0 B9R1.35 O=C(O)C1CC(O)CN1 ALBB-006175 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.35 O=C1CC(C(=O)O)CN1 ALBB-018087 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 O=C1CCC(C(=O)O)N1 ALBB-006003 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.7 NC(=O)[C@@H]1CCCN1 ALBB-014823 [1,0,0,0,0,0|1,0,0]=2 4 B8R1.7 O=C(O)C1CCOC1 ALBB-028032 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.7 O=C(O)C1CSCN1 ALBB-005988 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.14 COC(=O)C1CCN(C)C1 ALBB-008643 [0,1,0,0,0,0|3,0,0]=4 7 B8R0.8 C=CCSC(C)C(=O)O ALBB-004311 [0,0,1,0,0,0|2,0,1]=4 8 B8R0.8 CCCCC(C)C(=O)O ALBB-031667 [0,0,1,0,0,0|2,0,0]=3 9 B8R0.8 CCCNC(=O)C(=O)O ALBB-009510 [0,0,1,0,0,0|2,0,1]=4 10 B8R0.8 CCCOC(C)C(=O)O ALBB-014630 [0,0,1,0,0,0|2,0,0]=3 11 B8R0.8 NCCCC(N)C(=O)O ALBB-005910 [0,0,1,0,0,0|3,0,0]=4 12 B8R0.9 CCC(N)CCC(=O)O ALBB-018090 [0,0,1,0,0,0|2,0,0]=3 13 B8R0.9 CCS(=O)CCC(=O)O ALBB-004314 [0,0,1,0,0,0|2,0,1]=4 14 B8R0.9 NCC(=O)CCC(=O)O ALBB-023627 [0,0,1,0,0,0|0,0,2]=3 15 B8R0.9 NNC(=O)CCC(=O)O ALBB-035096 [0,0,1,0,0,0|1,0,2]=4 16 B8R0.15 CCCC(NC)C(=O)O ALBB-018695 [0,0,1,0,0,0|1,0,0]=2 17 B8R0.28 CN(C)CCCC(=O)O ALBB-006206 [0,0,1,0,0,0|3,0,0]=4 18 B10R1.13 CC(=O)N1CCC(O)CC1 ALBB-012332 [0,0,0,0,0,1|3,0,0]=4 19 B10R1.13 CN1CCC(C(=O)O)CC1 ALBB-012244 [0,0,0,0,0,1|3,0,0]=4 20 B10R1.13 CN1CCC(C(=O)O)CC1 ALBB-012244 [0,0,0,0,0,1|3,0,0]=4 21 B10R1.113 CN1CCCC(C(=O)O)C1 ALBB-013478 [0,0,0,0,0,1|3,0,0]=4 22 B7R0.3 CC(CO)CCCO ALBB-032482 [1,0,1,0,0,0|1,0,1]=4 23 B7R0.4 CC(=O)CCCCCl ALBB-025821 [1,0,1,0,0,0|2,0,0]=4 24 B7R0.4 CCCNCC(C)O ALBB-029019 [1,0,1,0,0,0|1,0,1]=4 25 B7R0.4 CCCOCC(=O)O ALBB-014631 [1,0,1,0,0,0|1,0,0]=3 26 B7R0.4 CCCSCC(=O)O ALBB-004309 [1,0,1,0,0,0|1,0,0]=3 27 B7R0.4 CCOCCC(=O)O ALBB-022360 [1,0,1,0,0,0|2,0,0]=4 28 B7R0.4 CNCCCC(=O)O ALBB-026447 [1,0,1,0,0,0|2,0,0]=4 29 B7R0.4 CNCCCC(=O)O ALBB-026447 [1,0,1,0,0,0|2,0,0]=4 30 B7R0.4 NC(=O)CSCCO ALBB-011953 [1,0,1,0,0,0|2,0,0]=4 31 B7R0.5 CC(=O)N(C)CCO ALBB-013579 [1,0,1,0,0,0|2,0,0]=4 32 B7R0.5 CCNC(=O)C(=O)O ALBB-018669 [1,0,1,0,0,0|1,0,1]=4 33 B7R0.5 CCNC(C)C(N)=O ALBB-011795 [1,0,1,0,0,0|1,0,0]=3 34 B7R0.5 CCSC(C)C(=O)O ALBB-004307 [1,0,1,0,0,0|1,0,0]=3 35 B7R0.5 CSCC(N)C(=O)O ALBB-033474 [1,0,1,0,0,0|1,0,0]=3 36 B7R0.5 NC(CCO)C(=O)O ALBB-035712 [1,0,1,0,0,0|0,0,0]=2 37 B7R0.5 NCCC(N)C(=O)O ALBB-025018 [1,0,1,0,0,0|1,0,0]=3 38 B7R0.6 CN(C)CCC(=O)O ALBB-004693 [1,0,1,0,0,0|2,0,0]=4 39 B7R0.6 CN(C)CCC(=O)O ALBB-004693 [1,0,1,0,0,0|2,0,0]=4 40 B9R0.42 CC(NC(=O)CN)C(=O)O ALBB-031714 [0,1,1,0,0,0|1,0,1]=4 41 B9R0.15 CCCC(CCC)C(=O)O ALBB-032973 [0,1,1,0,0,0|2,0,0]=4 42 B9R0.57 NC(CS(=O)(=O)O)C(=O)O ALBB-014129 [0,1,1,0,0,0|2,0,0]=4 43 B9R0.53 CC(C)CC(N)CC(=O)O ALBB-007476 [0,1,1,0,0,0|2,0,0]=4 44 B9R0.53 CC(O)CN(C)CC(C)O ALBB-028938 [0,1,1,0,0,0|1,0,1]=4 45 B9R1.11 COC(=O)C1CCCC1 ALBB-016165 [1,1,0,0,0,0|1,0,0]=3 46 B9R1.11 COC(=O)C1CCCN1 ALBB-031099 [1,1,0,0,0,0|0,0,0]=2 47 B9R1.11 NNC(=O)C1CCCC1 ALBB-002486 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.41 CN1CCCC1C(=O)O ALBB-016470 [1,1,0,0,0,0|0,0,0]=2 49 B9R1.41 CN1CSCC1C(=O)O ALBB-016158 [1,1,0,0,0,0|1,0,0]=3 50 B9R1.163 NC1(C(=O)O)CCCC1 ALBB-035361 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.3 NCC1CCC(C(=O)O)CC1 ALBB-006013 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.23 COC(=O)N1CCCC(O)C1 ALBB-005336 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.15 CCOC(=O)C1CC(O)CN1 ALBB-005222 [0,2,0,0,0,0|0,0,0]=2 54 B9R1.6 NC(=O)C1CCCCN1 ALBB-024661 [0,0,1,1,0,0|2,0,0]=4 55 B9R1.6 NC(=O)C1CCCOC1 ALBB-005334 [0,0,1,1,0,0|2,0,0]=4 56 B9R1.6 O=C(O)C1CCSCN1 ALBB-027246 [0,0,1,1,0,0|2,0,0]=4 57 B9R1.6 O=C(O)C1COCCN1 ALBB-034101 [0,0,1,1,0,0|0,0,0]=2 58 B9R1.85 O=C(O)CSCC1CC1 ALBB-004308 [0,0,1,1,0,0|2,0,0]=4 59 B7R1.18 O=C(Cl)C1CCC1 ALBB-032816 [1,0,0,0,1,0|1,0,0]=3 60 B9R1.13 O=C(Cl)CC1CCCC1 ALBB-022363 [1,0,0,0,0,1|2,0,0]=4 61 B9R1.13 O=C(O)CN1CCCC1 ALBB-000108 [1,0,0,0,0,1|2,0,0]=4 62 B9R1.13 O=C(O)CN1CCCC1 ALBB-000108 [1,0,0,0,0,1|2,0,0]=4