0 B10R1.17 C1=CC=C(C=C1)CN=C=S 6108 [1,0,0,0,0,0|3,0,0]=4 1 B10R1.17 CCNCC1=CC=NC=C1 8861 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.17 CNCCC1=CC=CC=N1 10522 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.17 CNCCC1=CC=CC=N1 6724 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.18 C1=CC=C(C=C1)NC(=O)N 10186 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.18 C1=CC=C(C=C1)NC(=O)N 6814 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.18 CC(C)NC1=CC=CC=C1 6823 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.32 CN(CCO)CC1=CC=CC=C1 5730 [0,1,0,0,0,0|2,0,0]=3 8 B12R1.34 C1=CC=C(C=C1)C(C(=O)NN)O 8773 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N 5722 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N 6844 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N 9748 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.43 C1=CC=C(C=C1)C[C@H](C(=O)O)O 10498 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br 9444 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.50 COC(=O)CC1=CC(=CC=C1)F 8246 [0,1,0,0,0,0|2,0,1]=4 15 B12R2.18 CC1=C(NC2=CC=CC=C12)C 8616 [0,0,0,1,0,0|2,0,1]=4 16 B12R2.18 Cc1c([nH]c2c1cccc2)C D0124 [0,0,0,1,0,0|2,0,1]=4 17 B12R2.32 c1ccc2c(c1)CC(C2)CN A0089 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.15 CC(C#N)C1=CC=CC=C1 5998 [0,0,0,0,1,0|2,0,0]=3 19 B10R1.15 CC(CN)C1=CC=CC=C1 9559 [0,0,0,0,1,0|2,0,0]=3 20 B10R1.15 c1ccc(cc1)C(C[NH3+])O A1811 [0,0,0,0,1,0|3,0,0]=4 21 B12R1.27 COC(=O)COC1=CC=CC=C1 5583 [0,0,0,0,0,1|2,0,1]=4 22 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [2,0,0,0,0,0|1,0,0]=3 23 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [2,0,0,0,0,0|1,0,0]=3 24 B9R1.8 C1=CC=C(C=C1)CON 10183 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.8 C1=CC=NC(=C1)CCN 5251 [2,0,0,0,0,0|1,0,0]=3 26 B9R1.8 C1=CC=NC(=C1)CCO 9142 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.8 CCCC1=CC=NC=C1 8669 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.8 c1cnccc1CCN A0195 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.8 c1cnccc1CCN P0148 [2,0,0,0,0,0|1,0,0]=3 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 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl 5593 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.20 CC(C)OC1=CC=C(C=C1)Br 8626 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.20 CC(C)OC1=CC=C(C=C1)N 9611 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 6771 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.222 CNC(=O)C1=CC=CC=C1N 8920 [0,1,0,0,1,0|1,0,1]=4 40 B11R2.20 C1CCC2=CC=CC=C2C1 5836 [1,0,0,1,0,0|1,0,0]=3 41 B11R2.20 C1CNCC2=CC=CC=C21 8407 [1,0,0,1,0,0|0,0,0]=2 42 B11R2.10 C1C(=O)CC2=CC=CC=C21 8484 [1,0,0,1,0,0|1,0,1]=4 43 B11R2.10 C1C2=CC=CC=C2NC1=O 8296 [1,0,0,1,0,0|1,0,1]=4 44 B11R2.10 C1C2=CC=CC=C2NC1=O 8629 [1,0,0,1,0,0|1,0,1]=4 45 B11R2.10 CC1=CC2=CC=CC=C2N1 6155 [1,0,0,1,0,0|0,0,2]=4 46 B13R2.8137 C1CC(C1)C(=O)C2=CC=CC=C2 8352 [0,1,0,1,0,0|1,0,1]=4 47 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [1,0,0,0,1,0|1,0,1]=4 48 B9R1.6 CC(C1=CC=NC=C1)O 9776 [1,0,0,0,1,0|2,0,0]=4 49 B9R1.6 CN(C)C1=CC=NC=C1 5603 [1,0,0,0,1,0|2,0,0]=4 50 B9R1.6 CN(C)c1ccncc1 D0718 [1,0,0,0,1,0|2,0,0]=4