0 B11R1.3 CSC1=CC=C(C(=N)N)C=C1 4088176 [0,0,0,0,0,0|2,1,0]=3 1 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 4030428 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.3 CCC1=CC=C(C=O)N=C1 4019624 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.13 CC1=CC=C(C(C)N)C=C1 3002653 [1,0,0,0,0,0|1,0,1]=3 5 B10R1.13 CC1=NC=C(C(C)N)C=C1 4014888 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4090345 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4089401 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 4089085 [0,1,0,0,0,0|2,0,0]=3 9 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 4089640 [0,1,0,0,0,0|1,0,1]=3 10 B12R1.48 COC1=C(O)C=C(C(=O)O)N=C1 4088767 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 3006607 [0,1,0,0,0,0|2,0,1]=4 12 B12R1.113 CCOC1=CC=C(C(=O)O)C=N1 3002371 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 4089273 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 3006173 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.31 CCC1=CC(C(=O)O)=CS1 3007503 [0,0,0,0,1,0|3,0,0]=4 16 B10R1.31 CCC1=CC=C(C(=O)O)N1 4043364 [0,0,0,0,1,0|3,0,0]=4 17 B10R1.31 COC1=CC=C(C(=O)O)O1 4001967 [0,0,0,0,1,0|2,0,0]=3 18 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 4088669 [0,0,0,0,0,1|2,0,0]=3 19 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [2,0,0,0,0,0|2,0,0]=4 20 B11R1.83 COC1=CC=C(CNN)C=C1 4085299 [1,1,0,0,0,0|1,0,1]=4 21 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 4031422 [1,1,0,0,0,0|1,0,1]=4 22 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 4089355 [1,1,0,0,0,0|1,0,1]=4 23 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 4091150 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4088665 [1,1,0,0,0,0|1,0,1]=4 25 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 4089795 [1,1,0,0,0,0|2,0,0]=4 26 B13R1.35 COC1=CC=C(NC(C)=O)C=C1N 3002523 [0,1,0,0,0,1|0,0,0]=2 27 B13R1.139 COC(=O)C1=CC=C(N=C=O)C=C1 3003024 [0,2,0,0,0,0|1,0,1]=4 28 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 4088007 [0,2,0,0,0,0|2,0,0]=4 29 B13R1.3088 CNC(=O)C1=CC=C(OC)C(N)=C1 4091058 [0,2,0,0,0,0|0,0,0]=2 30 B13R1.140 CCOC1=CC=C(C(C)(C)N)C=C1 4088488 [0,2,0,0,0,0|1,0,1]=4 31 B13R1.338 CC(N)C1=CC=C(S(C)(=O)=O)C=C1 4089704 [0,2,0,0,0,0|2,0,0]=4 32 B13R1.74 CC(C)C1=CC=C(OCCN)C=C1 3002253 [0,2,0,0,0,0|1,0,1]=4 33 B13R1.74 NCCOC1=CC=C(C(=O)O)C=C1 3002764 [0,2,0,0,0,0|1,0,0]=3 34 B13R2.430 CC(N)C1=CC2=C(C=C1)OCO2 3002365 [0,1,0,1,0,0|1,0,1]=4 35 B9R1.35 CC1=CC(C(=O)O)=CS1 3002756 [1,0,0,0,1,0|2,0,0]=4 36 B9R1.35 CC1=CC=C(C(=O)O)S1 3001579 [1,0,0,0,1,0|2,0,0]=4 37 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 4036495 [0,0,0,0,1,1|2,0,0]=4 38 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 4015123 [0,0,0,0,1,1|2,0,0]=4