0 B11R2.10 Nc1nc2ccccc2s1 T1347 [0,0,0,0,0,0|2,1,0]=3 1 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [0,0,0,0,0,0|2,0,1]=3 2 B11R2.10 O=c1[nH]c2ccccc2[nH]1 T0662 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.10 O=c1[nH]c2ccccc2o1 T5572 [0,0,0,0,0,0|2,0,0]=2 4 B11R2.10 Sc1nc2ccccc2s1 T19856 [0,0,0,0,0,0|2,1,0]=3 5 B11R2.10 [S-]c1nc2ccccc2[nH]1 T21238 [0,0,0,0,0,0|3,0,0]=3 6 B10R2.7 C12=N[Se]N=C1C=CC=C2 T20536 [1,0,0,0,0,0|3,0,0]=4 7 B10R2.7 C1Cc2ccccc2O1 Fr14127 [1,0,0,0,0,0|0,0,2]=3 8 B10R2.7 c1[nH]nc2ccccc12 T2192 [1,0,0,0,0,0|2,0,0]=3 9 B10R2.7 c1cc2ccccc2[nH]1 T4799 [1,0,0,0,0,0|1,0,0]=2 10 B12R2.18 CC1C(=O)Nc2ccccc12 T0538 [0,1,0,0,0,0|2,0,1]=4 11 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,1,0,0,0,0|2,0,0]=3 12 B12R2.32 NNc1nc2ccccc2s1 T20513 [0,1,0,0,0,0|2,1,0]=4 13 B12R2.606 Clc1ccc2oc(=O)[nH]c2c1 T1650 [0,1,0,0,0,0|2,0,0]=3 14 B12R2.606 Clc1ccc2sc(=O)[nH]c2c1 T0577 [0,1,0,0,0,0|2,1,0]=4 15 B12R2.606 Nc1nc2cc(Cl)ccc2o1 T0922 [0,1,0,0,0,0|2,0,0]=3 16 B12R2.606 Oc1ccc2NC(=O)Cc2c1 T37710 [0,1,0,0,0,0|2,0,1]=4 17 B12R2.606 Oc1ccc2sc(=O)oc2c1 T0515 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.4 CCOc1ccccc1Br T20308 [0,0,1,0,0,0|1,0,1]=3 19 B10R1.4 CSCc1ccccc1O T33357 [0,0,1,0,0,0|1,0,1]=3 20 B10R1.4 O/N=C/c1ccccc1O T20346 [0,0,1,0,0,0|2,0,0]=3 21 B10R1.4 Oc1ccccc1CC=C T20472 [0,0,1,0,0,0|0,0,2]=3 22 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [0,0,1,0,0,0|2,0,1]=4 23 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,1,0,0,0|1,0,0]=2 24 B10R1.18 CC(=S)Nc1ccccc1 T20263 [0,0,1,0,0,0|1,1,0]=3 25 B10R1.18 CC(N)Cc1ccccc1 T25082 [0,0,1,0,0,0|1,0,2]=4 26 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [0,0,1,0,0,0|1,0,2]=4 27 B10R1.18 OC(=O)Cc1cccnc1 T1366 [0,0,1,0,0,0|2,0,1]=4 28 B12R2.24 CC1CCc2ccccc2N1 T20448 [0,0,0,0,0,1|1,0,2]=4 29 B12R2.24 Clc1ccc2ccccc2c1 T20317 [0,0,0,0,0,1|2,0,0]=3 30 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,0,0,1|2,0,1]=4 31 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,0,0,1|1,0,1]=3 32 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,0,0,1|1,0,0]=2 33 B12R2.24 Oc1ccc2ccccc2c1 T0671 [0,0,0,0,0,1|2,0,0]=3 34 B9R1.8 CCOc1ccccc1 T19753 [1,0,1,0,0,0|0,0,1]=3 35 B9R1.8 CNCc1ccccc1 T8016 [1,0,1,0,0,0|1,0,1]=4 36 B9R1.8 O/N=C/c1ccccc1 T20350 [1,0,1,0,0,0|1,0,0]=3 37 B9R1.8 O=CCc1ccccc1 TCS1857 [1,0,1,0,0,0|0,0,2]=4 38 B9R1.8 OCCc1ccccc1 T0011 [1,0,1,0,0,0|0,0,2]=4 39 B9R1.15 COc1ccccc1O T1301 [1,0,1,0,0,0|1,0,0]=3 40 B9R1.15 NCc1ccccc1O T41358 [1,0,1,0,0,0|1,0,1]=4 41 B9R1.15 OCc1ccccc1O T0311 [1,0,1,0,0,0|1,0,1]=4 42 B11R1.13 Cc1cccc(CC=C)c1O T29470 [0,1,1,0,0,0|0,0,2]=4 43 B11R1.13 Oc1cccc(CC=C)c1O T26596 [0,1,1,0,0,0|0,0,2]=4 44 B11R1.17 Oc1ccccc1/C=C/C=O TN2857 [0,1,1,0,0,0|0,0,1]=3 45 B11R1.17 Oc1ccccc1C=CC=O TN6938 [0,1,1,0,0,0|0,0,1]=3 46 B11R1.81 CCCc1ccc(C)cc1O T33238 [0,1,1,0,0,0|0,0,2]=4 47 B11R1.86 OC(=O)Cc1ccccc1O T5308 [0,1,1,0,0,0|1,0,1]=4 48 B11R1.182 Cc1ccc(O)c(CC=C)c1 T29333 [0,1,1,0,0,0|0,0,2]=4 49 B11R1.222 CCC(=O)c1ccccc1O T20371 [0,1,1,0,0,0|0,0,1]=3 50 B11R1.222 COC(=O)c1ccccc1N TN1925 [0,1,1,0,0,0|2,0,0]=4 51 B11R1.222 COC(=O)c1ccccc1O T0399 [0,1,1,0,0,0|1,0,0]=3 52 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [0,1,1,0,0,0|1,0,1]=4 53 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,1,1,0,0,0|1,0,1]=4 54 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,1,1,0,0,0|1,0,0]=3 55 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [0,1,1,0,0,0|1,0,1]=4 56 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [0,1,1,0,0,0|0,0,1]=3 57 B11R1.36 CC(O)C(=O)c1ccccc1 T29353 [0,1,1,0,0,0|0,0,1]=3 58 B11R1.36 C[C@H](O)[C@H](O)c1ccccc1 TN4002 [0,1,1,0,0,0|0,0,2]=4 59 B11R1.36 NC(C(O)=O)c1ccccc1 T13485 [0,1,1,0,0,0|1,0,1]=4 60 B11R1.36 OC(=O)C(=C)c1ccccc1 T0629 [0,1,1,0,0,0|1,0,0]=3 61 B11R1.36 OC(=O)C(=O)c1ccccc1 T8025 [0,1,1,0,0,0|1,0,0]=3 62 B11R1.36 OC(=O)C(S)c1ccccc1 T26271 [0,1,1,0,0,0|1,0,1]=4 63 B11R1.36 OC(C(O)=O)c1ccccc1 T33320 [0,1,1,0,0,0|1,0,1]=4 64 B11R1.36 OC(C(O)=O)c1ccccc1 T4848 [0,1,1,0,0,0|1,0,1]=4 65 B11R1.36 O[C@@H](C(O)=O)c1ccccc1 T2S0122 [0,1,1,0,0,0|1,0,1]=4 66 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [0,1,1,0,0,0|0,0,1]=3 67 B11R1.40 C=CC(Nc1ccccc1)=O T9322 [0,1,1,0,0,0|2,0,0]=4 68 B11R1.157 CC(=O)Nc1cccc(C)c1 T21117 [0,1,1,0,0,0|1,0,1]=4 69 B11R1.157 CC(=O)Nc1cccc(O)c1 T0914 [0,1,1,0,0,0|1,0,1]=4 70 B11R1.157 CC(=O)Oc1cccc(O)c1 T0339 [0,1,1,0,0,0|1,0,0]=3 71 B11R1.157 Cc1cccc(CC(O)=O)c1 T19409 [0,1,1,0,0,0|1,0,1]=4 72 B11R1.157 OC(=O)Cc1cccc(O)c1 T4829 [0,1,1,0,0,0|1,0,1]=4 73 B11R2.1 Cc1c[nH]c2ccccc12 T5281 [1,1,0,0,0,0|1,0,0]=3 74 B11R2.1 O=C1CCc2ccccc12 T0564 [1,1,0,0,0,0|1,0,1]=4 75 B11R2.36 Brc1ccc2[nH]ccc2c1 T7473 [1,1,0,0,0,0|1,0,0]=3 76 B11R2.36 Oc1ccc2OCOc2c1 T3676 [1,1,0,0,0,0|1,0,1]=4 77 B11R2.36 Oc1ccc2cc[nH]c2c1 T5682 [1,1,0,0,0,0|1,0,0]=3 78 B13R2.32 O=C1C=Cc2ccccc2C1=O T20410 [0,1,0,0,0,1|2,0,0]=4 79 B13R2.57 COc1ccc2ccccc2c1 T0573 [0,1,0,0,0,1|1,0,0]=3 80 B13R2.57 N#Cc1ccc2ccccc2c1 T20261 [0,1,0,0,0,1|1,0,1]=4 81 B13R2.155 Cc1ccc2ccc(=O)oc2c1 T7934 [0,1,0,0,0,1|1,0,0]=3 82 B13R2.155 Oc1ccc2ccc(=O)[nH]c2c1 T22226 [0,1,0,0,0,1|2,0,0]=4 83 B13R2.155 Oc1ccc2ccc(=O)oc2c1 T1693 [0,1,0,0,0,1|1,0,0]=3 84 B13R2.162 Oc1cccc2ccc(=O)[nH]c12 T2291 [0,1,0,0,0,1|2,0,0]=4 85 B13R2.328 O=c1[nH]c(=O)c2ccccc2o1 T0258 [0,1,0,0,0,1|1,0,0]=3 86 B13R2.328 O[Bi]1OC(=O)c2ccccc2O1 T0424 [0,1,0,0,0,1|2,0,0]=4 87 B13R2.328 Oc1cc(=O)oc2ccccc12 PDK0015 [0,1,0,0,0,1|1,0,0]=3 88 B13R2.328 Oc1cc2ccccc2c(O)c1 TD0092 [0,1,0,0,0,1|2,0,0]=4 89 B13R2.328 Oc1nc(O)c2ccccc2n1 T8020 [0,1,0,0,0,1|2,0,0]=4 90 B13R2.369 CN1Cc2ccccc2NC1=O T50006 [0,1,0,0,0,1|2,0,0]=4 91 B13R2.369 Cc1cc2ccccc2[nH]c1=O T50035 [0,1,0,0,0,1|1,0,0]=3 92 B13R2.369 Nc1cc2ccccc2cc1N T18881 [0,1,0,0,0,1|2,0,0]=4 93 B13R2.369 Nc1cc2ccccc2oc1=O TN1243 [0,1,0,0,0,1|1,0,0]=3 94 B13R2.369 O=c1[nH]c2ccccc2[nH]c1=O T20436 [0,1,0,0,0,1|2,0,0]=4 95 B13R2.369 Oc1cc2ccccc2oc1=O T8002 [0,1,0,0,0,1|1,0,0]=3 96 B13R2.3683 Cc1ccc2nc(C)ccc2c1 T37784 [0,1,0,0,0,1|1,0,0]=3 97 B13R2.3683 Cc1ccc2oc(=O)ccc2c1 T5647 [0,1,0,0,0,1|1,0,0]=3 98 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 T9432 [0,1,0,0,0,1|2,0,0]=4 99 B13R2.3683 Oc1ccc2oc(=O)ccc2c1 T2S0357 [0,1,0,0,0,1|1,0,0]=3 100 B13R2.5179 Oc1cnc2c(O)cccc2c1 T32291 [0,1,0,0,0,1|2,0,0]=4 101 B13R2.45 N/C=C1\Cc2ccccc2C1=O T31576 [0,2,0,0,0,0|1,0,1]=4 102 B13R2.135 O/N=C1\C(=O)Nc2ccccc12 T21219 [0,2,0,0,0,0|2,0,0]=4 103 B13R2.3085 O=C1N(C)C(C2=C1C=CC=C2)=O T20314 [0,2,0,0,0,0|2,0,0]=4 104 B13R2.2121 COc1ccc2[nH]c(=O)oc2c1 T2S2108 [0,2,0,0,0,0|2,0,0]=4 105 B9R0.2 C/C=C/C=C/C=C/C(O)=O T33059 [0,0,2,0,0,0|1,0,1]=4 106 B9R1.6 CC(=O)c1ccccc1 T7446 [0,0,1,0,1,0|0,0,1]=3 107 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,0,1,0,1,0|0,0,1]=3 108 B9R1.6 NC(=N)c1ccccc1 T8362 [0,0,1,0,1,0|2,0,0]=4 109 B9R1.6 NC(=O)c1ccccc1 T6780 [0,0,1,0,1,0|1,0,1]=4 110 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [0,0,1,0,1,0|2,0,0]=4 111 B9R1.6 OB(O)c1ccccc1 T30355 [0,0,1,0,1,0|2,0,0]=4 112 B9R1.6 OC(=O)c1ccccc1 T0833 [0,0,1,0,1,0|1,0,0]=3 113 B9R1.6 OC(=O)c1ccccn1 T4850 [0,0,1,0,1,0|2,0,0]=4 114 B9R1.6 OC(=O)c1cccnc1 T0879 [0,0,1,0,1,0|2,0,0]=4 115 B9R1.6 OC(=O)c1ccncc1 Fr13756 [0,0,1,0,1,0|2,0,0]=4 116 B9R1.6 OP(=O)c1ccccc1 T20416 [0,0,1,0,1,0|2,0,0]=4 117 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [0,0,1,0,1,0|1,0,1]=4 118 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [0,0,1,0,0,1|0,0,1]=3 119 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [0,0,1,0,0,1|0,0,1]=3 120 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [0,0,1,0,0,1|0,0,2]=4 121 B11R1.91 CC(=O)COc1ccccc1 T25944 [0,0,1,0,0,1|1,0,0]=3 122 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,0,1,0,0,1|0,0,2]=4 123 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,0,1,0,0,1|1,0,0]=3 124 B11R1.91 CC(C)=NNc1ccccc1 T29585 [0,0,1,0,0,1|1,0,1]=4 125 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T13669 [0,0,1,0,0,1|1,0,1]=4 126 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T20050 [0,0,1,0,0,1|1,0,1]=4 127 B11R1.91 OC(=O)/C=C/c1ccccc1 T2740 [0,0,1,0,0,1|1,0,0]=3 128 B11R1.91 OC(=O)CCc1ccccc1 T3731 [0,0,1,0,0,1|1,0,1]=4 129 B11R1.91 OC(C=Cc1ccccc1)=O T5646 [0,0,1,0,0,1|1,0,0]=3 130 B11R2.18 c1cc2cccccc2c1 T8116 [1,0,0,0,0,1|1,0,0]=3