0 B11R1.16 CCCC(=O)c1ccccc1 T20324 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.16 CCOC(=O)C1=CCCNC1 TJS0123 [0,0,0,0,0,0|1,0,3]=4 2 B11R1.16 CCOC(=O)c1ccccc1 TN4020 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.16 ClCCC(=O)c1ccccc1 T1342 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.16 OCNC(=O)c1cccnc1 T7869 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.16 [N-]=[N+]=NC(=O)c1cccnc1 T24533 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.15 C=CC(=O)c1ccccc1 T20607 [1,0,0,0,0,0|0,0,2]=3 7 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.15 CNC(=O)c1ccccc1 T12150 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.15 CNC(=O)c1cccnc1 T5233 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.15 COC(=O)c1cccnc1 T5562 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.15 COC(c1ncccc1)=O T22220 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.15 NCC(O)c1ccccc1 T4873 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.15 NNC(=O)c1ccccn1 T1374 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.15 NNC(=O)c1cccnc1 T0664 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.15 NNC(=O)c1ccncc1 T0972 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.15 NNC(=S)c1ccccc1 T10513 [1,0,0,0,0,0|2,1,0]=4 17 B10R1.15 O=CC(=O)c1ccccc1 T38465 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.15 OCC(O)c1ccccc1 T1346 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.17 CCOCc1ccccc1 T36790 [1,0,0,0,0,0|0,0,1]=2 20 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.17 OC/C=C/c1ccccc1 TN2982 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.17 OCC=Cc1ccccc1 T5S1550 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.17 OCCCc1ccccc1 T3754 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.17 OCCOc1ccccc1 T20293 [1,0,0,0,0,0|3,0,0]=4 26 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,1,0,0,0,0|1,0,0]=2 27 B12R1.16 CCOC(=O)c1ccc(N)cc1 T0924 [0,1,0,0,0,0|0,0,0]=1 28 B12R1.16 CCOC(=O)c1ccc(N)cc1 T6782 [0,1,0,0,0,0|0,0,0]=1 29 B12R1.16 CCOC(=O)c1ccc(O)cc1 T0834 [0,1,0,0,0,0|0,0,0]=1 30 B12R1.16 OCCC(=O)c1ccc(O)cc1 TN5924 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.17 CCOC(=O)c1cccc(O)c1 T20469 [0,1,0,0,0,0|0,0,0]=1 32 B12R1.17 CCOC(c1cc(N)ccc1)=O T21483 [0,1,0,0,0,0|0,0,0]=1 33 B12R1.30 CCCCC(O)c1ccccc1 T0857 [0,1,0,0,0,0|1,0,2]=4 34 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [0,1,0,0,0,0|1,0,1]=3 35 B12R1.107 CC(C)CC(=O)c1ccccc1 T20363 [0,1,0,0,0,0|1,0,0]=2 36 B12R1.107 CC(C)OC(=O)c1ccccc1 T32225 [0,1,0,0,0,0|0,0,0]=1 37 B12R1.107 CS(=O)CC(=O)c1ccccn1 T33841 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.308 CCOC(=O)c1ccccc1O TN1625 [0,1,0,0,0,0|0,0,0]=1 39 B12R1.308 NCCC(=O)c1ccccc1N T32431 [0,1,0,0,0,0|2,0,0]=3 40 B12R2.2 C1CN=C(C1)c2cccnc2 T7671 [0,0,0,1,0,0|3,0,0]=4 41 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T19999 [0,0,0,1,0,0|1,0,2]=4 42 B10R1.11 CCCC(=O)c1cccs1 T20377 [0,0,0,0,1,0|2,0,0]=3 43 B12R1.32 CCCC(=O)Oc1ccccc1 T25946 [0,0,0,0,0,1|1,0,0]=2 44 B12R1.32 CCOC(=O)Cc1ccccc1 T19317 [0,0,0,0,0,1|0,0,0]=1 45 B9R1.6 CC(=O)c1ccccc1 T7446 [2,0,0,0,0,0|0,0,0]=2 46 B9R1.6 CC(=O)c1cnccn1 T5596 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.6 C[C@H](O)c1ccccc1 T4784 [2,0,0,0,0,0|0,0,2]=4 48 B9R1.6 NC(=N)c1ccccc1 T8362 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.6 NC(=O)c1ccccc1 T6780 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.6 NC(=O)c1ccccn1 T6942 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.6 NC(=O)c1cccnc1 T0934 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.6 NC(=O)c1ccncc1 T0552 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [2,0,0,0,0,0|1,0,0]=3 54 B9R1.6 OB(O)c1ccccc1 T30355 [2,0,0,0,0,0|1,0,1]=4 55 B9R1.6 OC(=O)c1ccccc1 T0833 [2,0,0,0,0,0|0,0,0]=2 56 B9R1.6 OC(=O)c1ccccn1 T4850 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.6 OC(=O)c1cccnc1 T0879 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.6 OC(=O)c1ccncc1 Fr13756 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.6 OC(=O)c1cnccn1 T0569 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.6 OP(=O)c1ccccc1 T20416 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [2,0,0,0,0,0|0,0,1]=3 62 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [2,0,0,0,0,0|1,0,1]=4 63 B9R1.8 CCOc1ccccc1 T19753 [2,0,0,0,0,0|0,0,0]=2 64 B9R1.8 CNCc1ccccc1 T8016 [2,0,0,0,0,0|1,0,1]=4 65 B9R1.8 NCCc1ccccc1 T2935 [2,0,0,0,0,0|1,0,1]=4 66 B9R1.8 NCCc1ccccc1 T7433 [2,0,0,0,0,0|1,0,1]=4 67 B9R1.8 O/N=C/c1ccccc1 T20350 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.8 OCCc1ccccc1 T0011 [2,0,0,0,0,0|1,0,1]=4 69 B11R1.12 NC/C(=C/Cl)c1ccccc1 T33265 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [1,1,0,0,0,0|0,0,0]=2 72 B11R1.22 COC(=O)c1ccc(O)cn1 T40388 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.22 Clc1ccc(cc1)C(=O)CBr T8908 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.22 NNC(=O)c1ccc(N)cc1 T26389 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.22 Oc1ccc(cc1)C(=O)C=O T32102 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.22 Oc1ccc(cc1)C(=O)CBr T7084 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.23 COC(=O)c1cccc(O)c1 T33331 [1,1,0,0,0,0|0,0,0]=2 78 B11R1.23 COC(=O)c1cncc(C)c1 T0548 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.23 NNC(=O)c1cccc(O)c1 T21202 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [1,1,0,0,0,0|0,0,1]=3 81 B11R1.36 CC(O)C(=O)c1ccccc1 T29353 [1,1,0,0,0,0|0,0,0]=2 82 B11R1.36 C[C@H](O)[C@H](O)c1ccccc1 TN4002 [1,1,0,0,0,0|0,0,2]=4 83 B11R1.36 OC(=O)C(=O)c1ccccc1 T8025 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.222 CCC(=O)c1ccccc1O T20371 [1,1,0,0,0,0|0,0,0]=2 85 B11R1.222 COC(=O)c1ccccc1N TN1925 [1,1,0,0,0,0|0,0,0]=2 86 B11R1.222 COC(=O)c1ccccc1O T0399 [1,1,0,0,0,0|0,0,0]=2 87 B11R1.222 COC(=O)c1nccnc1N T22363 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.1 CCOCc1ccc(O)cc1 TN3029 [1,1,0,0,0,0|0,0,1]=3 89 B11R1.1 OCC=Cc1ccc(O)cc1 TN2028 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.28 OCCCCc1ccccc1 T20370 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.28 OCCOCc1ccccc1 T14013 [1,1,0,0,0,0|0,0,1]=3 92 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [1,1,0,0,0,0|1,0,1]=4 94 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,1,0,0,0,0|0,0,2]=4 95 B13R1.19 CCOC(=O)Cc1ccc(O)cc1 Fr12415 [0,1,0,0,0,1|0,0,0]=2 96 B13R1.20 CCOC(=O)Nc1cccc(O)c1 T21203 [0,1,0,0,0,1|0,0,0]=2 97 B13R1.47 CCOC(=O)C(=O)c1ccccc1 T20351 [0,1,0,0,0,1|0,0,0]=2 98 B13R1.47 CCOC(=O)C(O)c1ccccc1 T20321 [0,1,0,0,0,1|0,0,0]=2 99 B13R1.348 CC(C)OC(=O)Nc1ccccc1 T34151 [0,1,0,0,0,1|0,0,0]=2 100 B13R1.17 CCCCC(=O)c1ccc(O)cc1 T20372 [0,2,0,0,0,0|1,0,0]=3 101 B13R1.17 CCCOC(=O)c1ccc(N)cc1 T20260 [0,2,0,0,0,0|0,0,0]=2 102 B13R1.17 CCCOC(=O)c1ccc(O)cc1 T5557 [0,2,0,0,0,0|0,0,0]=2 103 B13R1.17 NCCNC(=O)c1ccc(Cl)cn1 T5470 [0,2,0,0,0,0|2,0,0]=4 104 B13R1.17 NCCNC(=O)c1ccc(Cl)cn1 T5678 [0,2,0,0,0,0|2,0,0]=4 105 B13R1.17 O=C(NCCN)C1=CC=C(Cl)C=C1 T28559 [0,2,0,0,0,0|1,0,0]=3 106 B13R1.17 OCCNC(=O)c1ccc(O)cc1 TN1456 [0,2,0,0,0,0|1,0,0]=3 107 B13R1.132 CC(C)OC(=O)c1ccc(O)cc1 T5686 [0,2,0,0,0,0|0,0,0]=2 108 B13R1.466 CCOC(=O)c1ccc(O)c(O)c1 T5684 [0,2,0,0,0,0|0,0,0]=2 109 B13R1.466 CNCC(=O)c1ccc(O)c(O)c1 T0948 [0,2,0,0,0,0|2,0,0]=4 110 B13R1.466 CNCC(=O)c1ccc(O)c(O)c1 T23571 [0,2,0,0,0,0|2,0,0]=4 111 B13R1.450 CCOC(=O)c1cc(O)cc(O)c1 TN6708 [0,2,0,0,0,0|0,0,0]=2 112 B13R1.24 CCCCOC(=O)c1ccccc1 T20001 [0,2,0,0,0,0|0,0,0]=2 113 B13R1.45 CC(C)NNC(=O)c1ccncc1 T0821 [0,2,0,0,0,0|2,0,0]=4 114 B13R1.45 CC(C)NNC(=O)c1ccncc1 T20085 [0,2,0,0,0,0|2,0,0]=4 115 B13R1.45 OC(=O)CNC(=O)c1ccccc1 T4815 [0,2,0,0,0,0|1,0,1]=4 116 B13R1.45 OC(=O)CNC(=O)c1ccccc1 T8365 [0,2,0,0,0,0|1,0,1]=4 117 B13R1.674 OCCOC(=O)c1ccccc1O T13709 [0,2,0,0,0,0|0,0,0]=2 118 B11R1.189 CCOc1cccc(C=O)c1 T21171 [0,0,1,1,0,0|2,0,0]=4 119 B11R2.1 O=C1CCc2ccccc12 T0564 [1,0,0,1,0,0|0,0,0]=2 120 B13R2.64 C(C1=NCCN1)c2ccccc2 T1680 [0,0,0,1,0,1|2,0,0]=4 121 B13R2.64 C(C1=NCCN1)c2ccccc2 T21447 [0,0,0,1,0,1|2,0,0]=4 122 B13R2.135 CCn1c2ccccc2[nH]c1=O T2604 [0,0,0,1,0,1|1,0,0]=3 123 B13R2.1 CCNc1nsc2ccccc12 T31721 [0,1,0,1,0,0|1,1,0]=4 124 B13R2.5179 Clc1ccc2C(=O)CCCc2c1 T21355 [0,1,0,1,0,0|1,0,0]=3 125 B13R2.342 Oc1cccc2C(=O)CCCc12 T5662 [0,1,0,1,0,0|1,0,0]=3 126 B13R2.4857 O=C1OC(C2=C1C=CC=C2O)=O T9290 [0,1,0,1,0,0|1,0,1]=4 127 B9R1.11 COC(=O)c1ccco1 T8022 [1,0,0,0,1,0|1,0,0]=3 128 B13R1.42 CCOC(C=Cc1ccccc1)=O TN1624 [0,0,0,0,0,2|0,0,0]=2 129 B13R1.42 ClCCC(=O)NCc1ccccc1 T1249 [0,0,0,0,0,2|2,0,0]=4