0 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO 8088 [0,0,0,0,0,0|1,0,2]=3 1 B12R2.32 c1ccc2c(c1)cc([nH]2)C#N C1259 [0,0,0,0,0,0|2,0,1]=3 2 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O I2648 [0,0,0,0,0,0|1,0,0]=1 3 B12R2.32 c1ccc2c(c1)cc([nH]2)CN A0090 [0,0,0,0,0,0|2,0,1]=3 4 B12R2.32 c1ccc2c(c1)cc([nH]2)CO I2706 [0,0,0,0,0,0|1,0,2]=3 5 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 9603 [1,0,0,0,0,0|2,0,0]=3 6 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 9606 [1,0,0,0,0,0|1,0,0]=2 7 B11R2.10 C1=CC=C2C(=C1)NC(=O)S2 8011 [1,0,0,0,0,0|1,1,0]=3 8 B11R2.10 C1C(=O)CC2=CC=CC=C21 8484 [1,0,0,0,0,0|1,0,1]=3 9 B11R2.10 C1C2=CC=CC=C2NC1=O 8296 [1,0,0,0,0,0|1,0,1]=3 10 B11R2.10 C1C2=CC=CC=C2NC1=O 8629 [1,0,0,0,0,0|1,0,1]=3 11 B11R2.10 CC1=CC2=CC=CC=C2N1 6155 [1,0,0,0,0,0|1,0,1]=3 12 B13R2.45 CN1C2=CC=CC=C2N=C1C=O 8821 [0,1,0,0,0,0|2,0,0]=3 13 B13R2.45 Cc1c2ccccc2[nH]c1C=O M1592 [0,1,0,0,0,0|1,0,0]=2 14 B13R2.435 B(C1=CC2=CC=CC=C2S1)(O)O 10488 [0,1,0,0,0,0|1,1,1]=4 15 B13R2.435 C1=CC=C2C(=C1)C=C(N2)C(=O)O 6682 [0,1,0,0,0,0|1,0,0]=2 16 B13R2.435 C1=CC=C2C(=C1)C=C(N2)C(=O)O 8607 [0,1,0,0,0,0|1,0,0]=2 17 B13R2.435 C1=CC=C2C(=C1)NC(=N2)C(=O)O 8604 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)N I2642 [0,1,0,0,0,0|1,0,0]=2 19 B10R1.17 C1=CC=C(C=C1)\C=C\C#N 9698 [1,0,1,0,0,0|1,0,1]=4 20 B10R1.18 C1=CC(=CN=C1)CC(=O)O 9059 [1,0,1,0,0,0|1,0,1]=4 21 B10R1.18 C1=CC=C(C=C1)NC(=O)N 10186 [1,0,1,0,0,0|2,0,0]=4 22 B10R1.18 C1=CC=C(C=C1)NC(=O)N 6814 [1,0,1,0,0,0|2,0,0]=4 23 B10R2.7 C1=CC2=C(NC=C2)N=C1 10095 [2,0,0,0,0,0|2,0,0]=4 24 B10R2.7 C1=CC2=NC=CN2C=C1 8887 [2,0,0,0,0,0|2,0,0]=4 25 B10R2.7 C1=CC=C2C(=C1)C=CO2 9001 [2,0,0,0,0,0|0,0,0]=2 26 B10R2.7 C1=CNC2=C1C=NC=C2 9955 [2,0,0,0,0,0|2,0,0]=4 27 B10R2.7 c1ccc2c(c1)OCO2 B0143 [2,0,0,0,0,0|1,0,1]=4 28 B12R1.125 C1=CC=C(C(=C1)\C=C\C(=O)O)Br 5999 [0,1,1,0,0,0|1,0,0]=3 29 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F 5602 [0,1,1,0,0,0|1,0,0]=3 30 B12R1.43 C1=CC=C(C=C1)C[C@H](C(=O)O)O 10498 [0,1,1,0,0,0|0,0,2]=4 31 B12R2.18 CC1=C(NC2=CC=CC=C12)C 8616 [1,1,0,0,0,0|1,0,1]=4 32 B12R2.18 Cc1c([nH]c2c1cccc2)C D0124 [1,1,0,0,0,0|1,0,1]=4 33 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 6498 [1,1,0,0,0,0|2,0,0]=4 34 B12R2.606 C1C2=C(C=CC(=C2)Br)NC1=O 8539 [1,1,0,0,0,0|1,0,1]=4 35 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C 6591 [1,1,0,0,0,0|1,0,1]=4 36 B12R2.252 c1csc2c1[nH]c(c2)C(=O)O T1464 [0,1,0,0,1,0|2,0,0]=4 37 B14R2.781 C1=CC=C2C(=C1)N=CC(=N2)C(=O)O 8667 [0,1,0,0,0,1|1,0,0]=3 38 B14R2.781 C1=CC=C2C=C(C=CC2=C1)C(=O)O 10245 [0,1,0,0,0,1|1,0,0]=3 39 B14R2.781 c1ccc2c(c1)CC(CO2)C(=O)O C1215 [0,1,0,0,0,1|0,0,2]=4 40 B14R2.2332 c1cc(nc2c1cc(cc2)F)C=O F2460 [0,1,0,0,0,1|1,0,0]=3 41 B14R2.4529 C1=CC2=C(C=C1Cl)N=C(N2)C(=O)O C6892 [0,2,0,0,0,0|2,0,0]=4 42 B14R2.4529 C1=CC2=C(C=C1F)C=C(N2)C(=O)O 5480 [0,2,0,0,0,0|1,0,0]=3 43 B14R2.450 CC1=C(OC2=CC=CC=C12)C(=O)O 8903 [0,2,0,0,0,0|0,0,0]=2 44 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br 6528 [0,0,1,1,0,0|2,0,0]=4 45 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Br 8120 [0,0,1,1,0,0|2,0,0]=4 46 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O 5805 [0,0,1,1,0,0|1,0,1]=4 47 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 6840 [0,0,1,1,0,0|2,0,0]=4 48 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2F 5357 [0,0,1,1,0,0|2,0,0]=4 49 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2N 10679 [0,0,1,1,0,0|2,0,0]=4 50 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O 5481 [0,0,1,1,0,0|2,0,0]=4 51 B12R2.44 C1=CC2=C(C=CN2)C=C1C=O 10077 [0,0,1,1,0,0|2,0,0]=4 52 B12R2.44 C1=CC2=C(C=CN2)C=C1C=O 9500 [0,0,1,1,0,0|2,0,0]=4 53 B12R2.44 c1cc(cc2c1cc[nH]2)C=O F0277 [0,0,1,1,0,0|2,0,0]=4