0 B12R2.24 C1=CC2=C(C=CC(=C2)Br)N=C1 10535 [1,0,0,0,0,0|2,0,0]=3 1 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 9159 [1,0,0,0,0,0|2,0,0]=3 2 B12R2.24 C1=CC2=C(C=CN=C2)C=C1Br 9970 [1,0,0,0,0,0|2,0,0]=3 3 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br 6528 [1,0,0,0,0,0|2,0,0]=3 4 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Br 8120 [1,0,0,0,0,0|1,0,0]=2 5 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O 5805 [1,0,0,0,0,0|0,0,0]=1 6 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 8882 [1,0,0,0,0,0|1,0,0]=2 7 B12R2.24 c1cc2ccc(cc2nc1)O 5993 [1,0,0,0,0,0|1,0,0]=2 8 B14R2.781 B(C1=CC2=CC=CC=C2C=C1)(O)O 5644 [0,1,0,0,0,0|2,0,0]=3 9 B14R2.781 B(C1=CC2=CC=CC=C2N=C1)(O)O 5186 [0,1,0,0,0,0|3,0,0]=4 10 B14R2.781 C1=CC=C2C=C(C=CC2=C1)C(=O)O 10245 [0,1,0,0,0,0|2,0,0]=3 11 B14R2.1019 COC1=CC(=C2C(=C1)C=CC=N2)N 5831 [0,1,0,0,0,0|1,0,0]=2 12 B14R2.2332 C1=CC2=C(C=CC(=C2)O)C=C1C#N 10490 [0,1,0,0,0,0|2,0,0]=3 13 B14R2.2332 COC1=CC2=C(C=C1)C=C(C=C2)Br 8840 [0,1,0,0,0,0|0,0,0]=1 14 B14R2.2332 c1cc(nc2c1cc(cc2)F)C=O F2460 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.27 COC(=O)C=Cc1ccccn1 P1249 [0,0,1,0,0,0|2,0,0]=3 16 B12R1.27 COC(=O)COC1=CC=CC=C1 5583 [0,0,1,0,0,0|2,0,1]=4 17 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 9784 [0,0,1,0,0,0|1,0,0]=2 18 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O 5481 [0,0,0,0,1,0|3,0,0]=4 19 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO 8088 [0,0,0,0,1,0|3,0,0]=4 20 B12R2.32 c1ccc2c(c1)cc([nH]2)C#N C1259 [0,0,0,0,1,0|3,0,0]=4 21 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O I2648 [0,0,0,0,1,0|3,0,0]=4 22 B12R2.32 c1ccc2c(c1)cc([nH]2)CN A0090 [0,0,0,0,1,0|3,0,0]=4 23 B12R2.32 c1ccc2c(c1)cc([nH]2)CO I2706 [0,0,0,0,1,0|3,0,0]=4 24 B12R2.44 C1=CC(=CC2=C1C=CN2)C#N 9833 [0,0,0,0,1,0|3,0,0]=4 25 B12R2.44 C1=CC2=C(C=CN2)C=C1C#N 8795 [0,0,0,0,1,0|3,0,0]=4 26 B12R2.44 C1=CC2=C(C=CN2)C=C1C#N 9604 [0,0,0,0,1,0|3,0,0]=4 27 B12R2.44 C1=CC2=C(C=CN2)C=C1C=O 10077 [0,0,0,0,1,0|3,0,0]=4 28 B12R2.44 C1=CC2=C(C=CN2)C=C1C=O 9500 [0,0,0,0,1,0|3,0,0]=4 29 B12R2.44 COC1=CC2=C(C=C1)C=CN2 6603 [0,0,0,0,1,0|1,0,0]=2 30 B12R2.44 COC1=CC2=C(C=C1)C=CN2 8822 [0,0,0,0,1,0|1,0,0]=2 31 B12R2.44 c1cc(cc2c1cc[nH]2)C=O F0277 [0,0,0,0,1,0|3,0,0]=4 32 B12R2.44 c1cc(cc2c1cc[nH]2)CN A4991 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.83 C\C=C\C1=CC=C(C=C1)OC 5527 [1,0,1,0,0,0|0,0,1]=3 34 B11R1.279 COC1=CC(=C(C=C1)C=O)F 6304 [1,0,1,0,0,0|2,0,0]=4 35 B11R2.20 C1=CC=C2C(=C1)N=CC=N2 6803 [2,0,0,0,0,0|2,0,0]=4 36 B11R2.20 C1=CC=C2C=CC=CC2=C1 5853 [2,0,0,0,0,0|0,0,0]=2 37 B13R1.42 CCOC(=O)\C=C\c1ccccn1 P4458 [0,1,1,0,0,0|2,0,0]=4 38 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O 8638 [1,1,0,0,0,0|1,0,0]=3 39 B13R2.162 CC1=NC2=C(C=CC=C2Cl)C=C1 8225 [1,1,0,0,0,0|1,0,0]=3 40 B13R2.162 CC1=NC2=C(C=CC=C2O)C=C1 6749 [1,1,0,0,0,0|1,0,0]=3 41 B13R2.328 CC1=NC2=CC=CC=C2C(=C1)Cl 10256 [1,1,0,0,0,0|1,0,0]=3 42 B13R2.3683 C1=CC2=C(C=CC(=C2)Br)C=C1N 6704 [1,1,0,0,0,0|1,0,0]=3 43 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)Cl 6538 [1,1,0,0,0,0|1,0,0]=3 44 B13R2.3683 Cc1ccc2cc(ccc2n1)F F0126 [1,1,0,0,0,0|1,0,0]=3 45 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O 9616 [1,1,0,0,0,0|0,0,0]=2 46 B13R2.5179 C1=CC2=C(C=CN=C2C=C1Cl)Cl 6761 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.5179 C1=CC2=C(C=CN=C2C=C1Cl)Cl 8505 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.1 C1=CC=C2C(=C1)C(=CN2)CCN 8292 [0,1,0,0,1,0|2,0,0]=4 49 B15R2.1601 C1=CC=C2C=C(C=CC2=C1)C(=O)NN 10067 [0,2,0,0,0,0|2,0,0]=4 50 B11R1.222 COC(=O)C1=CC=CC=C1F 6341 [0,0,1,0,1,0|2,0,0]=4 51 B11R2.10 CC1=CC2=CC=CC=C2N1 6155 [1,0,0,0,1,0|1,0,0]=3 52 B11R2.36 C1=CC(=CC2=C1C=CN2)Br 10604 [1,0,0,0,1,0|2,0,0]=4 53 B11R2.36 C1=CC(=CC2=C1C=CN2)Br 6492 [1,0,0,0,1,0|2,0,0]=4 54 B11R2.36 C1=CC(=CC2=C1C=CN2)Cl 10638 [1,0,0,0,1,0|2,0,0]=4 55 B11R2.36 C1=CC(=CC2=C1C=CN2)F 10188 [1,0,0,0,1,0|2,0,0]=4 56 B11R2.36 C1=CC(=CC2=C1C=CN2)F 8532 [1,0,0,0,1,0|2,0,0]=4 57 B11R2.36 C1=CC2=C(C=CN2)C=C1Cl 6668 [1,0,0,0,1,0|2,0,0]=4 58 B11R2.36 C1=CC2=C(C=CN2)C=C1F 8339 [1,0,0,0,1,0|2,0,0]=4 59 B11R2.36 C1=CC2=C(C=CN2)C=C1I 10534 [1,0,0,0,1,0|2,0,0]=4 60 B11R2.36 C1=CC2=C(C=CN2)C=C1N 9468 [1,0,0,0,1,0|2,0,0]=4 61 B11R2.36 CC1=CC2=C(C=C1)C=CN2 5403 [1,0,0,0,1,0|1,0,0]=3 62 B11R2.36 CC1=CC2=C(C=C1)C=CN2 6502 [1,0,0,0,1,0|1,0,0]=3 63 B11R2.36 c1cc2c(cc[nH]2)cc1F F0451 [1,0,0,0,1,0|2,0,0]=4