0 B9R1.35 O=C(O)C1CC(O)CN1 ALBB-006175 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 O=C1CC(C(=O)O)CN1 ALBB-018087 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.35 O=C1CCC(C(=O)O)N1 ALBB-006003 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.1 O=C1CC(CO)CN1 ALBB-010167 [1,0,0,0,0,0|2,0,1]=4 4 B8R1.7 NC(=O)[C@@H]1CCCN1 ALBB-014823 [1,0,0,0,0,0|1,0,1]=3 5 B8R1.7 O=C(O)C1CCOC1 ALBB-028032 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.7 O=C(O)C1CSCN1 ALBB-005988 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.14 COC(=O)C1=NNC(=O)N1 ALBB-025470 [0,1,0,0,0,0|2,0,1]=4 8 B10R1.14 COC(=O)C1CCN(C)C1 ALBB-008643 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.14 COC(=O)C1CNC(=O)C1 ALBB-018095 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.58 CN1CC(C(=O)O)CC1=O ALBB-000155 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.359 CC1(C)NC(C(=O)O)CS1 ALBB-022955 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.8 C=CCSC(C)C(=O)O ALBB-004311 [0,0,1,0,0,0|3,0,0]=4 13 B8R0.8 CCCCC(C)C(=O)O ALBB-031667 [0,0,1,0,0,0|2,0,1]=4 14 B8R0.8 NCCCC(N)C(=O)O ALBB-005910 [0,0,1,0,0,0|1,0,1]=3 15 B8R0.9 CC(=O)NNC(=O)CCl ALBB-018192 [0,0,1,0,0,0|3,0,0]=4 16 B8R0.9 CCC(=O)COC(C)=O ALBB-031528 [0,0,1,0,0,0|3,0,0]=4 17 B8R0.9 CCC(N)CCC(=O)O ALBB-018090 [0,0,1,0,0,0|2,0,1]=4 18 B8R0.9 CCS(=O)CCC(=O)O ALBB-004314 [0,0,1,0,0,0|2,0,0]=3 19 B8R0.9 CNC(=O)CCC(=O)O ALBB-033143 [0,0,1,0,0,0|2,0,0]=3 20 B8R0.9 COC(=O)CCC(=O)Cl ALBB-006318 [0,0,1,0,0,0|3,0,0]=4 21 B8R0.9 NCC(=O)CCC(=O)O ALBB-023627 [0,0,1,0,0,0|2,0,0]=3 22 B8R0.9 NNC(=O)CCC(=O)O ALBB-035096 [0,0,1,0,0,0|3,0,0]=4 23 B8R0.23 C=C(NC(C)=O)C(=O)O ALBB-025854 [0,0,1,0,0,0|0,0,2]=3 24 B8R0.28 CC(=O)NCCC(=O)O ALBB-033160 [0,0,1,0,0,0|2,0,0]=3 25 B8R0.28 CN(C)CCCC(=O)O ALBB-006206 [0,0,1,0,0,0|3,0,0]=4 26 B8R0.28 NC(=O)N\N=C\C(=O)O ALBB-035718 [0,0,1,0,0,0|2,0,1]=4 27 B10R1.13 CN1CCC(C(=O)O)CC1 ALBB-012244 [0,0,0,0,0,1|3,0,0]=4 28 B10R1.13 CN1CCC(C(=O)O)CC1 ALBB-012244 [0,0,0,0,0,1|3,0,0]=4 29 B10R1.13 O=C1C=CC(C(=O)O)=NN1 ALBB-005625 [0,0,0,0,0,1|0,0,3]=4 30 B10R1.13 O=C1CCC(C(=O)O)=NN1 ALBB-021311 [0,0,0,0,0,1|0,0,1]=2 31 B10R1.13 O=C1CCC(C(=O)O)=NN1 ALBB-021311 [0,0,0,0,0,1|0,0,1]=2 32 B10R1.54 CC1=NN(CC(=O)O)CC1 ALBB-012449 [0,0,0,0,0,1|2,0,1]=4 33 B10R1.113 CN1CCCC(C(=O)O)C1 ALBB-013478 [0,0,0,0,0,1|3,0,0]=4 34 B10R1.113 O=C1CSCC(C(=O)O)N1 ALBB-021237 [0,0,0,0,0,1|0,0,0]=1 35 B7R0.3 CCC(=O)NCCN ALBB-003777 [1,0,1,0,0,0|1,0,1]=4 36 B7R0.4 C=CCSCC(=O)O ALBB-000400 [1,0,1,0,0,0|2,0,0]=4 37 B7R0.4 CCCOCC(=O)O ALBB-014631 [1,0,1,0,0,0|1,0,1]=4 38 B7R0.4 CCCSCC(=O)O ALBB-004309 [1,0,1,0,0,0|1,0,1]=4 39 B7R0.4 CCOCCC(=O)O ALBB-022360 [1,0,1,0,0,0|2,0,0]=4 40 B7R0.4 CNCCCC(=O)O ALBB-026447 [1,0,1,0,0,0|2,0,0]=4 41 B7R0.4 CNCCCC(=O)O ALBB-026447 [1,0,1,0,0,0|2,0,0]=4 42 B7R0.4 NC(=O)CSCCO ALBB-011953 [1,0,1,0,0,0|1,0,1]=4 43 B7R0.5 CCNC(C)C(N)=O ALBB-011795 [1,0,1,0,0,0|1,0,1]=4 44 B7R0.5 CCSC(C)C(=O)O ALBB-004307 [1,0,1,0,0,0|1,0,1]=4 45 B7R0.5 CSCC(N)C(=O)O ALBB-033474 [1,0,1,0,0,0|1,0,1]=4 46 B7R0.5 NC(CCO)C(=O)O ALBB-035712 [1,0,1,0,0,0|0,0,1]=3 47 B7R0.5 NCCC(N)C(=O)O ALBB-025018 [1,0,1,0,0,0|1,0,0]=3 48 B7R0.6 CC(=O)NCC(=O)O ALBB-019763 [1,0,1,0,0,0|0,0,0]=2 49 B7R0.6 CC(=O)OCC(=O)Cl ALBB-013561 [1,0,1,0,0,0|2,0,0]=4 50 B7R1.2 O=C1C=C(O)CC1 ALBB-008899 [2,0,0,0,0,0|1,0,1]=4 51 B9R0.23 CCC(=O)N(C)CC(=O)O ALBB-033255 [0,1,1,0,0,0|0,0,0]=2 52 B9R0.24 CCC(=O)NNC(=O)CCl ALBB-013481 [0,1,1,0,0,0|2,0,0]=4 53 B9R0.48 CC(=O)NNC(=O)CCCl ALBB-028799 [0,1,1,0,0,0|2,0,0]=4 54 B9R0.48 CCNC(=O)CCC(=O)O ALBB-033313 [0,1,1,0,0,0|1,0,0]=3 55 B9R0.48 CCOC(=S)SCC(=O)O ALBB-026263 [0,1,1,0,0,0|1,1,0]=4 56 B9R0.48 C\C=C\C(=O)NCC(=O)O ALBB-034135 [0,1,1,0,0,0|0,0,1]=3 57 B9R0.39 CCC(NC(C)=O)C(=O)O ALBB-023463 [0,1,1,0,0,0|0,0,0]=2 58 B9R0.57 CC(NS(C)(=O)=O)C(=O)O ALBB-012968 [0,1,1,0,0,0|1,0,0]=3 59 B9R0.1 CCC(=O)NCCC(=O)O ALBB-033268 [0,1,1,0,0,0|2,0,0]=4 60 B9R0.1 CNC(=O)CCCC(=O)O ALBB-033202 [0,1,1,0,0,0|0,0,0]=2 61 B9R0.1 CNC(=O)COCC(=O)O ALBB-033306 [0,1,1,0,0,0|1,0,0]=3 62 B9R0.53 CC(=O)NC(C)CC(=O)O ALBB-022398 [0,1,1,0,0,0|2,0,0]=4 63 B9R1.11 COC(=O)C1CCCC1 ALBB-016165 [1,1,0,0,0,0|1,0,1]=4 64 B9R1.11 COC(=O)C1CCCN1 ALBB-031099 [1,1,0,0,0,0|0,0,1]=3 65 B9R1.41 CN1CCCC1C(=O)O ALBB-016470 [1,1,0,0,0,0|0,0,1]=3 66 B9R1.41 CN1CSCC1C(=O)O ALBB-016158 [1,1,0,0,0,0|1,0,1]=4 67 B9R1.163 NC1(C(=O)O)CCCC1 ALBB-035361 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.21 CN1N=C(C(=O)O)CCC1=O ALBB-023467 [0,1,0,0,0,1|0,0,1]=3 69 B11R1.645 O=C(O)CC1NC(=O)NC1=O ALBB-006253 [0,1,0,0,0,1|1,0,1]=4 70 B11R1.15 CCOC(=O)C1CCC(=O)N1 ALBB-024582 [0,2,0,0,0,0|0,0,0]=2 71 B11R1.48 CCN1CC(C(=O)O)CC1=O ALBB-003879 [0,2,0,0,0,0|2,0,0]=4 72 B11R1.489 CC1(C)OC(=O)CC1C(=O)O ALBB-031454 [0,2,0,0,0,0|2,0,0]=4 73 B9R1.6 O=C(O)C1CCSCN1 ALBB-027246 [0,0,1,1,0,0|2,0,0]=4 74 B7R1.18 O=C(Cl)C1CCC1 ALBB-032816 [1,0,0,0,1,0|1,0,1]=4 75 B9R0.4 CCCCC(N)CC(=O)O ALBB-007474 [0,0,1,0,0,1|1,0,1]=4 76 B9R0.55 CC(=O)NCCCC(=O)O ALBB-036270 [0,0,1,0,0,1|1,0,0]=3