0 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 BB55-7351 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 BB57-7194 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 BB57-0554 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 BB01-5977 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.24 BrC1=CN=C2C=CC=CC2=C1 BB01-7804 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.24 ClC1=CC2=CN=CC=C2C=C1 BB32-1617 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 BB57-6789 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 BB01-7793 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.24 OC1=CC2=C(C=CC=N2)C=C1 BB57-3407 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.24 OC1=CC=C2C=CC=CC2=N1 BB17-2144 [1,0,0,0,0,0|2,0,0]=3 10 B14R2.134 COC1=CC2=C(C=C1)N=CC(O)=C2 BB58-1195 [0,1,0,0,0,0|0,0,0]=1 11 B14R2.134 COC1=CC=C2C=CC(O)=CC2=C1 BB57-6852 [0,1,0,0,0,0|1,0,0]=2 12 B14R2.781 CC(O)C1=CC=C2N=CC=CC2=C1 BB57-2159 [0,1,0,0,0,0|1,0,0]=2 13 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 BB01-8345 [0,1,0,0,0,0|2,0,0]=3 14 B14R2.1801 COC1=CC2=C(C=C1)C(O)=CC=N2 BB57-3399 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.2332 COC1=CC=C2N=C(C)C=CC2=C1 BB01-4977 [0,1,0,0,0,0|0,0,0]=1 16 B14R2.2332 N#CC1=CC=C2C=C(O)C=CC2=C1 BB58-0320 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.114 COC1=CC=C(N=C=O)C(C)=C1 BB01-6583 [0,0,1,0,0,0|1,0,2]=4 18 B12R2.32 CSC1=NC2=NC=CC=C2O1 BB01-6708 [0,0,0,0,1,0|2,1,0]=4 19 B12R2.44 C#CC1=CN2C=CN=C2C=C1 BB58-4255 [0,0,0,0,1,0|2,0,1]=4 20 B12R2.44 COC1=CC2=C(C=C1)NC=C2 BB01-4579 [0,0,0,0,1,0|0,0,1]=2 21 B12R2.44 COC1=CC2=C(C=C1)OCO2 BB57-6156 [0,0,0,0,1,0|2,0,1]=4 22 B12R2.44 COC1=CC2=C(C=CN2)C=C1 BB01-6798 [0,0,0,0,1,0|1,0,0]=2 23 B12R2.44 N#CC1=CC=C2NC=CC2=C1 BB57-4235 [0,0,0,0,1,0|2,0,1]=4 24 B12R2.44 O=CC1=CC=C2C=CNC2=C1 BB01-0975 [0,0,0,0,1,0|3,0,0]=4 25 B12R2.44 O=CC1=CC=C2NC=CC2=C1 BB01-0974 [0,0,0,0,1,0|2,0,1]=4 26 B11R1.83 COC1=CC=C(N=C=O)C=C1 BB58-0027 [1,0,1,0,0,0|1,0,1]=4 27 B11R1.83 COC1=CC=C(N=C=S)C=C1 BB17-0166 [1,0,1,0,0,0|1,0,1]=4 28 B11R1.83 COC1=CC=C(N=S=O)C=C1 BB58-0212 [1,0,1,0,0,0|2,0,0]=4 29 B11R1.279 COC1=CC(O)=C(C=O)C=C1 BB17-2320 [1,0,1,0,0,0|2,0,0]=4 30 B11R1.280 COC1=CC(C=O)=C(O)C=C1 BB17-2245 [1,0,1,0,0,0|2,0,0]=4 31 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BB01-5922 [1,0,1,0,0,0|2,0,0]=4 32 B13R1.14 COC(=O)\C=C/C1=CC=C(O)C=C1 BB57-5750 [0,1,1,0,0,0|2,0,0]=4 33 B13R1.14 COC(=O)\C=C\C1=CC=C(F)C=C1 BB58-2525 [0,1,1,0,0,0|2,0,0]=4 34 B13R1.15 COC(=O)\C=C\C1=CC(N)=CC=C1 BB58-5444 [0,1,1,0,0,0|2,0,0]=4 35 B13R1.3 COC1=CC=C(\C=C\C(=O)Cl)C=C1 BB55-6091 [0,1,1,0,0,0|2,0,0]=4 36 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 BB01-2913 [0,1,1,0,0,0|2,0,0]=4 37 B13R1.5 C=CC(=O)NC1=CC=C(CC)C=C1 BB20-1289 [0,1,1,0,0,0|1,0,1]=4 38 B13R2.32 CC1=C(C)C2=CC=CC=C2C=C1 BB17-0559 [1,1,0,0,0,0|1,0,0]=3 39 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 BB58-0123 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 BB57-0154 [1,1,0,0,0,0|1,0,0]=3 41 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 BB01-6013 [1,1,0,0,0,0|2,0,0]=4 42 B13R2.162 O=C1NC=NC2=CC=C(Br)C=C12 BB57-5345 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.328 CC1=NC2=C(C=CC=C2)C(N)=C1 BB01-8370 [1,1,0,0,0,0|2,0,0]=4 44 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 BB01-2812 [1,1,0,0,0,0|2,0,0]=4 45 B13R2.3683 CC1=CC2=CC=C(C)N=C2C=C1 BB17-2145 [1,1,0,0,0,0|0,0,0]=2 46 B13R2.3683 CC1=CC=C2C=C(C)C=CC2=C1 BB17-0560 [1,1,0,0,0,0|1,0,0]=3 47 B13R2.3683 OC1=CC=C2C=C(O)C=CC2=C1 BB57-6846 [1,1,0,0,0,0|1,0,0]=3 48 B13R2.5179 CC1=CC=C2C(C)=CC=CC2=C1 BB55-7384 [1,1,0,0,0,0|1,0,0]=3 49 B13R2.599 COC1=C(Cl)C=C2C=CNC2=C1 BB31-7385 [0,1,0,0,1,0|1,0,0]=3 50 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)S2 BB01-5948 [0,1,0,0,1,0|1,0,0]=3 51 B13R2.2121 COC1=CC2=C(C=C1)NC(C)=C2 BB01-6538 [0,1,0,0,1,0|0,0,1]=3 52 B15R2.2115 COC1=C(C=O)C2=C(C=CC=C2)C=C1 BB57-6659 [0,2,0,0,0,0|1,0,0]=3 53 B15R2.1601 COC(=O)C1=CC2=C(C=C1)N=CC=C2 BB01-7963 [0,2,0,0,0,0|0,0,0]=2 54 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2C=C1 BB57-5953 [0,2,0,0,0,0|2,0,0]=4 55 B15R2.1601 NNC(=O)C1=CC=C2N=CC=CC2=C1 BB01-5063 [0,2,0,0,0,0|2,0,0]=4 56 B15R2.89396 COC1=CC=C2C(C)=CC(=O)OC2=C1 BB57-4478 [0,2,0,0,0,0|2,0,0]=4 57 B15R2.21329 CCC1=CC=C2N=C(Cl)C=C(C)C2=C1 BB57-6422 [0,2,0,0,0,0|1,0,0]=3 58 B15R2.21329 CCC1=CC=C2NC(=O)C=C(C)C2=C1 BB57-7049 [0,2,0,0,0,0|1,0,1]=4 59 B11R1.222 COC(=O)C1=CC=CN=C1N BB01-7871 [0,0,1,0,1,0|2,0,0]=4 60 B11R2.1 CC1=CNC2=CC=CC=C12 BB01-6044 [1,0,0,0,1,0|2,0,0]=4 61 B11R2.1 CC1=NNC2=NC=CC=C12 BB58-4531 [1,0,0,0,1,0|2,0,0]=4 62 B11R2.1 IC1=CNC2=NC=CC=C12 BB20-1522 [1,0,0,0,1,0|2,0,0]=4 63 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 BB01-6196 [1,0,0,0,1,0|1,0,1]=4 64 B11R2.36 CC1=CC=C2NC=CC2=C1 BB01-8311 [1,0,0,0,1,0|0,0,1]=3 65 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 BB01-1062 [1,0,0,0,1,0|1,0,1]=4 66 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 BB01-0989 [1,0,0,0,1,0|2,0,0]=4