0 B10R1.15 C1=CC=C(C=C1)C(=O)CN 5484 [1,0,0,0,0,0|1,0,1]=3 1 B10R1.15 CC(C#N)C1=CC=CC=C1 5998 [1,0,0,0,0,0|0,0,2]=3 2 B10R1.15 CC(CN)C1=CC=CC=C1 9559 [1,0,0,0,0,0|0,0,0]=1 3 B10R1.15 c1ccc(cc1)C(C[NH3+])O A1811 [1,0,0,0,0,0|1,0,1]=3 4 B10R1.17 C1=CC=C(C=C1)CN=C=S 6108 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.17 CCNCC1=CC=NC=C1 8861 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.17 CNCCC1=CC=CC=N1 10522 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.17 CNCCC1=CC=CC=N1 6724 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N 10375 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.30 CCCOC(=O)C1=CC=CC=C1 5507 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.34 C1=CC=C(C=C1)C(C(=O)NN)O 8773 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N 9362 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.107 C1=CC=C(C=C1)C(CC(=O)[O-])[NH3+] 8928 [0,1,0,0,0,0|3,0,0]=4 13 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 8243 [0,0,0,1,0,0|2,0,1]=4 14 B12R1.32 CN(CCO)CC1=CC=CC=C1 5730 [0,0,0,0,0,1|3,0,0]=4 15 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [2,0,0,0,0,0|1,0,1]=4 16 B9R1.6 CC(C1=CC=NC=C1)O 9776 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.6 CN(C)C1=CC=NC=C1 5603 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.6 CN(C)c1ccncc1 D0718 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.8 C1=CC=C(C=C1)CON 10183 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.8 C1=CC=NC(=C1)CCN 5251 [2,0,0,0,0,0|1,0,0]=3 23 B9R1.8 C1=CC=NC(=C1)CCO 9142 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.8 CCCC1=CC=NC=C1 8669 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.8 c1cnccc1CCN A0195 [2,0,0,0,0,0|1,0,0]=3 26 B9R1.8 c1cnccc1CCN P0148 [2,0,0,0,0,0|1,0,0]=3 27 B11R1.23 CCC(=O)C1=CC(=CC=C1)F 5174 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.36 CC(C1=CC=CC=C1)C(=O)O 9014 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.222 CNC(=O)C1=CC=CC=C1N 8920 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.1 CCCCC1=CC=C(C=C1)I 10271 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.28 C1=CC=C(C=C1)CCN=C=O 10538 [1,1,0,0,0,0|0,0,2]=4 32 B11R1.28 C1=CC=C(C=C1)CNCCN 9598 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.28 C1=CC=C(C=C1)OCCCBr 10158 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.91 CC(C)NCC1=CC=CC=C1 8834 [1,1,0,0,0,0|2,0,0]=4 35 B11R2.20 C1CCC2=CC=CC=C2C1 5836 [1,0,0,1,0,0|1,0,0]=3 36 B11R2.20 C1CNCC2=CC=CC=C21 8407 [1,0,0,1,0,0|0,0,0]=2