0 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BB17-0801 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.27 NNC(=O)COC1=CC=CC=C1 BB12-2509 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.28 O\N=C\C=C\C1=CC=CC=C1 BB12-1495 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.91 CC(N)\C=C\C1=CC=CC=C1 BB12-1707 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 BB26-0866 [0,1,0,0,0,0|0,0,2]=3 6 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 BB53-1853 [0,1,0,0,0,0|2,0,1]=4 7 B13R2.10 CC1=CC(C2=CC=CC=C2)=NN1 BB20-3383 [0,0,0,1,0,0|3,0,0]=4 8 B13R2.10 ClC1=NC(C2=CC=CC=C2)=NO1 BB12-3531 [0,0,0,1,0,0|3,0,0]=4 9 B13R2.10 NC1=NNC(C2=CC=CC=C2)=C1 BB56-0242 [0,0,0,1,0,0|3,0,0]=4 10 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 BB12-3532 [0,0,0,1,0,0|2,0,1]=4 11 B13R2.10 SC1=NC(C2=CC=CC=C2)=NO1 BB12-3670 [0,0,0,1,0,0|2,1,0]=4 12 B13R2.32 OC1=C(Cl)C2=CC=CC=C2C=C1 BB12-5003 [0,0,0,1,0,0|2,0,1]=4 13 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB12-3947 [0,0,0,0,1,0|3,0,0]=4 14 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 BB17-2230 [0,0,0,0,1,0|3,0,0]=4 15 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [2,0,0,0,0,0|1,0,1]=4 16 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 BB12-2588 [1,1,0,0,0,0|1,0,1]=4 17 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB12-1847 [1,1,0,0,0,0|1,0,1]=4 18 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 BB17-2516 [1,1,0,0,0,0|0,0,0]=2 19 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [1,1,0,0,0,0|0,0,1]=3 20 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 BB12-1278 [1,1,0,0,0,0|1,0,1]=4 21 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1289 [1,1,0,0,0,0|0,0,0]=2 22 B12R1.125 CC1=CC=CC=C1NCC(=O)O BB12-2586 [1,1,0,0,0,0|1,0,1]=4 23 B12R1.125 CC1=CC=CC=C1OCC(=O)O BB01-6379 [1,1,0,0,0,0|1,0,1]=4 24 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 BB12-2037 [1,1,0,0,0,0|1,0,1]=4 25 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 BB12-2587 [1,1,0,0,0,0|1,0,1]=4 26 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 BB12-2907 [1,1,0,0,0,0|0,0,2]=4 27 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 BB17-0708 [1,1,0,0,0,0|0,0,0]=2 28 B12R1.226 O=C(O)\C=C\C1=CC(I)=CC=C1 BB56-2320 [1,1,0,0,0,0|0,0,0]=2 29 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 BB17-0336 [0,1,0,0,1,0|2,0,0]=4 30 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 BB01-6281 [0,1,0,0,1,0|0,0,1]=3 31 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 BB01-4761 [0,2,0,0,0,0|1,0,1]=4 32 B14R1.502 CCOC(=O)CNC1=CC=C(C)C=C1 BB12-2898 [0,2,0,0,0,0|1,0,1]=4 33 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 BB12-2773 [0,2,0,0,0,0|1,0,1]=4 34 B14R1.32 CCOC(=O)CNC1=CC(C)=CC=C1 BB12-2557 [0,2,0,0,0,0|1,0,1]=4 35 B14R1.135 COC(=O)[C@H](N)CC1=CC(C)=CC=C1 BB20-3427 [0,2,0,0,0,0|0,0,2]=4 36 B14R1.598 CCOC(=O)CNC1=C(C)C=CC=C1 BB12-2889 [0,2,0,0,0,0|1,0,1]=4 37 B12R1.435 CNC(=O)C1=CC=CC(C=O)=C1 BB17-2997 [0,0,1,1,0,0|2,0,0]=4 38 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 BB20-4654 [0,0,1,1,0,0|1,0,1]=4 39 B12R2.2 C1=CC=C(C2=CC=NN2)C=C1 BB12-2172 [1,0,0,1,0,0|2,0,0]=4 40 B12R2.24 FC1=CC2=CC=CC=C2C=C1 BB53-1916 [1,0,0,1,0,0|1,0,1]=4 41 B14R2.95 COC(=O)C1=NNC2=CC=CC=C21 BB56-1907 [0,0,0,1,0,1|1,0,0]=3 42 B14R2.21 O=C1C=C(C2=CC=CC=C2)N=CN1 BB11-0059 [0,1,0,1,0,0|1,0,1]=4 43 B14R2.20 NC1=CC(C2=CC=C(Br)C=C2)=NO1 BB56-2233 [0,1,0,1,0,0|2,0,0]=4 44 B14R2.20 NC1=CC(C2=CC=C(F)C=C2)=NO1 BB56-2234 [0,1,0,1,0,0|2,0,0]=4 45 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 BB11-0045 [0,1,0,1,0,0|1,0,0]=3 46 B14R2.972 NNC(=O)C1=CC2=CC=CC=C2O1 BB12-4600 [0,1,0,1,0,0|2,0,0]=4 47 B10R1.18 CC(=O)NC1=CC=CN=C1 BB12-1692 [1,0,0,0,1,0|2,0,0]=4 48 B10R1.66 CC(=O)\C=C\C1=CC=CO1 BB12-2961 [1,0,0,0,1,0|1,0,0]=3 49 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [0,0,0,0,2,0|2,0,0]=4 50 B10R1.15 COC(=O)C1=CC=NC=C1 BB20-4674 [0,0,0,0,2,0|1,0,0]=3 51 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [0,0,0,0,2,0|2,0,0]=4 52 B10R1.15 NNC(=O)C1=CC=CC=C1 BB20-4243 [0,0,0,0,2,0|2,0,0]=4