0 B7R1.1 CCC1=CC=CO1 YMDB01437 [0,0,0,0,0,0|0,0,0]=0 1 B7R1.1 CCC1=NC=CS1 YMDB01505 [0,0,0,0,0,0|1,1,0]=2 2 B7R1.1 CSC1=CSC=C1 YMDB01449 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.1 O=CC1=CC=CO1 YMDB01459 [0,0,0,0,0,0|1,0,1]=2 4 B7R1.1 OCC1=CC=CS1 YMDB01447 [0,0,0,0,0,0|1,1,0]=2 5 B7R1.1 SCC1=CC=CO1 YMDB01433 [0,0,0,0,0,0|1,0,0]=1 6 B6R1.2 CC1=CC=CS1 YMDB01462 [1,0,0,0,0,0|0,1,0]=2 7 B6R1.2 CC1=CSC=N1 YMDB01620 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.1 CC1=CC=C(C=O)O1 YMDB01435 [0,1,0,0,0,0|1,0,1]=3 9 B8R1.1 CC1=CC=C(C=O)S1 YMDB01445 [0,1,0,0,0,0|1,1,1]=4 10 B8R1.1 CC1=CC=C(CS)O1 YMDB01503 [0,1,0,0,0,0|1,0,0]=2 11 B8R1.1 CCC1=CN=C(C)S1 YMDB01509 [0,1,0,0,0,0|1,1,0]=3 12 B8R1.1 CCC1CCC(=O)O1 YMDB01618 [0,1,0,0,0,0|0,0,3]=4 13 B8R1.7 CC(=O)C1=CC=CS1 YMDB01431 [0,1,0,0,0,0|0,1,1]=3 14 B8R1.7 CC(=O)C1=NC=CS1 YMDB01581 [0,1,0,0,0,0|1,1,1]=4 15 B8R1.8 NCCC1=CNC=N1 YMDB01556 [0,1,0,0,0,0|2,0,0]=3 16 B8R1.8 SCCC1=CC=CO1 YMDB01460 [0,1,0,0,0,0|0,0,0]=1 17 B8R1.11 CCC1=C(C)N=CO1 YMDB01498 [0,1,0,0,0,0|1,0,0]=2 18 B8R1.11 CSC1=C(C)OC=C1 YMDB01452 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.1 CCOC(=O)CC YMDB01331 [0,0,1,0,0,0|1,0,2]=4 20 B6R0.6 CCC\C=C/C=O YMDB01655 [0,0,1,0,0,0|0,0,2]=3 21 B6R0.6 CCC\C=C\CO YMDB01676 [0,0,1,0,0,0|0,0,2]=3 22 B6R0.6 CC\C=C/CCO YMDB01420 [0,0,1,0,0,0|0,0,2]=3 23 B6R0.6 CC\C=C\CCO YMDB01421 [0,0,1,0,0,0|0,0,2]=3 24 B6R0.6 C\C=C\C=C\CO YMDB01707 [0,0,1,0,0,0|0,0,2]=3 25 B8R1.2 O=CC1=CC=CC=C1 YMDB01326 [0,0,0,0,0,1|2,0,1]=4 26 B8R1.2 OCC1=CC=CC=C1 YMDB01426 [0,0,0,0,0,1|2,0,0]=3 27 B5R1.1 C1=CSC=C1 YMDB01792 [2,0,0,0,0,0|0,1,0]=3 28 B7R0.1 CCCC\C=C\C=O YMDB01706 [0,1,1,0,0,0|0,0,2]=4 29 B7R0.4 C\C=C\C=C\C(=O)O YMDB01784 [0,1,1,0,0,0|0,0,1]=3 30 B7R1.4 CC1=C(S)C=CO1 YMDB01443 [1,1,0,0,0,0|0,0,0]=2 31 B7R1.4 CC1=C(S)C=CS1 YMDB01502 [1,1,0,0,0,0|0,1,0]=3 32 B9R1.1 CCC1=CC=C(O)C=C1 YMDB01617 [0,1,0,0,0,1|1,0,0]=3 33 B9R1.6 CC(=O)C1=CC=CC=C1 YMDB01629 [0,1,0,0,0,1|1,0,1]=4 34 B9R1.8 C\C=C\C1=CN=CC=N1 YMDB01512 [0,1,0,0,0,1|1,0,1]=4 35 B9R1.8 NCCC1=CC=CC=C1 YMDB01558 [0,1,0,0,0,1|1,0,0]=3 36 B9R1.8 O=CCC1=CC=CC=C1 YMDB00116 [0,1,0,0,0,1|1,0,1]=4 37 B9R1.8 OCCC1=CC=CC=C1 YMDB01072 [0,1,0,0,0,1|1,0,0]=3 38 B9R1.15 COC1=CC=CC=C1O YMDB01430 [0,1,0,0,0,1|2,0,0]=4 39 B9R1.21 CCC1=CSC(CC)=N1 YMDB01511 [0,2,0,0,0,0|1,1,0]=4 40 B9R1.22 CCC1=C(C)N=C(C)O1 YMDB01500 [0,2,0,0,0,0|1,0,0]=3 41 B9R1.22 CCC1=C(C)OC(C)=N1 YMDB01499 [0,2,0,0,0,0|2,0,0]=4 42 B9R1.22 CCC1=C(C)SC(C)=N1 YMDB01506 [0,2,0,0,0,0|2,0,0]=4 43 B9R1.35 CC1=CSC(C(C)C)=N1 YMDB01496 [0,2,0,0,0,0|1,1,0]=4 44 B9R1.35 CC1=NC(C(C)C)=CS1 YMDB01510 [0,2,0,0,0,0|2,0,0]=4 45 B9R1.35 O=C(O)C1=CC=C(O)O1 YMDB02319 [0,2,0,0,0,0|1,0,1]=4 46 B9R1.13 CC(=O)CC1=CC=CO1 YMDB01695 [0,2,0,0,0,0|0,0,0]=2 47 B9R1.13 CC(C)CC1=NC=CS1 YMDB01585 [0,2,0,0,0,0|1,1,0]=4 48 B9R1.33 CC1=C(CCO)SC=N1 YMDB00706 [0,2,0,0,0,0|1,1,0]=4