0 B6R0.1 CCC(O)COC ALBB-025835 [1,0,0,0,0,0|2,1,0]=4 1 B6R0.1 CCCC(O)C#N ALBB-027950 [1,0,0,0,0,0|2,0,1]=4 2 B6R0.1 CNC(=O)CCO ALBB-013463 [1,0,0,0,0,0|1,1,1]=4 3 B6R0.1 COC(=N)CCO ALBB-033259 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.3 CC(C)C(O)C#N ALBB-022333 [1,0,0,0,0,0|1,1,1]=4 5 B6R0.3 CC(CO)N(C)C ALBB-033152 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.3 CC(CO)[N+](=O)[O-] ALBB-017751 [1,0,0,0,0,0|2,1,0]=4 7 B6R0.3 CCC(N)C(=O)O ALBB-016221 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.2 CCN(C)C(C)C(=O)O ALBB-029757 [0,1,0,0,0,0|2,0,1]=4 9 B8R0.3 CCN(C)C(C)CCN ALBB-004071 [0,1,0,0,0,0|3,0,0]=4 10 B8R0.20 CCC(CN)N(C)CC ALBB-004291 [0,1,0,0,0,0|3,0,0]=4 11 B8R0.20 CCN(CC)C(C)CO ALBB-033146 [0,1,0,0,0,0|2,0,0]=3 12 B8R1.5 CC1CNCCC1=O ALBB-030108 [0,0,0,1,0,0|1,1,1]=4 13 B8R1.11 CCC1CCCC1=O ALBB-014713 [0,0,0,1,0,0|1,1,1]=4 14 B8R0.19 CCN(C)CC(C)CN ALBB-004070 [0,0,0,0,0,1|3,0,0]=4 15 B5R0.1 CC(C)CNN ALBB-029756 [2,0,0,0,0,0|2,0,0]=4 16 B5R0.1 CNCC(C)O ALBB-012392 [2,0,0,0,0,0|1,0,0]=3 17 B5R0.2 CCOCCN ALBB-024937 [2,0,0,0,0,0|2,0,0]=4 18 B5R0.2 CCSCCN ALBB-011952 [2,0,0,0,0,0|2,0,0]=4 19 B5R0.2 COCCCBr ALBB-030141 [2,0,0,0,0,0|2,0,0]=4 20 B5R0.3 CCC(C)NC ALBB-013207 [2,0,0,0,0,0|2,0,0]=4 21 B5R0.3 CCC(O)CN ALBB-026517 [2,0,0,0,0,0|1,1,0]=4 22 B7R0.3 CC(CO)CCCO ALBB-032482 [1,1,0,0,0,0|0,0,0]=2 23 B7R0.3 CCCNC(C)CC ALBB-022353 [1,1,0,0,0,0|1,0,0]=3 24 B7R0.3 CCNCC(O)CC ALBB-026226 [1,1,0,0,0,0|1,1,0]=4 25 B7R0.5 CC(C)N(C)CCO ALBB-033064 [1,1,0,0,0,0|2,0,0]=4 26 B7R0.5 CCSC(C)C(=O)O ALBB-004307 [1,1,0,0,0,0|1,0,1]=4 27 B7R0.7 CCCC(N)CCC ALBB-024910 [1,1,0,0,0,0|2,0,0]=4 28 B7R0.7 CCOC(=N)CCO ALBB-033257 [1,1,0,0,0,0|1,0,1]=4 29 B7R0.7 CCOC(=O)CCO ALBB-013457 [1,1,0,0,0,0|0,1,1]=4 30 B7R0.11 CCS(=O)(=O)CCO ALBB-008888 [1,1,0,0,0,0|1,1,0]=4 31 B7R0.11 COCC(C)(C)CN ALBB-011799 [1,1,0,0,0,0|2,0,0]=4 32 B7R0.12 CCNC(CC)CC ALBB-012478 [1,1,0,0,0,0|2,0,0]=4 33 B7R0.12 CCOC(CC)CBr ALBB-017846 [1,1,0,0,0,0|2,0,0]=4 34 B7R1.1 CNC1CCCC1 ALBB-013221 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.1 CNC1CCCC1 ALBB-013221 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.3 O=C1CCOCC1 ALBB-008898 [1,0,0,1,0,0|0,1,1]=4 37 B7R1.3 OC1CCSCC1 ALBB-011931 [1,0,0,1,0,0|0,2,0]=4 38 B7R1.22 CNC(C)C1CC1 ALBB-011893 [1,0,0,1,0,0|2,0,0]=4 39 B7R1.22 C\C(=N/O)C1CC1 ALBB-033726 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.21 CCN1CCC(CO)C1 ALBB-012393 [0,0,0,1,0,1|2,0,0]=4 41 B9R1.21 CCN1CCC(CO)C1 ALBB-012393 [0,0,0,1,0,1|2,0,0]=4 42 B9R1.15 CN1CCCCC1CO ALBB-021942 [0,1,0,1,0,0|2,0,0]=4 43 B9R1.15 CN[C@@H]1CCCC[C@H]1O ALBB-027109 [0,1,0,1,0,0|1,1,0]=4 44 B9R1.33 CN1CCCC1CCO ALBB-021943 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.14 CCN1CCCC1CO ALBB-014436 [0,1,0,1,0,0|2,0,0]=4