0 B10R1.20 COC1=CC=CC=C1CN M15618 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.20 COc1ccccc1C=O M28053 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.15 COC1=CC=CC=C1O M16473 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.15 NCc1ccccc1O M28366 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.15 OCc1ccccc1O M16468 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.37 COc1ccc(O)cc1OC M18212 [0,1,0,0,0,0|1,0,1]=3 6 B11R1.53 COc1ccccc1C(=O)O M20594 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.53 O=C(O)c1ccccc1CO M28090 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.265 COC1=C(C#N)C(=O)NC=C1 M13453 [0,1,0,0,0,0|2,0,1]=4 9 B11R2.1 ClC1=CNC2=C1C=CC=C2 M29561 [0,0,0,1,0,0|2,0,1]=4 10 B11R2.1 O=C1CCC2=CC=CC=C12 M16089 [0,0,0,1,0,0|2,0,0]=3 11 B11R2.20 c1ccc2ncccc2c1 M19758 [0,0,0,1,0,0|1,0,1]=3 12 B8R1.2 C=CC1=CC=CC=N1 M19493 [2,0,0,0,0,0|1,0,0]=3 13 B8R1.2 COc1ccccc1 M20226 [2,0,0,0,0,0|0,0,0]=2 14 B8R1.2 COc1cnccn1 M24247 [2,0,0,0,0,0|2,0,0]=4 15 B8R1.2 NCc1ccccc1 M19712 [2,0,0,0,0,0|1,0,1]=4 16 B8R1.2 O=CC1=CC=CC=C1 M17745 [2,0,0,0,0,0|1,0,0]=3 17 B8R1.2 OCC1=CC=CC=C1 M10041 [2,0,0,0,0,0|1,0,1]=4 18 B8R1.5 CC1=C(O)C=CC=N1 M23315 [2,0,0,0,0,0|1,0,1]=4 19 B8R1.5 NC1=CC=CC=C1I M24615 [2,0,0,0,0,0|2,0,0]=4 20 B8R1.5 Nc1ccccc1O M19714 [2,0,0,0,0,0|1,0,0]=3 21 B8R1.5 Nc1ncccc1O M21226 [2,0,0,0,0,0|2,0,0]=4 22 B8R1.5 O=c1ccocc1O M21209 [2,0,0,0,0,0|2,0,0]=4 23 B8R1.5 Oc1ccccc1O M19683 [2,0,0,0,0,0|1,0,0]=3 24 B8R1.5 On1ccccc1=S M26402 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.2 COC1=C(Cl)C(Cl)=CC=C1 M13096 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.4 C=CCc1ccccc1O M27275 [1,1,0,0,0,0|0,0,0]=2 27 B10R1.4 CN1C=CC=C\C1=C/[NH+]=O M14766 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.4 O\N=C\C1=CC=CC=C1O M24996 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.25 CCc1ccc(C)cc1O M27942 [1,1,0,0,0,0|0,0,2]=4 30 B10R1.25 Cc1ccc(C=O)c(O)c1 M28089 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.25 O=Cc1ccc(F)cc1F M28626 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.25 O=Cc1ccc(O)cc1O M29441 [1,1,0,0,0,0|1,0,0]=3 33 B10R1.30 COC1=CC(C)=CC=C1O M24986 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.30 O=Cc1cc(O)ccc1O M29262 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.61 CC(=O)C1=CC=CC=C1O M17863 [1,1,0,0,0,0|0,0,1]=3 36 B10R1.61 CC(=O)c1ccccc1C M28091 [1,1,0,0,0,0|0,0,1]=3 37 B10R1.61 CC(C)C1=CC=CC=C1O M19501 [1,1,0,0,0,0|0,0,2]=4 38 B10R1.61 Cc1ccccc1C(=O)O M21382 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.61 NC(=O)C1=CC=CC=C1O M15487 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.61 Nc1ccccc1C(=O)O M19857 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.61 O=C(O)C1=CC=CC=C1I M24907 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.61 O=C(O)C1=CC=CC=C1O M15674 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.61 O=C(O)c1ncccc1O M20615 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.61 O=C([O-])C1=CC=CC=C1O M14942 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.78 COC1=C(OC)C=C(CO)C=C1 M16658 [0,2,0,0,0,0|1,0,1]=4 46 B12R1.78 COc1ccc(C=O)cc1OC M20321 [0,2,0,0,0,0|1,0,1]=4 47 B12R1.75 CSC1=CC=CC=C1NC(C)=O M15386 [0,2,0,0,0,0|0,1,1]=4 48 B12R1.77 CNc1ccccc1C(=O)OC M24853 [0,2,0,0,0,0|1,0,1]=4 49 B12R1.121 COC1=CC=CC=C1OCCN M15446 [0,2,0,0,0,0|0,0,2]=4 50 B12R1.121 COc1ccccc1\C=C\C=O M20879 [0,2,0,0,0,0|0,0,0]=2 51 B12R1.283 CCOC1=CC=CC=C1C(N)=O M16721 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.261 CC(=O)c1ccccc1C(=O)O M29030 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.437 COc1cccc(O)c1C(=O)O M20575 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.1879 COc1cccc(C=O)c1OC M19192 [0,2,0,0,0,0|1,0,0]=3 55 B10R1.15 CNC(=O)c1ccccc1 M26316 [0,0,1,1,0,0|2,0,0]=4 56 B10R1.15 COC(=O)c1ccccn1 M27521 [0,0,1,1,0,0|2,0,0]=4 57 B10R1.15 COC(=O)c1cccnc1 M20301 [0,0,1,1,0,0|2,0,0]=4 58 B10R2.7 C1=CC=C2NN=CC2=C1 M13828 [1,0,0,1,0,0|2,0,0]=4 59 B10R2.7 c1ccc2c(c1)CCO2 M22654 [1,0,0,1,0,0|0,0,1]=3 60 B12R2.24 O=C1C=CC2=CC=CC=C2O1 M16582 [0,1,0,1,0,0|0,0,1]=3 61 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 M14885 [0,1,0,1,0,0|1,0,1]=4 62 B12R2.24 O=C1CCC2=CC=CC=C2O1 M17874 [0,1,0,1,0,0|2,0,0]=4 63 B12R2.24 OC1=CC=C2C=CC=CC2=C1 M11424 [0,1,0,1,0,0|1,0,1]=4 64 B12R2.1 O=Cc1coc2ccccc12 M21266 [0,1,0,1,0,0|0,0,1]=3 65 B12R2.1 OCC1=CNC2=C1C=CC=C2 M15686 [0,1,0,1,0,0|2,0,0]=4 66 B12R2.18 CC1C(=O)NC2=CC=CC=C21 M12096 [0,1,0,1,0,0|2,0,0]=4 67 B12R2.1081 FC1=CC=CC2=CC=CC=C12 M14046 [0,1,0,1,0,0|1,0,1]=4 68 B12R2.1081 Ic1cccc2cnccc12 M28581 [0,1,0,1,0,0|2,0,0]=4 69 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 M12044 [0,1,0,1,0,0|1,0,1]=4 70 B12R2.1081 Oc1cccc2ccccc12 M26015 [0,1,0,1,0,0|1,0,1]=4 71 B12R2.1081 Oc1cccc2cccnc12 M21133 [0,1,0,1,0,0|1,0,1]=4 72 B12R2.1081 Oc1ccnc2ccccc12 M18890 [0,1,0,1,0,0|1,0,1]=4 73 B12R2.1081 SC1=CC=CC2=C1N=CC=C2 M14645 [0,1,0,1,0,0|1,0,1]=4