0 B13R2.369 C1=CC=C2C(=C1)N=C(C(=N2)Cl)Cl 6712 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.24 C1=CC2=C(C=CC(=C2)Br)N=C1 10535 [1,0,0,0,0,0|3,0,0]=4 2 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 9159 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.24 C1=CC2=C(C=CN=C2)C=C1Br 9970 [1,0,0,0,0,0|3,0,0]=4 4 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br 6528 [1,0,0,0,0,0|1,0,1]=3 5 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Br 8120 [1,0,0,0,0,0|2,0,0]=3 6 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O 5805 [1,0,0,0,0,0|1,0,0]=2 7 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 8882 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 c1cc2ccc(cc2nc1)O 5993 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.43 C1=CC=C(C=C1)C[C@H](C(=O)O)O 10498 [0,0,1,0,0,0|1,0,2]=4 10 B12R2.18 CC1=C(NC2=CC=CC=C12)C 8616 [0,0,0,0,1,0|2,0,0]=3 11 B12R2.18 Cc1c([nH]c2c1cccc2)C D0124 [0,0,0,0,1,0|2,0,0]=3 12 B11R1.91 C1=CC=C(C=C1)OCC(=O)N 5996 [1,0,1,0,0,0|1,0,1]=4 13 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br 5311 [1,0,1,0,0,0|1,0,1]=4 14 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)I 8438 [1,0,1,0,0,0|1,0,1]=4 15 B11R1.86 CC1=CC=CC=C1CC(=O)O 6025 [1,0,1,0,0,0|1,0,1]=4 16 B11R2.20 C1=CC=C2C(=C1)N=CC=N2 6803 [2,0,0,0,0,0|1,0,1]=4 17 B11R2.20 C1=CC=C2C=CC=CC2=C1 5853 [2,0,0,0,0,0|1,0,0]=3 18 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O 8638 [1,1,0,0,0,0|1,0,0]=3 19 B13R2.162 CC1=NC2=C(C=CC=C2Cl)C=C1 8225 [1,1,0,0,0,0|1,0,1]=4 20 B13R2.162 CC1=NC2=C(C=CC=C2O)C=C1 6749 [1,1,0,0,0,0|1,0,1]=4 21 B13R2.328 CC1=NC2=CC=CC=C2C(=C1)Cl 10256 [1,1,0,0,0,0|1,0,1]=4 22 B13R2.3683 C1=CC2=C(C=CC(=C2)Br)C=C1N 6704 [1,1,0,0,0,0|2,0,0]=4 23 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)Cl 6538 [1,1,0,0,0,0|1,0,1]=4 24 B13R2.3683 Cc1ccc2cc(ccc2n1)F F0126 [1,1,0,0,0,0|1,0,1]=4 25 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O 9616 [1,1,0,0,0,0|1,0,0]=3 26 B13R2.45 Cc1c2ccccc2[nH]c1C=O M1592 [0,1,0,0,1,0|1,0,0]=3 27 B13R2.3028 C1=CC2=C(C=C1Br)C(=O)C(=O)N2 6717 [0,1,0,0,1,0|0,0,1]=3 28 B13R2.3028 C1=CC2=C(C=C1Cl)C(=O)C(=O)N2 6054 [0,1,0,0,1,0|0,0,1]=3 29 B13R2.3028 C1=CC2=C(C=C1F)C(=O)C(=O)N2 6400 [0,1,0,0,1,0|0,0,1]=3 30 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 M0149 [0,1,0,0,1,0|0,0,1]=3 31 B13R2.3085 C1=CC=C2C(=C1)C(=O)N(C2=O)O 5091 [0,1,0,0,1,0|1,0,0]=3 32 B13R2.4825 C1=CC2=C(C(=C1)F)NC(=O)C2=O 8910 [0,1,0,0,1,0|0,0,1]=3 33 B13R2.4856 C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2 9454 [0,1,0,0,1,0|0,0,1]=3 34 B13R2.5190 C1=CC2=C(C=C1Br)NC(=O)C2=O 9960 [0,1,0,0,1,0|0,0,1]=3 35 B13R2.5190 C1=CC2=C(C=C1F)NC(=O)C2=O 8142 [0,1,0,0,1,0|0,0,1]=3 36 B13R2.435 C1=CC=C2C(=C1)C=C(N2)C(=O)O 6682 [0,0,1,1,0,0|2,0,0]=4 37 B13R2.435 C1=CC=C2C(=C1)C=C(N2)C(=O)O 8607 [0,0,1,1,0,0|2,0,0]=4 38 B13R2.435 C1=CC=C2C(=C1)NC(=N2)C(=O)O 8604 [0,0,1,1,0,0|2,0,0]=4 39 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)N I2642 [0,0,1,1,0,0|1,0,0]=3 40 B13R2.1613 C1=CC=C2C(=C1)C=CC=C2C=O 8859 [0,0,1,1,0,0|2,0,0]=4 41 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O 9216 [0,0,1,0,1,0|1,0,1]=4 42 B11R1.222 C1=CC=C(C(=C1)C(=O)NO)O 9621 [0,0,1,0,1,0|2,0,0]=4 43 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 9603 [1,0,0,0,1,0|2,0,0]=4 44 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 9606 [1,0,0,0,1,0|1,0,0]=3 45 B11R2.10 C1=CC=C2C(=C1)NC(=O)S2 8011 [1,0,0,0,1,0|1,0,0]=3 46 B11R2.10 C1C(=O)CC2=CC=CC=C21 8484 [1,0,0,0,1,0|1,0,1]=4 47 B11R2.10 C1C2=CC=CC=C2NC1=O 8296 [1,0,0,0,1,0|0,0,1]=3 48 B11R2.10 C1C2=CC=CC=C2NC1=O 8629 [1,0,0,0,1,0|0,0,1]=3 49 B11R2.10 CC1=CC2=CC=CC=C2N1 6155 [1,0,0,0,1,0|1,0,0]=3