012186 [0,1,0,0,0,0|2,0,1]=4 31 B5R0.4 CC(C)(N)C#N ALBB-012186 [0,1,0,0,0,0|2,0,1]=4 32 B5R0.5 CC(C)C(=N)N ALBB-033137 [0,1,0,0,0,0|2,0,1]=4 33 B5R0.5 CC(C)C(N)=S ALBB-031241 [0,1,0,0,0,0|1,1,1]=4 34 B5R0.5 CC(Cl)C(N)=O ALBB-013454 [0,1,0,0,0,0|1,0,2]=4 35 B5R1.3 BrCC1CC1 ALBB-026581 [0,0,0,1,0,0|2,0,0]=3 36 B5R1.3 NCC1CC1 ALBB-005351 [0,0,0,1,0,0|2,0,0]=3 37 B4R0.2 CNCCI ALBB-023404 [1,1,0,0,0,0|1,0,0]=3 38 B4R0.2 CNCCO ALBB-012133 [1,1,0,0,0,0|0,0,0]=2 39 B4R0.2 COCCBr ALBB-030140 [1,1,0,0,0,0|1,0,0]=3 40 B4R0.2 CSCCCl ALBB-014067 [1,1,0,0,0,0|1,0,0]=3 41 B4R0.2 CSCCN ALBB-013381 [1,1,0,0,0,0|1,0,0]=3 42 B6R0.1 CCC(C)N=C=O ALBB-003014 [0,2,0,0,0,0|1,0,1]=4 43 B6R0.1 CCC(O)COC ALBB-025835 [0,2,0,0,0,0|0,0,0]=2 44 B6R0.1 CCCC(O)C#N ALBB-027950 [0,2,0,0,0,0|1,0,1]=4 45 B6R0.1 CNC(=O)CCO ALBB-013463 [0,2,0,0,0,0|0,0,2]=4 46 B6R0.1 COC(=N)CCO ALBB-033259 [0,2,0,0,0,0|1,0,1]=4 47 B6R0.1 N\C(CCO)=N/O ALBB-014806 [0,2,0,0,0,0|1,0,1]=4 48 B6R0.2 CC(N)CC(=O)O ALBB-014344 [0,2,0,0,0,0|1,0,0]=3 49 B6R0.3 CC(C)C(O)C#N ALBB-022333 [0,2,0,0,0,0|1,0,0]=3 50 B6R0.3 CC(C)\C(N)=N\O ALBB-014803 [0,2,0,0,0,0|1,0,1]=4 51 B6R0.3 CC(CN)C(=O)O ALBB-026586 [0,2,0,0,0,0|1,0,0]=3 52 B6R0.3 CC(CO)N(C)C ALBB-033152 [0,2,0,0,0,0|1,0,0]=3 53 B6R0.3 CC(CO)[N+](=O)[O-] ALBB-017751 [0,2,0,0,0,0|0,0,1]=3 54 B6R0.3 CCC(N)C(=O)O ALBB-016221 [0,2,0,0,0,0|1,0,1]=4 55 B6R0.3 CNC(C)C(=O)O ALBB-021461 [0,2,0,0,0,0|1,0,1]=4 56 B6R0.3 COC(=O)C(C)N ALBB-012913 [0,2,0,0,0,0|1,0,1]=4 57 B6R0.3 CSC(C)C(=O)O ALBB-005886 [0,2,0,0,0,0|0,1,1]=4 58 B6R0.3 NCC(O)C(=O)O ALBB-031572 [0,2,0,0,0,0|0,0,1]=3 59 B6R0.4 C=CCNC(C)C ALBB-004038 [0,2,0,0,0,0|2,0,0]=4 60 B6R0.4 CC(C)CCNN ALBB-033413 [0,2,0,0,0,0|2,0,0]=4 61 B6R0.4 CC(C)NCCN ALBB-006267 [0,2,0,0,0,0|2,0,0]=4 62 B6R0.4 CC(C)SCCCl ALBB-013218 [0,2,0,0,0,0|2,0,0]=4 63 B6R0.4 CC(C)SCCO ALBB-013392 [0,2,0,0,0,0|1,0,0]=3 64 B6R0.4 COCCN(C)C ALBB-034857 [0,2,0,0,0,0|2,0,0]=4 65 B6R0.8 CC(C)(C#N)CO ALBB-010180 [0,2,0,0,0,0|1,0,0]=3 66 B6R0.7 CC(N)C(C)(C)C ALBB-001482 [0,2,0,0,0,0|2,0,0]=4 67 B6R1.2 NC1CCNC1 ALBB-005927 [0,1,0,1,0,0|2,0,0]=4 68 B6R1.2 NC1CCNC1 ALBB-005927 [0,1,0,1,0,0|2,0,0]=4 69 B6R1.2 O[C@@H]1CCNC1 ALBB-014822 [0,1,0,1,0,0|1,0,0]=3 70 B6R1.6 NCC1CCC1 ALBB-017755 [0,1,0,1,0,0|2,0,0]=4