0 B10R1.18 CC(=O)NC1=CC=CN=C1 BB12-1692 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.8 N#CCC1=NC=CC=C1 BB53-1348 [1,0,0,0,0,0|1,0,2]=4 2 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [1,0,0,0,0,0|1,0,1]=3 3 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 BB56-1200 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 BB12-3713 [0,1,0,0,0,0|2,0,1]=4 5 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 BB12-3000 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 BB20-4553 [0,1,0,0,0,0|1,0,1]=3 7 B11R1.20 FC(F)SC1=CC=C(Br)C=C1 BB53-1954 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB12-4748 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 BB20-4534 [0,1,0,0,0,0|1,0,1]=3 10 B11R1.40 CCC(N)CC1=CC=CC=C1 BB17-0798 [0,1,0,0,0,0|0,0,0]=1 11 B11R1.40 NC(CO)CC1=CC=CC=C1 BB01-6619 [0,1,0,0,0,0|0,0,0]=1 12 B11R1.40 NNC(=O)CC1=NC=CC=C1 BB12-2162 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.40 NNC(=S)NC1=CC=CC=C1 BB12-2786 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB12-3947 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.86 CC(=O)NC1=CC=CC=C1S BB12-2835 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 BB12-2255 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 BB53-1496 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 BB53-1859 [0,1,0,0,0,0|3,0,0]=4 19 B11R2.10 CC1=NC2=CC=CC=C2O1 BB12-1505 [0,0,0,1,0,0|1,0,2]=4 20 B11R2.10 CC1=NC2=CC=CN=C2N1 BB12-2830 [0,0,0,1,0,0|2,0,1]=4 21 B11R2.10 O=C1NC2=CC=CC=C2N1 BB12-1666 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.6 NC(=S)C1=CC=NC=C1 BB12-3482 [0,0,0,0,1,0|2,0,1]=4 23 B9R1.6 NC(=S)C1=CN=CC=C1 BB12-3483 [0,0,0,0,1,0|2,0,1]=4 24 B9R1.13 CC(=O)CC1=CC=CS1 BB12-3710 [0,0,0,0,1,0|2,0,1]=4 25 B9R1.13 CC(C)CC1=NC=CN1 BB12-2831 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.13 CN(C)CC1=CC=CN1 BB12-1785 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.13 N=C(N)CC1=CC=CS1 BB12-3709 [0,0,0,0,1,0|2,0,1]=4 28 B11R1.91 CC(N)\C=C\C1=CC=CC=C1 BB12-1707 [0,0,0,0,0,1|0,0,1]=2 29 B11R1.91 NC(=S)COC1=CC=CC=C1 BB20-4704 [0,0,0,0,0,1|1,0,1]=3 30 B11R1.91 NC(=S)COC1=CC=CN=C1 BB20-4557 [0,0,0,0,0,1|2,0,1]=4 31 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [0,0,0,0,0,1|2,0,1]=4 32 B10R1.1 CNCC1=CC=C(Cl)N=C1 BB53-1663 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.1 CNCC1=CC=C(O)C=C1 BB12-1375 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.1 CSCC1=CC=C(Cl)N=C1 BB53-1554 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.1 N#CCC1=CC=C(N)C=C1 BB12-4851 [1,1,0,0,0,0|0,0,2]=4 36 B10R1.1 [C-]#[N+]CC1=CC=C(Cl)C=C1 BB56-1770 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.4 CC1=CC=CC=C1CCN BB12-2271 [1,1,0,0,0,0|0,0,0]=2 38 B10R1.4 CCNC1=CC=CC=C1N BB12-3022 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.10 CNCC1=CC(O)=CC=C1 BB12-1357 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.15 NC(CO)C1=CC=CC=C1 BB01-6618 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [1,1,0,0,0,0|0,0,1]=3 45 B10R1.15 NNC(=O)C1=CC=CC=C1 BB20-4243 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.15 N\N=C(/N)C1=CC=CC=C1 BB10-1016 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.17 BrCCOC1=CC=CC=C1 BB17-1654 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.17 N#CCCC1=NC=CC=C1 BB12-1756 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [1,1,0,0,0,0|0,0,1]=3 50 B10R1.17 [C-]#[N+]CCC1=CC=NC=C1 BB56-1803 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [0,1,0,0,1,0|1,0,1]=4 52 B10R1.13 CC(O)C1=CC=C(N)C=C1 BB12-2291 [0,1,0,0,1,0|1,0,0]=3 53 B10R1.13 CC1=CC=C(C(=N)N)C=C1 BB20-3270 [0,1,0,0,1,0|1,0,1]=4 54 B10R1.61 CN(C)C1=C(N)C=CC=C1 BB12-1582 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.113 CC(N)C1=CC(Br)=CC=C1 BB53-1527 [0,1,0,0,1,0|0,0,0]=2 56 B10R1.54 CC1=NN(CC(C)N)C=C1 BB01-6573 [0,1,0,0,1,0|2,0,0]=4 57 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BB12-1839 [0,1,0,0,0,1|1,0,1]=4 58 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BB17-0801 [0,1,0,0,0,1|1,0,1]=4 59 B12R1.27 NNC(=O)COC1=CC=CC=C1 BB12-2509 [0,1,0,0,0,1|1,0,1]=4 60 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [0,1,0,0,0,1|1,0,1]=4 61 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 BB01-6281 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.106 CS(=O)(=O)CC1=CC=C(N)C=C1 BB12-1100 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.371 N\C(CC1=C(Cl)C=CC=C1)=N/O BB01-3932 [0,2,0,0,0,0|1,0,1]=4 64 B10R2.7 C1=CC2=C(C=C1)NN=N2 BB01-6327 [1,0,0,1,0,0|2,0,0]=4 65 B12R2.24 O=C1CSC2=CC=CC=C2N1 BB20-4697 [0,0,0,1,0,1|1,0,1]=4 66 B12R2.24 S=C1COC2=CC=CC=C2N1 BB10-0259 [0,0,0,1,0,1|1,0,1]=4 67 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 BB56-2371 [0,1,0,1,0,0|1,0,1]=4 68 B12R2.606 CC1=NC2=CC(N)=CC=C2N1 BB12-2007 [0,1,0,1,0,0|1,0,1]=4 69 B12R2.18 CC1CC2=CC=CC=C2C1=O BB12-2283 [0,1,0,1,0,0|1,0,0]=3 70 B12R2.32 CNC1CC2=CC=CC=C2C1 BB53-1624 [0,1,0,1,0,0|0,0,0]=2 71 B12R2.32 NCC1=NC2=CC=CC=C2N1 BB12-2371 [0,1,0,1,0,0|1,0,1]=4 72 B12R2.95 CC1(C)CC2=CC=CC=C2O1 BB12-2136 [0,1,0,1,0,0|1,0,0]=3 73 B8R1.8 CCCC1=CNN=C1 BB12-3540 [1,0,0,0,1,0|2,0,0]=4 74 B8R1.8 CCCN1C=CN=C1 BB12-1504 [1,0,0,0,1,0|2,0,0]=4 75 B8R1.8 NCCC1=CC=CO1 BB01-5388 [1,0,0,0,1,0|1,0,0]=3 76 B8R1.8 NCCN1C=CN=C1 BB56-2159 [1,0,0,0,1,0|2,0,0]=4 77 B8R1.8 NCCN1C=CN=C1 BB56-2917 [1,0,0,0,1,0|2,0,0]=4