0 B13R2.12159 CC1(C)NC(=O)C2=C1C=CC=C2 1366AJ [0,0,0,0,0,0|3,0,0]=3 1 B13R2.12159 CC1(C)OC(=O)C2=C1C=CC=C2 5439AD [0,0,0,0,0,0|4,0,0]=4 2 B13R2.12159 O=C1NS(=O)(=O)C2=NC=CC=C12 6678AA [0,0,0,0,0,0|1,0,0]=1 3 B13R2.12159 O=S1(=O)N=C(Cl)C2=CC=CC=C21 V6662 [0,0,0,0,0,0|1,0,1]=2 4 B14R2.45179 NNC1=NS(=O)(=O)C2=CC=CC=C21 7644AE [0,1,0,0,0,0|1,0,1]=3 5 B14R2.55357 O=S1(=O)NS(=O)(=O)C2=C1C=CC=C2 8701AL [0,1,0,0,0,0|1,0,0]=2 6 B14R2.57380 CN1C(=O)C2=C(C=CC=C2)S1(=O)=O 7756AA [0,1,0,0,0,0|0,0,0]=1 7 B12R1.76 CCC1=CC=CC=C1S(=O)(=O)Cl 1015AE [0,0,1,0,0,0|2,0,1]=4 8 B12R1.76 CS(=O)(=O)C1=CC=CC=C1CN V5835 [0,0,1,0,0,0|2,0,1]=4 9 B12R1.76 CS(=O)(=O)C1=CC=CC=C1NN 2922AF [0,0,1,0,0,0|3,0,0]=4 10 B12R1.76 NCC1=C(S(N)(=O)=O)C=CC=C1 0077AP [0,0,1,0,0,0|1,0,1]=3 11 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 3611AL [0,0,1,0,0,0|3,0,0]=4 12 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 W6864 [0,0,1,0,0,0|3,0,0]=4 13 B12R1.261 CN(C)C1=CC=CC=C1C(N)=O 8190AB [0,0,1,0,0,0|3,0,0]=4 14 B12R1.261 CS(=O)C1=CC=CC=C1C(=O)O 6435AD [0,0,1,0,0,0|2,0,1]=4 15 B12R1.261 NC(=O)C1=C(C(=O)O)C=CC=N1 Z2506 [0,0,1,0,0,0|2,0,1]=4 16 B12R1.261 NC(=O)C1=C([N+](=O)[O-])C=CC=C1 5754AL [0,0,1,0,0,0|1,0,1]=3 17 B12R2.3901 O=C1NS(=O)(=O)C2=C1SC=C2 6359AE [0,0,0,0,1,0|1,0,0]=2 18 B14R2.29496 CC1(C)NC(=O)C2=C(C=CC=C2)O1 1851AL [0,0,0,0,0,1|3,0,0]=4 19 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 M421 [1,0,1,0,0,0|1,0,1]=4 20 B11R1.16 N#CNC(=O)C1=CC=CC=C1 4699AD [1,0,1,0,0,0|2,0,0]=4 21 B11R1.87 CC1=C(S(N)(=O)=O)N=CC=C1 0118AC [1,0,1,0,0,0|1,0,1]=4 22 B11R1.87 CS(=O)(=O)C1=CC=CC=C1Cl 9053AA [1,0,1,0,0,0|2,0,0]=4 23 B11R1.87 NC1=C(S(N)(=O)=O)C=NC=C1 Y5101 [1,0,1,0,0,0|2,0,0]=4 24 B11R1.87 O=S(=O)(F)C1=C(F)C=CC=C1 5560AJ [1,0,1,0,0,0|2,0,0]=4 25 B11R1.87 O=S(=O)(O)C1=C(I)C=CC=C1 5660AL [1,0,1,0,0,0|2,0,0]=4 26 B11R2.1 O=C1C=CC2=C1C=CC=C2 Y5096 [2,0,0,0,0,0|2,0,0]=4 27 B11R2.1 O=C1NCC2=C1C=CN=C2 1363AJ [2,0,0,0,0,0|2,0,0]=4 28 B11R2.1 O=C1NNC2=CC=CN=C12 7206AB [2,0,0,0,0,0|2,0,0]=4 29 B11R2.1 O=C1NNC2=NC=CC=C12 Z4567 [2,0,0,0,0,0|2,0,0]=4 30 B13R1.29 CCNS(=O)(=O)C1=CC=C(Br)C=C1 V4120 [0,1,1,0,0,0|1,0,1]=4 31 B13R1.29 CCNS(=O)(=O)C1=CC=C(Cl)C=C1 7073AE [0,1,1,0,0,0|1,0,1]=4 32 B13R1.29 CCNS(=O)(=O)C1=CC=C(F)C=C1 V5631 [0,1,1,0,0,0|1,0,1]=4 33 B13R1.29 CCNS(=O)(=O)C1=CC=C(N)C=C1 V3753 [0,1,1,0,0,0|1,0,1]=4 34 B13R1.30 CCNS(=O)(=O)C1=CC=CC(N)=C1 V6642 [0,1,1,0,0,0|1,0,1]=4 35 B13R1.122 O=S(=O)(NCCO)C1=CC=CC=C1 6415AE [0,1,1,0,0,0|0,0,2]=4 36 B13R1.347 CC(C)NS(=O)(=O)C1=CC=CC=C1 7593AB [0,1,1,0,0,0|1,0,1]=4 37 B13R1.347 N=C(N)NS(=O)(=O)C1=CC=CC=C1 3680AE [0,1,1,0,0,0|1,0,0]=3 38 B13R1.2819 CCNS(=O)(=O)C1=CC=CC=C1Br V3723 [0,1,1,0,0,0|1,0,1]=4 39 B13R1.349 CS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-] 0277AP [0,1,1,0,0,0|2,0,0]=4 40 B13R1.349 NS(=O)(=O)C1=C(B(O)O)C=CC=C1 X0598 [0,1,1,0,0,0|1,0,1]=4 41 B13R1.3090 COC1=C(S(N)(=O)=O)C=C(N)C=C1 1790AF [0,1,1,0,0,0|2,0,0]=4 42 B13R1.3090 COC1=CC=C(Br)C=C1S(N)(=O)=O V4545 [0,1,1,0,0,0|2,0,0]=4 43 B13R1.352 CS(=O)(=O)CC(=O)C1=CN=CC=C1 8944AD [0,1,1,0,0,0|2,0,0]=4 44 B13R1.165 NC(=O)C1=C(C(N)=O)C=C(Br)C=C1 6662AB [0,1,1,0,0,0|2,0,0]=4 45 B13R1.295 NC(=O)C1=CC=CC(N)=C1[N+](=O)[O-] 5038AA [0,1,1,0,0,0|1,0,1]=4 46 B13R2.3085 O=C1C2=CC=CN=C2C(=O)N1O V3027 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.4857 O=C1NC(=O)C2=C(Cl)C=CC=C12 1632AL [1,1,0,0,0,0|1,0,0]=3 48 B13R2.5187 O=C1NC(O)C2=CC(Br)=CC=C12 8434AB [1,1,0,0,0,0|1,0,1]=4 49 B15R2.7494 O=C1CCS(=O)(=O)C2=C1C=C(Br)C=C2 8258AJ [0,1,0,0,0,1|1,0,0]=3 50 B13R1.589 CC(=O)NC1=C(C(N)=O)C=CC=C1 3989AB [0,0,1,0,0,1|2,0,0]=4