0 B11R1.16 C1=CC(=CN=C1)C(=O)NCO S5390 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.15 C1=CN=CC=C1C(=O)NN S1937 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.15 C1=CN=CC=C1C(=O)NN S1937 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.15 COC(=O)C1=CC=CC=N1 S6317 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.15 COC(=O)C1=CN=CC=C1 S6231 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.17 C1=CC=C(C=C1)C=CC=O S3763 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.17 C1=CC=C(C=C1)C=CCO S5824 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N S4210 [0,1,0,0,0,0|0,0,0]=1 8 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N S4669 [0,1,0,0,0,0|0,0,0]=1 9 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N S4669 [0,1,0,0,0,0|0,0,0]=1 10 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O S4525 [0,1,0,0,0,0|0,0,0]=1 11 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O S4525 [0,1,0,0,0,0|0,0,0]=1 12 B12R1.17 CCOC(=O)C1=CC(=CC=C1)N S3682 [0,1,0,0,0,0|0,0,0]=1 13 B12R1.30 CCCCC(C1=CC=CC=C1)O S5702 [0,1,0,0,0,0|1,0,2]=4 14 B12R2.1081 C1=CC=C2C(=C1)C(=O)NC=N2 S9360 [0,0,0,1,0,0|2,0,1]=4 15 B12R2.1081 C1=CC=C2C(=C1)C(=O)O[Bi]O2 S4032 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [2,0,0,0,0,0|1,0,0]=3 19 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.6 C1=CC=C(C=C1)C(=N)N S4956 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [2,0,0,0,0,0|1,0,0]=3 23 B9R1.6 C1=CC=C(C=C1)C(=O)O S4161 [2,0,0,0,0,0|0,0,0]=2 24 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S3750 [2,0,0,0,0,0|0,0,1]=3 25 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.6 C1=CC=NC(=C1)C(=O)O S6249 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] S6443 [2,0,0,0,0,0|1,0,1]=4 29 B9R1.6 C1=CN=CC=C1C(=O)O S6014 [2,0,0,0,0,0|1,0,0]=3 30 B9R1.6 CC(=O)C1=CC=CC=C1 S5528 [2,0,0,0,0,0|0,0,0]=2 31 B9R1.6 CC(=O)C1=NC=CN=C1 S6261 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.6 CC(C1=CC=CC=C1)N S6260 [2,0,0,0,0,0|1,0,1]=4 33 B9R1.8 C1=CC=C(C=C1)CCN S5346 [2,0,0,0,0,0|1,0,1]=4 34 B9R1.8 C1=CC=C(C=C1)CCN S5347 [2,0,0,0,0,0|1,0,1]=4 35 B9R1.8 C1=CC=C(C=C1)CCO S3703 [2,0,0,0,0,0|1,0,1]=4 36 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O S3696 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O S3696 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.22 CCC(=O)C1=CC=C(C=C1)O S5396 [1,1,0,0,0,0|0,0,0]=2 39 B11R1.22 COC(=O)C1=CC=C(C=C1)O S3985 [1,1,0,0,0,0|0,0,0]=2 40 B11R1.36 C1=CC=C(C=C1)C(=O)C(=O)O S6053 [1,1,0,0,0,0|1,0,1]=4 41 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 S6009 [1,1,0,0,0,0|0,0,1]=3 42 B11R1.36 OC(O)C(=O)C1=CC=CC=C1 S5425 [1,1,0,0,0,0|1,0,0]=3 43 B11R1.222 COC(=O)C1=CC=CC=C1O S3756 [1,1,0,0,0,0|0,0,0]=2 44 B11R1.222 COC(=O)C1=CC=CC=C1O S3756 [1,1,0,0,0,0|0,0,0]=2 45 B11R1.222 COC(=O)C1=NC=CN=C1N S6230 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.28 C1=CC=C(C=C1)COCCO S1660 [1,1,0,0,0,0|0,0,1]=3 47 B11R1.91 CC(=O)OCC1=CC=CC=C1 S5576 [1,1,0,0,0,0|0,0,2]=4 48 B13R1.17 C1=CC(=NC=C1Cl)C(=O)NCCN S6422 [0,2,0,0,0,0|2,0,0]=4 49 B13R1.17 C1=CC(=NC=C1Cl)C(=O)NCCN S6422 [0,2,0,0,0,0|2,0,0]=4 50 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)O S5405 [0,2,0,0,0,0|0,0,0]=2 51 B13R1.466 CNCC(=O)C1=CC(=C(C=C1)O)O S3185 [0,2,0,0,0,0|2,0,0]=4 52 B13R1.466 CNCC(=O)C1=CC(=C(C=C1)O)O S3185 [0,2,0,0,0,0|2,0,0]=4 53 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O S5618 [0,2,0,0,0,0|1,0,1]=4 54 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O S9466 [0,2,0,0,0,0|1,0,1]=4 55 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 S4856 [0,2,0,0,0,0|2,0,0]=4 56 B13R1.86 CCN(CC)C(=O)C1=CN=CC=C1 S4887 [0,2,0,0,0,0|2,0,0]=4 57 B11R2.1 C1CC(=O)C2=CC=CC=C21 S9346 [1,0,0,1,0,0|0,0,0]=2 58 B13R2.64 C1CN=C(N1)CC2=CC=CC=C2 S4124 [0,0,0,1,0,1|2,0,0]=4 59 B9R1.11 COC(=O)C1=CC=CO1 S5636 [1,0,0,0,1,0|1,0,0]=3