0 B13R2.3683 Cc1ccc2nc(C)ccc2c1 T37784 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.3683 Cc1ccc2oc(=O)ccc2c1 T5647 [0,0,0,0,0,0|0,0,0]=0 2 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 T9432 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.3683 Oc1ccc2oc(=O)ccc2c1 T2S0357 [0,0,0,0,0,0|1,0,0]=1 4 B12R2.24 Clc1ccc2ccccc2c1 T20317 [1,0,0,0,0,0|2,0,0]=3 5 B12R2.24 O=C1CCc2ccccc2C1 T0660 [1,0,0,0,0,0|1,0,2]=4 6 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [1,0,0,0,0,0|0,0,2]=3 7 B12R2.24 O=c1ccc2ccccc2o1 T0775 [1,0,0,0,0,0|0,0,0]=1 8 B12R2.24 Oc1ccc2ccccc2c1 T0671 [1,0,0,0,0,0|1,0,1]=3 9 B14R2.2332 COc1ccc2cc(Br)ccc2c1 T0663 [0,1,0,0,0,0|2,0,0]=3 10 B14R2.8235 Cc1cc(=O)oc2ccc(O)cc12 TJS0318 [0,1,0,0,0,0|1,0,0]=2 11 B14R2.8235 Cc1ccc2oc(=O)cc(O)c2c1 Fr12277 [0,1,0,0,0,0|0,0,0]=1 12 B14R2.8239 Oc1cc2ccc(=O)oc2cc1O T2798 [0,1,0,0,0,0|1,0,0]=2 13 B14R2.29369 Brc1ccc2C(=O)C(=O)C=Cc2c1 T8877 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.226 Cc1cccc(OCC(O)=O)c1 T21217 [0,0,1,0,0,0|1,0,1]=3 15 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 T19408 [0,0,1,0,0,0|1,0,0]=2 16 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 T7453 [0,0,1,0,0,0|1,0,0]=2 17 B12R1.226 OC(=O)/C=C/c1cccc(F)c1 T21182 [0,0,1,0,0,0|1,0,0]=2 18 B12R1.226 OC(=O)CCc1cccc(O)c1 T7437 [0,0,1,0,0,0|1,0,2]=4 19 B12R2.606 Clc1ccc2oc(=O)[nH]c2c1 T1650 [0,0,0,0,1,0|2,0,0]=3 20 B12R2.606 Clc1ccc2sc(=O)[nH]c2c1 T0577 [0,0,0,0,1,0|2,1,0]=4 21 B12R2.606 Nc1nc2cc(Cl)ccc2o1 T0922 [0,0,0,0,1,0|3,0,0]=4 22 B12R2.606 Oc1ccc2NC(=O)Cc2c1 T37710 [0,0,0,0,1,0|2,0,1]=4 23 B12R2.606 Oc1ccc2sc(=O)oc2c1 T0515 [0,0,0,0,1,0|2,1,0]=4 24 B12R2.612 Clc1ccc2c(c1)s[nH]c2=O T20972 [0,0,0,0,1,0|3,0,0]=4 25 B12R2.612 Fc1ccc2c(c1)s[nH]c2=O T5601 [0,0,0,0,1,0|3,0,0]=4 26 B14R2.5634 Cc1ccc2OCC(=O)COc2c1 T13965 [0,0,0,0,0,1|1,0,1]=3 27 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [1,0,1,0,0,0|1,0,1]=4 28 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [1,0,1,0,0,0|1,0,1]=4 29 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [1,0,1,0,0,0|2,0,0]=4 30 B11R1.40 C=CC(Nc1ccccc1)=O T9322 [1,0,1,0,0,0|1,0,0]=3 31 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [1,0,1,0,0,0|1,0,0]=3 32 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [1,0,1,0,0,0|1,0,0]=3 33 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T13669 [1,0,1,0,0,0|1,0,0]=3 34 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T20050 [1,0,1,0,0,0|1,0,0]=3 35 B11R1.91 OC(=O)/C=C/c1ccccc1 T2740 [1,0,1,0,0,0|0,0,0]=2 36 B11R1.91 OC(=O)CCc1ccccc1 T3731 [1,0,1,0,0,0|0,0,2]=4 37 B11R1.91 OC(C=Cc1ccccc1)=O T5646 [1,0,1,0,0,0|0,0,0]=2 38 B11R1.17 Oc1ccccc1/C=C/C=O TN2857 [1,0,1,0,0,0|0,0,0]=2 39 B11R1.17 Oc1ccccc1C=CC=O TN6938 [1,0,1,0,0,0|0,0,0]=2 40 B11R1.182 Cc1ccc(O)c(CC=C)c1 T29333 [1,0,1,0,0,0|0,0,1]=3 41 B13R1.5 COc1ccc(NC(=O)C=C)cc1 T50041 [0,1,1,0,0,0|1,0,0]=3 42 B13R1.2879 CNC(=O)Oc1ccc(C)c(C)c1 T35214 [0,1,1,0,0,0|1,0,1]=4 43 B13R1.511 CC(=O)/C=C/c1ccc(O)c(O)c1 T5728 [0,1,1,0,0,0|2,0,0]=4 44 B13R1.511 NC(=O)C=Cc1ccc(O)c(O)c1 TN2881 [0,1,1,0,0,0|2,0,0]=4 45 B13R1.511 OC(=O)/C=C/c1ccc(O)c(O)c1 T2807 [0,1,1,0,0,0|1,0,0]=3 46 B13R1.643 COc1cccc(CCC(O)=O)c1 T5272 [0,1,1,0,0,0|0,0,2]=4 47 B13R1.656 Oc1ccc(O)c(/C=C/NC=O)c1 T24039 [0,1,1,0,0,0|1,0,0]=3 48 B13R2.32 O=C1C=Cc2ccccc2C1=O T20410 [1,1,0,0,0,0|1,0,0]=3 49 B13R2.57 C=Cc1ccc2ncccc2c1 T50059 [1,1,0,0,0,0|1,0,1]=4 50 B13R2.57 COc1ccc2ccccc2c1 T0573 [1,1,0,0,0,0|1,0,0]=3 51 B13R2.57 N#Cc1ccc2ccccc2c1 T20261 [1,1,0,0,0,0|1,0,1]=4 52 B13R2.155 Cc1ccc2ccc(=O)oc2c1 T7934 [1,1,0,0,0,0|0,0,0]=2 53 B13R2.155 Oc1ccc2ccc(=O)[nH]c2c1 T22226 [1,1,0,0,0,0|1,0,0]=3 54 B13R2.155 Oc1ccc2ccc(=O)oc2c1 T1693 [1,1,0,0,0,0|0,0,0]=2 55 B13R2.162 Oc1cccc2ccc(=O)[nH]c12 T2291 [1,1,0,0,0,0|1,0,0]=3 56 B13R2.328 O=c1[nH]c(=O)c2ccccc2o1 T0258 [1,1,0,0,0,0|1,0,0]=3 57 B13R2.328 Oc1cc(=O)oc2ccccc12 PDK0015 [1,1,0,0,0,0|0,0,0]=2 58 B13R2.328 Oc1cc2ccccc2c(O)c1 TD0092 [1,1,0,0,0,0|1,0,1]=4 59 B13R2.369 Cc1cc2ccccc2[nH]c1=O T50035 [1,1,0,0,0,0|1,0,0]=3 60 B13R2.369 Nc1cc2ccccc2cc1N T18881 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.369 Nc1cc2ccccc2oc1=O TN1243 [1,1,0,0,0,0|0,0,0]=2 62 B13R2.369 O=c1[nH]c2ccccc2[nH]c1=O T20436 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.369 Oc1cc2ccccc2oc1=O T8002 [1,1,0,0,0,0|0,0,0]=2 64 B13R2.2121 COc1ccc2[nH]c(=O)oc2c1 T2S2108 [0,1,0,0,1,0|2,0,0]=4 65 B15R2.1754 COc1cc2ccc(=O)oc2cc1O T2984 [0,2,0,0,0,0|0,0,0]=2 66 B15R2.21329 COc1ccc2oc(=O)cc(C)c2c1 T8113 [0,2,0,0,0,0|0,0,0]=2 67 B15R2.59733 Cc1cc(=O)oc2cc(O)c(O)cc12 TJS0338 [0,2,0,0,0,0|1,0,0]=3 68 B15R2.1824 COc1cc2oc(=O)ccc2cc1O T3815 [0,2,0,0,0,0|1,0,0]=3 69 B13R2.342 Nc1cccc2c1cc[nH]c2=O T50044 [0,0,1,1,0,0|2,0,0]=4 70 B11R1.22 Oc1ccc(cc1)C(=O)C=O T32102 [0,0,1,0,1,0|2,0,0]=4 71 B11R1.157 CC(=O)Nc1cccc(C)c1 T21117 [0,0,1,0,1,0|2,0,0]=4 72 B11R1.157 Cc1cccc(CC(O)=O)c1 T19409 [0,0,1,0,1,0|0,0,1]=3 73 B11R1.157 OC(=O)Cc1cccc(O)c1 T4829 [0,0,1,0,1,0|1,0,1]=4 74 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,0,1,0,1,0|1,0,1]=4 75 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [0,0,1,0,1,0|2,0,0]=4 76 B11R2.1 Cc1c[nH]c2ccccc12 T5281 [1,0,0,0,1,0|2,0,0]=4 77 B11R2.1 O=C1CCc2ccccc12 T0564 [1,0,0,0,1,0|0,0,2]=4 78 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [1,0,0,0,1,0|1,0,1]=4 79 B11R2.10 O=c1[nH]c2ccccc2[nH]1 T0662 [1,0,0,0,1,0|2,0,0]=4 80 B11R2.10 O=c1[nH]c2ccccc2o1 T5572 [1,0,0,0,1,0|1,0,0]=3 81 B11R2.36 Brc1ccc2[nH]ccc2c1 T7473 [1,0,0,0,1,0|2,0,0]=4 82 B11R2.36 Oc1ccc2cc[nH]c2c1 T5682 [1,0,0,0,1,0|2,0,0]=4