0 B11R2.1 Nn1nnc2ccccc21 T5953 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.1 O=C1CCc2ccccc21 T0564 [0,0,0,0,0,0|1,0,0]=1 2 B11R2.1 [O-][n+]1onc2ccccc21 T7977 [0,0,0,0,0,0|2,0,1]=3 3 B10R2.7 C1=CC2=N[Se]N=C2C=C1 T20536 [1,0,0,0,0,0|2,1,0]=4 4 B10R2.7 c1ccc2c(c1)CCO2 Fr14127 [1,0,0,0,0,0|2,0,0]=3 5 B12R2.1 O=Cc1coc2ccccc12 T7973 [0,1,0,0,0,0|2,0,0]=3 6 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,1,0,0,0,0|2,0,0]=3 7 B12R2.612 O=c1nsc2cc(F)ccc12 T5601 [0,1,0,0,0,0|2,0,0]=3 8 B12R2.612 OB1OCc2cc(Cl)ccc21 T4040 [0,1,0,0,0,0|1,0,1]=3 9 B12R2.612 OB1OCc2cc(F)ccc21 T3349 [0,1,0,0,0,0|1,0,1]=3 10 B10R1.15 C=CC(=O)C1=CC=CC=C1 T20607 [0,0,1,0,0,0|1,0,1]=3 11 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,0,1,0,0,0|2,0,0]=3 12 B10R1.15 COC(=O)c1cccnc1 T5562 [0,0,1,0,0,0|1,0,0]=2 13 B10R1.15 NNC(=O)C1=CC=CC=N1 T1374 [0,0,1,0,0,0|3,0,0]=4 14 B10R1.15 NNC(=O)c1cccnc1 T0664 [0,0,1,0,0,0|3,0,0]=4 15 B10R1.15 NNC(=O)c1ccncc1 T0972 [0,0,1,0,0,0|3,0,0]=4 16 B10R1.17 NNCCc1ccccc1 T12441 [0,0,1,0,0,0|3,0,0]=4 17 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [0,0,1,0,0,0|1,0,1]=3 18 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [0,0,1,0,0,0|1,0,1]=3 19 B10R1.17 OCCCC1=CC=CC=C1 T3754 [0,0,1,0,0,0|1,0,2]=4 20 B10R1.17 S=C=NCc1ccccc1 T1082 [0,0,1,0,0,0|1,1,1]=4 21 B10R1.20 COc1ccccc1CN T1372 [0,0,1,0,0,0|3,0,0]=4 22 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [0,0,1,0,0,0|2,0,0]=3 23 B10R1.61 Cc1ccccc1C(=O)O T8068 [0,0,1,0,0,0|0,0,0]=1 24 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [0,0,1,0,0,0|2,0,0]=3 25 B10R1.61 O=C(O)C1=NC=CC=C1S T12929 [0,0,1,0,0,0|2,0,0]=3 26 B10R1.61 O=C(O)c1ccccc1O T0649 [0,0,1,0,0,0|1,0,0]=2 27 B10R1.61 O=C(O)c1ncccc1O T5986 [0,0,1,0,0,0|2,0,0]=3 28 B10R1.61 O=C([O-])c1ccccc1O T0335 [0,0,1,0,0,0|1,0,1]=3 29 B10R1.61 O=C([O-])c1ccccc1[O-] T0424 [0,0,1,0,0,0|1,0,1]=3 30 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,0,0,1|1,0,0]=2 31 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,0,0,1|1,0,0]=2 32 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,0,0,1|1,0,1]=3 33 B12R2.24 Oc1ccc2ccccc2c1 T0671 [0,0,0,0,0,1|1,0,2]=4 34 B12R2.1081 Fc1cccc2ccccc12 T0541 [0,0,0,0,0,1|2,0,1]=4 35 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 T10023 [0,0,0,0,0,1|1,0,2]=4 36 B12R2.1081 Oc1ccnc2ccccc12 T4272 [0,0,0,0,0,1|1,0,2]=4 37 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,1,0,0,0|0,0,0]=2 38 B9R1.6 CC(=O)c1cnccn1 T5596 [1,0,1,0,0,0|2,0,0]=4 39 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,1,0,0,0|0,0,2]=4 40 B9R1.6 N=C(N)c1ccccc1 T8362 [1,0,1,0,0,0|2,0,0]=4 41 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [1,0,1,0,0,0|1,0,0]=3 42 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [1,0,1,0,0,0|2,0,0]=4 43 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [1,0,1,0,0,0|2,0,0]=4 44 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [1,0,1,0,0,0|2,0,0]=4 45 B9R1.6 O=C(O)c1ccccc1 T0833 [1,0,1,0,0,0|0,0,0]=2 46 B9R1.6 O=C(O)c1ccccn1 T4850 [1,0,1,0,0,0|1,0,0]=3 47 B9R1.6 O=C(O)c1cccnc1 T0879 [1,0,1,0,0,0|1,0,0]=3 48 B9R1.6 O=C(O)c1ccncc1 Fr13756 [1,0,1,0,0,0|1,0,0]=3 49 B9R1.6 O=C(O)c1cnccn1 T0569 [1,0,1,0,0,0|2,0,0]=4 50 B9R1.6 O=C([O-])c1ccccc1 T8124 [1,0,1,0,0,0|0,0,1]=3 51 B9R1.6 O=C([O-])c1ccccn1 T4575 [1,0,1,0,0,0|1,0,1]=4 52 B9R1.8 NCCc1ccccc1 T2935 [1,0,1,0,0,0|1,0,1]=4 53 B9R1.8 NCCc1ccccc1 T7433 [1,0,1,0,0,0|1,0,1]=4 54 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [1,0,1,0,0,0|0,0,0]=2 55 B9R1.8 OCCC1=CC=CC=C1 T0011 [1,0,1,0,0,0|0,0,2]=4 56 B9R1.15 COc1ccccc1O T1301 [1,0,1,0,0,0|2,0,0]=4 57 B9R1.15 COc1ccccc1O T3267 [1,0,1,0,0,0|2,0,0]=4 58 B9R1.15 OCc1ccccc1O T0311 [1,0,1,0,0,0|0,0,1]=3 59 B11R1.16 O=C(CCCl)c1ccccc1 T1342 [0,1,1,0,0,0|1,0,0]=3 60 B11R1.16 O=C(NCO)c1cccnc1 T7869 [0,1,1,0,0,0|2,0,0]=4 61 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [0,1,1,0,0,0|1,0,0]=3 62 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,1,0,0,0|0,0,0]=2 63 B11R1.22 O=C(CBr)c1ccc(O)cc1 T7084 [0,1,1,0,0,0|2,0,0]=4 64 B11R1.23 COC(=O)c1cncc(C)c1 T0548 [0,1,1,0,0,0|1,0,0]=3 65 B11R1.36 O=C(O)C(=O)c1ccccc1 T8025 [0,1,1,0,0,0|2,0,0]=4 66 B11R1.222 COC(=O)C1=NC=CN=C1N T22363 [0,1,1,0,0,0|2,0,0]=4 67 B11R1.222 COC(=O)c1ccccc1N TN1925 [0,1,1,0,0,0|0,0,0]=2 68 B11R1.222 COC(=O)c1ccccc1O T0399 [0,1,1,0,0,0|0,0,0]=2 69 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [0,1,1,0,0,0|1,0,0]=3 70 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,1,1,0,0,0|1,0,0]=3 71 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,1,1,0,0,0|0,0,0]=2 72 B11R1.91 CC(=O)\C=C\c1ccccc1 TCS1554 [0,1,1,0,0,0|1,0,1]=4 73 B11R1.91 O=C(O)CCc1ccccc1 T3731 [0,1,1,0,0,0|1,0,0]=3 74 B11R1.91 O=C(O)\C=C\c1ccccc1 T2740 [0,1,1,0,0,0|1,0,1]=4 75 B11R1.91 O=C(O)\C=C\c1ccccc1 T5646 [0,1,1,0,0,0|1,0,1]=4 76 B11R1.53 COc1ccccc1C(=O)O T5874 [0,1,1,0,0,0|2,0,0]=4 77 B11R1.87 Cc1ccccc1S(N)(=O)=O T0571 [0,1,1,0,0,0|1,0,1]=4 78 B11R1.87 Nc1ccccc1S(=O)(=O)O T4835 [0,1,1,0,0,0|2,0,0]=4 79 B11R1.156 O=C(O)c1c(O)cccc1O T5873 [0,1,1,0,0,0|1,0,0]=3 80 B11R1.159 Cc1cccc(C(=O)O)c1O T1423 [0,1,1,0,0,0|1,0,0]=3 81 B11R1.159 Nc1c(O)cccc1C(=O)O T4707 [0,1,1,0,0,0|1,0,0]=3 82 B11R1.159 O=C(O)c1cccc(O)c1O T4810 [0,1,1,0,0,0|1,0,0]=3 83 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,1,1,0,0,0|2,0,0]=4 84 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,1,1,0,0,0|2,0,0]=4 85 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 T0441 [0,1,1,0,0,0|1,0,0]=3 86 B11R1.166 Nc1ccc(C(=O)O)c(O)c1 T1296 [0,1,1,0,0,0|1,0,0]=3 87 B11R1.166 Nc1ccc(C(=O)[O-])c(O)c1 T0020 [0,1,1,0,0,0|1,0,1]=4 88 B11R1.166 O=C(O)c1ccc(Cl)cc1O T0666 [0,1,1,0,0,0|1,0,0]=3 89 B11R1.166 O=C(O)c1ccc(O)cc1O T5890 [0,1,1,0,0,0|1,0,0]=3 90 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 TCS2170 [0,1,1,0,0,0|2,0,0]=4 91 B11R1.167 Nc1ccc(Cl)cc1C(=O)O T0567 [0,1,1,0,0,0|1,0,0]=3 92 B11R1.167 Nc1ccc(O)c(C(=O)O)c1 T0646 [0,1,1,0,0,0|1,0,0]=3 93 B11R1.167 O=C(O)c1cc(O)ccc1O T2857 [0,1,1,0,0,0|1,0,0]=3 94 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [1,1,0,0,0,0|2,0,0]=4 95 B13R2.155 Cc1ccc2ccc(=O)oc2c1 T7934 [0,1,0,0,0,1|1,0,1]=4 96 B13R2.155 O=C1CCc2ccc(O)cc2N1 T5887 [0,1,0,0,0,1|1,0,0]=3 97 B13R2.155 O=c1ccc2ccc(O)cc2o1 T1693 [0,1,0,0,0,1|1,0,1]=4 98 B13R2.162 O=C1C=CC2=C(N1)C(O)=CC=C2 T2291 [0,1,0,0,0,1|1,0,1]=4 99 B13R2.328 O=C1NC(=O)c2ccccc2N1 T8020 [0,1,0,0,0,1|1,0,1]=4 100 B13R2.328 O=c1cc(O)c2ccccc2o1 PDK0015 [0,1,0,0,0,1|1,0,1]=4 101 B13R2.328 O=c1nc(=O)c2ccccc2o1 T0258 [0,1,0,0,0,1|1,0,1]=4 102 B13R2.369 NC1=Cc2ccccc2OC1=O TN1243 [0,1,0,0,0,1|1,0,1]=4 103 B13R2.369 O=C1Oc2ccccc2C=C1O T8002 [0,1,0,0,0,1|1,0,1]=4 104 B13R2.3683 Cc1ccc2oc(=O)ccc2c1 T5647 [0,1,0,0,0,1|1,0,1]=4 105 B13R2.3683 O=c1ccc2cc(O)ccc2o1 T2S0357 [0,1,0,0,0,1|1,0,1]=4 106 B13R2.342 O=C1CCCc2c(O)cccc21 T5662 [0,1,0,0,0,1|1,0,0]=3 107 B13R2.371 O=C1C=CC(=O)c2ccccc21 T7048 [0,1,0,0,0,1|1,0,1]=4 108 B13R2.12159 O=C1NS(=O)(=O)c2ccccc21 T0889 [0,2,0,0,0,0|2,0,0]=4 109 B13R2.12159 O=C1NS(=O)(=O)c2ccccc21 T6974 [0,2,0,0,0,0|2,0,0]=4 110 B13R2.12159 O=C1SS(=O)(=O)C2=CC=CC=C12 T14522 [0,2,0,0,0,0|1,1,0]=4 111 B9R1.11 COC(=O)c1ccco1 T8022 [0,0,1,0,1,0|1,0,0]=3 112 B11R1.86 O=C(O)Cc1ccccc1O T5308 [0,0,1,0,0,1|1,0,0]=3