0 B11R2.1 Cc1c[nH]c2ccccc12 T5281 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.1 Nn1nnc2ccccc12 T5953 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.1 O=C1CCc2ccccc12 T0564 [0,0,0,0,0,0|2,0,1]=3 3 B11R2.1 Oc1noc2CNCCc12 T13150 [0,0,0,0,0,0|1,0,3]=4 4 B11R2.1 Oc1noc2CNCCc12 T7803 [0,0,0,0,0,0|1,0,3]=4 5 B11R2.1 [O-][n+]1onc2ccccc12 T7977 [0,0,0,0,0,0|3,0,1]=4 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|1,0,1]=3 8 B10R2.7 c1[nH]nc2ccccc12 T2192 [1,0,0,0,0,0|1,0,1]=3 9 B10R2.7 c1cc2ccccc2[nH]1 T4799 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.1 NCc1c[nH]c2ccccc12 T19373 [0,1,0,0,0,0|3,0,0]=4 11 B12R2.1 O=Cc1c[nH]c2ccccc12 T8105 [0,1,0,0,0,0|2,0,1]=4 12 B12R2.1 O=Cc1coc2ccccc12 T7973 [0,1,0,0,0,0|1,0,1]=3 13 B12R2.1 OCc1c[nH]c2ccccc12 T2947 [0,1,0,0,0,0|2,0,0]=3 14 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,1,0,0,0,0|2,0,1]=4 15 B12R2.612 Clc1ccc2c(c1)s[nH]c2=O T20972 [0,1,0,0,0,0|0,1,2]=4 16 B12R2.612 Fc1ccc2c(c1)s[nH]c2=O T5601 [0,1,0,0,0,0|0,1,2]=4 17 B12R2.612 OB1OCc2cc(Cl)ccc12 T4040 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.612 OB1OCc2cc(F)ccc12 T3349 [0,1,0,0,0,0|3,0,0]=4 19 B12R2.612 Oc1n[nH]c2cc(F)ccc12 T5206 [0,1,0,0,0,0|1,0,0]=2 20 B12R2.2028 S=C1NC(=S)c2ccccc12 T25525 [0,1,0,0,0,0|1,1,1]=4 21 B10R1.15 C=CC(=O)c1ccccc1 T20607 [0,0,1,0,0,0|2,0,1]=4 22 B10R1.15 CNC(=O)c1ccccc1 T12150 [0,0,1,0,0,0|1,0,2]=4 23 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [0,0,1,0,0,0|2,0,1]=4 24 B10R1.15 NC(=NO)c1ccccn1 T20580 [0,0,1,0,0,0|2,0,0]=3 25 B10R1.15 NCC(O)c1ccccc1 T4873 [0,0,1,0,0,0|2,0,1]=4 26 B10R1.15 NNC(=S)c1ccccc1 T10513 [0,0,1,0,0,0|1,1,1]=4 27 B10R1.15 O=CC(=O)c1ccccc1 T38465 [0,0,1,0,0,0|1,0,2]=4 28 B10R1.15 OC(C=C)c1ccccc1 T50007 [0,0,1,0,0,0|2,0,1]=4 29 B10R1.15 OCC(O)c1ccccc1 T1346 [0,0,1,0,0,0|1,0,1]=3 30 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [0,0,1,0,0,0|2,0,1]=4 31 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [0,0,1,0,0,0|2,0,1]=4 32 B10R1.17 O=CCCc1ccccc1 T20312 [0,0,1,0,0,0|2,0,1]=4 33 B10R1.17 OC/C=C/c1ccccc1 TN2982 [0,0,1,0,0,0|2,0,1]=4 34 B10R1.17 OCC=Cc1ccccc1 T5S1550 [0,0,1,0,0,0|2,0,1]=4 35 B10R1.17 OCCCc1ccccc1 T3754 [0,0,1,0,0,0|2,0,1]=4 36 B10R1.17 OCCOc1ccccc1 T20293 [0,0,1,0,0,0|1,0,1]=3 37 B10R1.17 S=C=NCc1ccccc1 T1082 [0,0,1,0,0,0|1,1,1]=4 38 B10R1.20 COc1ccccc1CN T1372 [0,0,1,0,0,0|2,0,1]=4 39 B10R1.20 COc1ccccc1OC T20326 [0,0,1,0,0,0|3,0,0]=4 40 B10R1.61 CC(=O)c1ccccc1C T36788 [0,0,1,0,0,0|2,0,1]=4 41 B10R1.61 CC(=O)c1ccccc1Cl T20449 [0,0,1,0,0,0|2,0,1]=4 42 B10R1.61 CC(=O)c1ccccc1O TCS1856 [0,0,1,0,0,0|1,0,1]=3 43 B10R1.61 Cc1ccccc1C(O)=O T8068 [0,0,1,0,0,0|2,0,0]=3 44 B10R1.61 NC(=O)c1ccccc1O T0004 [0,0,1,0,0,0|0,0,2]=3 45 B10R1.61 OC(=O)c1ccccc1I T20881 [0,0,1,0,0,0|2,0,0]=3 46 B10R1.61 OC(=O)c1ccccc1O T0649 [0,0,1,0,0,0|1,0,0]=2 47 B10R1.61 OC(=O)c1ccccc1O T27597 [0,0,1,0,0,0|1,0,0]=2 48 B10R1.61 OC(=O)c1ncccc1O T5986 [0,0,1,0,0,0|2,0,0]=3 49 B10R1.61 OC(=O)c1ncccc1S T12929 [0,0,1,0,0,0|2,1,0]=4 50 B10R1.61 Oc1ccccc1C(S)=S T31535 [0,0,1,0,0,0|1,1,0]=3 51 B10R1.61 Oc1ccccc1C([O-])=O T0335 [0,0,1,0,0,0|1,0,1]=3 52 B10R1.61 Oc1ccccc1C([O-])=O T20668 [0,0,1,0,0,0|1,0,1]=3 53 B12R2.24 Clc1ccc2ccccc2c1 T20317 [0,0,0,0,0,1|3,0,0]=4 54 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,0,0,1|2,0,1]=4 55 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,0,0,1|2,0,1]=4 56 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,0,0,1|2,0,1]=4 57 B12R2.24 Oc1ccc2ccccc2c1 T0671 [0,0,0,0,0,1|2,0,0]=3 58 B12R2.1081 Brc1cccc2ccccc12 T29891 [0,0,0,0,0,1|3,0,0]=4 59 B12R2.1081 Fc1cccc2ccccc12 T0541 [0,0,0,0,0,1|3,0,0]=4 60 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T19999 [0,0,0,0,0,1|2,0,1]=4 61 B12R2.1081 Oc1cccc2ccccc12 T10023 [0,0,0,0,0,1|2,0,0]=3 62 B12R2.1081 Oc1cccc2cccnc12 T0404 [0,0,0,0,0,1|3,0,0]=4 63 B12R2.1081 Oc1cccc2cccnc12 T7887 [0,0,0,0,0,1|3,0,0]=4 64 B12R2.1081 Oc1ccnc2ccccc12 T4272 [0,0,0,0,0,1|2,0,0]=3 65 B12R2.1081 Oc1ncnc2ccccc12 TMO2713 [0,0,0,0,0,1|1,0,0]=2 66 B12R2.1081 Sc1cccc2ccccc12 T20404 [0,0,0,0,0,1|2,1,0]=4 67 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,1,0,0,0|1,0,1]=4 68 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,1,0,0,0|1,0,1]=4 69 B9R1.6 NC(=N)c1ccccc1 T8362 [1,0,1,0,0,0|1,0,0]=3 70 B9R1.6 NC(=O)c1ccccc1 T6780 [1,0,1,0,0,0|0,0,2]=4 71 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [1,0,1,0,0,0|1,0,1]=4 72 B9R1.6 OB(O)c1ccccc1 T30355 [1,0,1,0,0,0|1,0,0]=3 73 B9R1.6 OC(=O)c1ccccc1 T0833 [1,0,1,0,0,0|0,0,1]=3 74 B9R1.6 OC(=O)c1ccccn1 T4850 [1,0,1,0,0,0|1,0,1]=4 75 B9R1.6 OC(=O)c1cccnc1 T0879 [1,0,1,0,0,0|1,0,1]=4 76 B9R1.6 OC(=O)c1ccncc1 Fr13756 [1,0,1,0,0,0|1,0,1]=4 77 B9R1.6 OP(=O)c1ccccc1 T20416 [1,0,1,0,0,0|1,0,1]=4 78 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [1,0,1,0,0,0|0,0,2]=4 79 B9R1.8 CCOc1ccccc1 T19753 [1,0,1,0,0,0|1,0,1]=4 80 B9R1.8 O/N=C/c1ccccc1 T20350 [1,0,1,0,0,0|0,0,0]=2 81 B9R1.8 O=CCc1ccccc1 TCS1857 [1,0,1,0,0,0|1,0,1]=4 82 B9R1.8 OCCc1ccccc1 T0011 [1,0,1,0,0,0|1,0,1]=4 83 B9R1.15 COc1ccccc1O T1301 [1,0,1,0,0,0|1,0,0]=3 84 B9R1.15 NCc1ccccc1O T41358 [1,0,1,0,0,0|0,0,2]=4 85 B9R1.15 OCc1ccccc1O T0311 [1,0,1,0,0,0|0,0,1]=3 86 B11R1.16 CC(/C=N/O)c1ccccc1 T29369 [0,1,1,0,0,0|1,0,1]=4 87 B11R1.22 C/C(=N\O)c1ccc(O)cc1 T10143 [0,1,1,0,0,0|1,0,0]=3 88 B11R1.36 CC(O)C(=O)c1ccccc1 T29353 [0,1,1,0,0,0|1,0,1]=4 89 B11R1.36 C[C@H](O)[C@H](O)c1ccccc1 TN4002 [0,1,1,0,0,0|1,0,1]=4 90 B11R1.36 OC(=O)C(=C)c1ccccc1 T0629 [0,1,1,0,0,0|2,0,0]=4 91 B11R1.36 OC(=O)C(=O)c1ccccc1 T8025 [0,1,1,0,0,0|1,0,1]=4 92 B11R1.36 OC(C(O)=O)c1ccccc1 T33320 [0,1,1,0,0,0|1,0,1]=4 93 B11R1.36 OC(C(O)=O)c1ccccc1 T4848 [0,1,1,0,0,0|1,0,1]=4 94 B11R1.36 O[C@@H](C(O)=O)c1ccccc1 T2S0122 [0,1,1,0,0,0|1,0,1]=4 95 B11R1.28 OCCOCc1ccccc1 T14013 [0,1,1,0,0,0|1,0,1]=4 96 B11R1.91 CC(=O)COc1ccccc1 T25944 [0,1,1,0,0,0|1,0,1]=4 97 B11R1.91 CC(C)=NNc1ccccc1 T29585 [0,1,1,0,0,0|2,0,0]=4 98 B11R1.91 OC(=O)/C=C/c1ccccc1 T2740 [0,1,1,0,0,0|2,0,0]=4 99 B11R1.91 OC(=O)CCc1ccccc1 T3731 [0,1,1,0,0,0|2,0,0]=4 100 B11R1.91 OC(C=Cc1ccccc1)=O T5646 [0,1,1,0,0,0|2,0,0]=4 101 B11R1.53 COc1ccccc1C(O)=O T5874 [0,1,1,0,0,0|1,0,0]=3 102 B11R1.53 OC(=O)c1ccccc1C=O TN6514 [0,1,1,0,0,0|2,0,0]=4 103 B11R1.53 OCc1ccccc1C(O)=O T36787 [0,1,1,0,0,0|2,0,0]=4 104 B11R1.156 OC(=O)c1c(O)cccc1O T5873 [0,1,1,0,0,0|1,0,0]=3 105 B11R1.159 Cc1cccc(C(O)=O)c1O T1423 [0,1,1,0,0,0|1,0,0]=3 106 B11R1.159 Nc1c(O)cccc1C(O)=O T4707 [0,1,1,0,0,0|2,0,0]=4 107 B11R1.159 OC(=O)c1cccc(O)c1O T4810 [0,1,1,0,0,0|1,0,0]=3 108 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,1,1,0,0,0|1,0,1]=4 109 B11R1.166 CC(=O)c1ccc(O)cc1O T3751 [0,1,1,0,0,0|1,0,1]=4 110 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [0,1,1,0,0,0|1,0,0]=3 111 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T0441 [0,1,1,0,0,0|1,0,0]=3 112 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T1296 [0,1,1,0,0,0|1,0,0]=3 113 B11R1.166 Nc1ccc(C([O-])=O)c(O)c1 T0020 [0,1,1,0,0,0|1,0,1]=4 114 B11R1.166 OC(=O)c1ccc(Cl)cc1O T0666 [0,1,1,0,0,0|1,0,0]=3 115 B11R1.166 OC(=O)c1ccc(O)cc1O T5890 [0,1,1,0,0,0|1,0,0]=3 116 B11R1.167 CC(=O)c1cc(O)ccc1O TCS2170 [0,1,1,0,0,0|1,0,1]=4 117 B11R1.167 Nc1ccc(Cl)cc1C(O)=O T0567 [0,1,1,0,0,0|2,0,0]=4 118 B11R1.167 Nc1ccc(O)c(c1)C(O)=O T0646 [0,1,1,0,0,0|1,0,0]=3 119 B11R1.167 OC(=O)c1cc(O)ccc1O T2857 [0,1,1,0,0,0|1,0,0]=3 120 B11R2.10 O=c1[nH]c2ccccc2o1 T5572 [1,1,0,0,0,0|2,0,0]=4 121 B11R2.36 Brc1ccc2[nH]ccc2c1 T7473 [1,1,0,0,0,0|2,0,0]=4 122 B11R2.36 Oc1ccc2OCOc2c1 T3676 [1,1,0,0,0,0|2,0,0]=4 123 B11R2.36 Oc1ccc2cc[nH]c2c1 T5682 [1,1,0,0,0,0|2,0,0]=4 124 B13R2.32 On1nnc2ccccc2c1=O T21267 [0,1,0,0,0,1|2,0,0]=4 125 B13R2.57 COc1ccc2ccccc2c1 T0573 [0,1,0,0,0,1|2,0,0]=4 126 B13R2.155 OC1=Nc2cc(O)ccc2CC1 T5887 [0,1,0,0,0,1|2,0,0]=4 127 B13R2.328 Oc1cc2ccccc2c(O)c1 TD0092 [0,1,0,0,0,1|2,0,0]=4 128 B13R2.328 Oc1nc(O)c2ccccc2n1 T8020 [0,1,0,0,0,1|1,0,0]=3 129 B13R2.369 Nc1cc2ccccc2oc1=O TN1243 [0,1,0,0,0,1|2,0,0]=4 130 B13R2.369 Oc1cc2ccccc2oc1=O T8002 [0,1,0,0,0,1|1,0,0]=3 131 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 T9432 [0,1,0,0,0,1|2,0,0]=4 132 B13R2.5179 Oc1cnc2c(O)cccc2c1 T32291 [0,1,0,0,0,1|2,0,0]=4 133 B13R2.342 Oc1cccc2c(O)nccc12 T7042 [0,1,0,0,0,1|1,0,0]=3 134 B13R2.1613 NNc1nncc2ccccc12 T1613 [0,1,0,0,0,1|2,0,0]=4 135 B13R2.1613 c/12c(cn[nH]c1=N\N)cccc2 T21041 [0,1,0,0,0,1|2,0,0]=4 136 B13R2.1 CCNc1nsc2ccccc12 T31721 [0,2,0,0,0,0|1,1,0]=4 137 B13R2.1 OCCc1c[nH]c2ccccc12 T4876 [0,2,0,0,0,0|2,0,0]=4 138 B13R2.72 OC(=O)c1c[nH]c2ccccc12 T5984 [0,2,0,0,0,0|2,0,0]=4 139 B13R2.135 O/N=C1\C(=O)Nc2ccccc12 T21219 [0,2,0,0,0,0|2,0,0]=4 140 B13R2.2136 NCC1=NNC2=CC=C(Cl)C=C12 T22273 [0,2,0,0,0,0|2,0,0]=4 141 B9R0.2 C/C=C/C=C/C=C/C(O)=O T33059 [0,0,2,0,0,0|2,0,0]=4 142 B11R1.86 OC(=O)Cc1ccccc1O T5308 [0,0,1,0,0,1|1,0,0]=3