0 B13R2.369 O=C1NC2=CC=CC=C2OC1=O BB12-1662 [0,0,0,0,0,0|1,0,1]=2 1 B12R2.24 FC1=CC2=CC=CC=C2C=C1 BB53-1916 [1,0,0,0,0,0|2,0,0]=3 2 B12R2.24 NC1=CC=C2N=CC=CC2=C1 BB12-2220 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.24 O=C1COC2=CC=CN=C2N1 BB12-2193 [1,0,0,0,0,0|2,0,1]=4 4 B12R2.24 O=C1CSC2=CC=CC=C2N1 BB20-4697 [1,0,0,0,0,0|1,0,1]=3 5 B12R2.24 S=C1COC2=CC=CC=C2N1 BB10-0259 [1,0,0,0,0,0|1,1,1]=4 6 B14R2.8188 CC1=C(Br)C(=O)NC2=CC=CC=C21 BB12-1910 [0,1,0,0,0,0|1,0,0]=2 7 B14R2.8188 NN1C(=O)C2=CC=CC=C2NC1=S BB53-1451 [0,1,0,0,0,0|2,1,0]=4 8 B14R2.8239 CC1OC2=CC=C(Cl)C=C2NC1=O BB20-2561 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.371 O=C(CS)NC1=C(Cl)C=CC=C1 BB12-3951 [0,0,1,0,0,0|1,1,1]=4 10 B12R1.371 O=C(CS)NC1=C(F)C=CC=C1 BB12-3952 [0,0,1,0,0,0|1,1,1]=4 11 B12R2.18 CC1CC2=CC=CC=C2C1=O BB12-2283 [0,0,0,0,1,0|1,0,2]=4 12 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB12-3947 [1,0,1,0,0,0|0,1,1]=4 13 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 BB17-2230 [1,0,1,0,0,0|1,0,0]=3 14 B11R1.91 CC(N)\C=C\C1=CC=CC=C1 BB12-1707 [1,0,1,0,0,0|1,0,1]=4 15 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [1,0,1,0,0,0|1,0,1]=4 16 B11R1.86 CC(=O)NC1=CC=CC=C1S BB12-2835 [1,0,1,0,0,0|1,0,1]=4 17 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1O BB12-3041 [0,1,1,0,0,0|1,0,0]=3 18 B13R1.470 CC1=C(NC(=O)\C=N\O)C=CC=C1 BB12-1558 [0,1,1,0,0,0|0,0,1]=3 19 B13R1.470 O=C(\C=N\O)NC1=C(Cl)C=CC=C1 BB12-1535 [0,1,1,0,0,0|1,0,0]=3 20 B13R1.470 O=C(\C=N\O)NC1=C(F)C=CC=C1 BB12-1448 [0,1,1,0,0,0|1,0,0]=3 21 B13R1.2872 C\C(C=O)=C/C1=C(O)C=CC(Br)=C1 BB17-1487 [0,1,1,0,0,0|2,0,0]=4 22 B13R1.2872 C\C(C=O)=C\C1=C(O)C=CC(Cl)=C1 BB17-1588 [0,1,1,0,0,0|2,0,0]=4 23 B13R2.32 OC1=C(Cl)C2=CC=CC=C2C=C1 BB12-5003 [1,1,0,0,0,0|1,0,0]=3 24 B13R2.162 CC1=NC2=C(Br)C=CC=C2C=C1 BB56-0660 [1,1,0,0,0,0|1,0,1]=4 25 B13R2.328 O=C1N=[N+]([O-])C2=CC=CC=C2N1 BB12-1595 [1,1,0,0,0,0|2,0,0]=4 26 B13R2.3683 CC1=CC=C2NC(=O)COC2=C1 BB10-0258 [1,1,0,0,0,0|1,0,1]=4 27 B13R2.3683 CC1=NC2=CC=C(N)C=C2C=C1 BB12-4988 [1,1,0,0,0,0|1,0,1]=4 28 B13R2.3683 O=C1COC2=CC(Cl)=CC=C2N1 BB10-0256 [1,1,0,0,0,0|1,0,1]=4 29 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 BB17-0572 [1,1,0,0,0,0|1,0,1]=4 30 B13R2.3028 NC1C(=O)NC2=CC=C(Cl)C=C21 BB12-1579 [0,1,0,0,1,0|1,0,1]=4 31 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 BB12-1449 [0,1,0,0,1,0|0,0,1]=3 32 B13R2.3085 CN1C(=O)C(N)C2=CC=CC=C21 BB12-1567 [0,1,0,0,1,0|1,0,1]=4 33 B13R2.3085 CN1C(=O)N(C)C2=CC=CC=C21 BB12-2126 [0,1,0,0,1,0|2,0,0]=4 34 B13R2.4825 NC1C(=O)NC2=C(Cl)C=CC=C21 BB12-1523 [0,1,0,0,1,0|1,0,1]=4 35 B15R2.13167 CC1NC(=O)C2=CC=CC=C2NC1=O BB52-7063 [0,1,0,0,0,1|1,0,1]=4 36 B15R2.274 CC1=C(C#N)C(=O)NC2=CC=CC=C21 BB12-2134 [0,2,0,0,0,0|1,0,0]=3 37 B15R2.888 CCOC1=NC2=CC=CC=C2NC1=O BB01-2513 [0,2,0,0,0,0|1,0,0]=3 38 B15R2.21243 C(=O)C1=CC2=CC=CC=C2N(C)C1=O BB53-1880 [0,2,0,0,0,0|0,0,1]=3 39 B15R2.21243 CN1C(=O)C(C#N)=CC2=CC=CC=C21 BB53-1922 [0,2,0,0,0,0|1,0,0]=3 40 B15R2.21243 CN1C(=O)C(CCl)=CC2=CC=CC=C21 BB53-1921 [0,2,0,0,0,0|1,0,0]=3 41 B15R2.21243 CN1C(=O)C(CO)=CC2=CC=CC=C21 BB53-1881 [0,2,0,0,0,0|0,0,0]=2 42 B15R2.6237 CCN1C(=O)C(Cl)=NC2=C1C=CC=C2 BB20-4315 [0,2,0,0,0,0|2,0,0]=4 43 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 BB12-3811 [0,0,1,1,0,0|2,0,0]=4 44 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 BB12-1678 [0,0,1,1,0,0|2,0,0]=4 45 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 BB20-4534 [0,0,1,0,1,0|1,0,1]=4 46 B11R2.1 NC1=NNC2=C1C=CC=C2 BB26-0849 [1,0,0,0,1,0|2,0,0]=4 47 B11R2.10 O=C1NC2=CC=CC=C2N1 BB12-1666 [1,0,0,0,1,0|1,0,0]=3 48 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 BB12-1362 [0,0,1,0,0,1|0,0,2]=4 49 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 BB12-2929 [0,0,1,0,0,1|2,0,0]=4