0 B8R0.28 NC(=O)CCCC(=O)O ALBB-003883 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.28 NC(=O)COCC(=O)O ALBB-003798 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 C=CCCNC(C)C ALBB-032054 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.4 CC(C)NCCCO ALBB-012227 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.4 CC(C)SCCCN ALBB-021089 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.4 CC(O)CNCCO ALBB-018623 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.4 CCCNCC(=O)O ALBB-034573 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.4 CCSCCC(=O)O ALBB-004315 [1,0,0,0,0,0|1,0,0]=2 8 B9R0.7 CC(C)N(C)CCC(=O)O ALBB-004151 [0,1,0,0,0,0|1,0,0]=2 9 B9R1.35 C=C1CCC(C(=O)O)C1 ALBB-032418 [0,0,0,1,0,0|0,0,2]=3 10 B9R1.35 CC(=O)N1CCC(O)C1 ALBB-029107 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.35 CC1=NC(C(=O)O)CC1 ALBB-029781 [0,0,0,1,0,0|1,0,1]=3 12 B9R1.35 CC1=NOC(C(=O)O)C1 ALBB-009863 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.35 CN1CCC(C(=O)O)C1 ALBB-004694 [0,0,0,1,0,0|1,0,0]=2 14 B9R1.49 CC1CCNC(=O)CC1 ALBB-031566 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.49 CN1CCNC(=O)CC1 ALBB-022245 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.66 CC1(C)COCC(=O)N1 ALBB-013323 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] ALBB-030070 [0,0,0,1,0,0|3,0,0]=4 18 B7R0.6 CC(C)SCC(=O)O ALBB-005684 [0,0,0,0,1,0|1,0,0]=2 19 B6R0.4 CC(C)SCCN ALBB-011948 [2,0,0,0,0,0|2,0,0]=4 20 B6R0.4 CNCCC(=O)O ALBB-013461 [2,0,0,0,0,0|1,0,0]=3 21 B6R0.4 COCCC(C)=O ALBB-027646 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.4 NC(=O)CCCCl ALBB-018689 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.4 NCCCC(N)=O ALBB-023443 [2,0,0,0,0,0|2,0,0]=4 24 B8R0.5 CCNC(=O)CC(=O)O ALBB-021454 [1,1,0,0,0,0|1,0,1]=4 25 B8R0.5 CN(CCO)CC(=O)O ALBB-016151 [1,1,0,0,0,0|2,0,0]=4 26 B8R0.6 CCNCCC(=O)NN ALBB-004098 [1,1,0,0,0,0|2,0,0]=4 27 B8R0.7 C=CCCNCC(=O)O ALBB-033604 [1,1,0,0,0,0|0,0,2]=4 28 B8R0.7 C=CCCNCC(C)C ALBB-033608 [1,1,0,0,0,0|1,0,0]=3 29 B8R0.9 CCC(=O)CCC(=O)O ALBB-025658 [1,1,0,0,0,0|0,0,1]=3 30 B8R0.9 CCN(C)CCC(=O)O ALBB-004150 [1,1,0,0,0,0|1,0,0]=3 31 B8R0.9 CCN(C)CCC(=O)O ALBB-004150 [1,1,0,0,0,0|1,0,0]=3 32 B8R0.23 CC(C)CC(N)C(N)=O ALBB-025646 [0,1,0,0,1,0|1,0,0]=3 33 B8R0.23 CC(C)N(C)CC(=O)O ALBB-028772 [0,1,0,0,1,0|1,0,0]=3 34 B8R0.23 CC(CC(=O)O)N(C)C ALBB-004031 [0,1,0,0,1,0|1,0,0]=3 35 B8R0.23 CC(CN(C)C)C(=O)O ALBB-004149 [0,1,0,0,1,0|1,0,0]=3 36 B8R0.29 CS(=O)(=O)CCC(=O)O ALBB-016284 [0,1,0,0,1,0|2,0,0]=4 37 B10R0.55 CCC(=O)NCCCN(C)C ALBB-032442 [0,1,0,0,0,1|2,0,0]=4 38 B8R1.1 CCC1COC(=O)N1 ALBB-022268 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.1 CN1CCC(CO)C1 ALBB-013303 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.1 CN1CCC(CO)C1 ALBB-013303 [1,0,0,1,0,0|1,0,1]=4 41 B8R1.1 O=C1CCC(CBr)O1 ALBB-027787 [1,0,0,1,0,0|1,0,0]=3 42 B8R1.1 O=C1CCC(CCl)O1 ALBB-014758 [1,0,0,1,0,0|1,0,0]=3 43 B8R1.4 CC1CCCC(=O)N1 ALBB-028844 [1,0,0,1,0,0|1,0,0]=3 44 B8R1.7 CC(=O)C1CCCC1 ALBB-012222 [1,0,0,1,0,0|1,0,0]=3 45 B8R1.7 O=C(Cl)C1CCCO1 ALBB-034786 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.19 CC1(C)OCCC1=O ALBB-030740 [1,0,0,1,0,0|1,0,0]=3 47 B8R1.22 CC1CCCNCC1 ALBB-013456 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.22 O=C1CCSCCN1 ALBB-022853 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.34 O=C(O)CC1CCC1 ALBB-010277 [1,0,0,1,0,0|0,0,0]=2 50 B8R1.35 O=C(O)C#CC1CC1 ALBB-030605 [1,0,0,1,0,0|0,0,2]=4 51 B8R1.72 CC1(C)CCCNC1 ALBB-005215 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.72 CC1(C)CCCNC1 ALBB-005215 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.72 CC1(C)CNCCO1 ALBB-011804 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.23 O=C(O)C1CC(O)C1 ALBB-029104 [0,0,0,1,1,0|1,0,0]=3 55 B8R1.51 CC1(C)CC(=O)CO1 ALBB-030532 [0,0,0,1,1,0|2,0,0]=4 56 B8R1.51 CC1(C)CNC(=O)C1 ALBB-022301 [0,0,0,1,1,0|2,0,0]=4 57 B10R1.113 CC(=O)N1CCCC(N)C1 ALBB-004978 [0,0,0,1,0,1|2,0,0]=4 58 B10R1.113 CC(=O)N1CCCC(O)C1 ALBB-018596 [0,0,0,1,0,1|2,0,0]=4 59 B10R1.113 CC1CCCC(C(=O)O)N1 ALBB-017902 [0,0,0,1,0,1|1,0,0]=3 60 B10R1.113 CC1CCCC(C(=O)O)N1 ALBB-017902 [0,0,0,1,0,1|1,0,0]=3 61 B10R1.113 CN1CCCC(C(=O)Cl)C1 ALBB-028819 [0,0,0,1,0,1|2,0,0]=4 62 B10R1.113 CN1CCCC(C(N)=O)C1 ALBB-030667 [0,0,0,1,0,1|2,0,0]=4 63 B10R1.128 CC1(C)OCCC1C(=O)O ALBB-030412 [0,0,0,1,0,1|0,0,0]=2 64 B10R1.13 CN1CCC(C(=O)Cl)CC1 ALBB-028820 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.13 O=C1CCC(C(=O)O)CN1 ALBB-028504 [0,1,0,1,0,0|1,0,1]=4 66 B10R1.171 CC1(C)CCCC(CO)O1 ALBB-031867 [0,1,0,1,0,0|0,0,2]=4 67 B10R1.197 CCC1CCNC(=O)CC1 ALBB-016153 [0,1,0,1,0,0|2,0,0]=4 68 B10R1.359 CC1(C)CC(C(=O)O)CO1 ALBB-030308 [0,1,0,1,0,0|1,0,0]=3 69 B10R1.359 CC1(C)CCC(C(=O)O)O1 ALBB-031866 [0,1,0,1,0,0|0,0,0]=2 70 B10R1.359 CC1(C)COC(C(=O)O)C1 ALBB-032774 [0,1,0,1,0,0|1,0,0]=3 71 B10R1.470 CN1CCC(C)(C(=O)O)C1 ALBB-026620 [0,1,0,1,0,0|1,0,0]=3 72 B10R2.534 O=C1CNCC2(CC2)N1 ALBB-016257 [0,0,0,2,0,0|2,0,0]=4