0 B14R2.7724 CC1=CC(=O)c2ccccc2C1=O TS45447 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.7724 Cc1cc(c2ccccc2c1C)C TS12869 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.7724 Cc1cc(c2ccccc2c1O)N TS20821 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.7724 Cc1cc(c2ccccc2c1O)O TS13489 [0,0,0,0,0,0|3,0,0]=3 4 B14R2.7724 Cn1c2ccccc2c(=O)oc1=O TS13984 [0,0,0,0,0,0|1,0,1]=2 5 B14R2.7724 Cn1c2ccccc2c(cc1=O)Cl TS51718 [0,0,0,0,0,0|1,0,0]=1 6 B14R2.7724 Cn1c2ccccc2c(cc1=O)O TS13667 [0,0,0,0,0,0|0,0,0]=0 7 B14R2.7724 c1ccc2c(c1)C(=CC(=O)C2=O)Cl TS17578 [0,0,0,0,0,0|3,0,0]=3 8 B14R2.7724 c1ccc2c(c1)C(=CC(=O)C2=O)N TS13315 [0,0,0,0,0,0|3,0,0]=3 9 B14R2.7724 c1ccc2c(c1)C(=O)C=C(C2=O)Cl TS17579 [0,0,0,0,0,0|3,0,1]=4 10 B14R2.7724 c1ccc2c(c1)C(=O)C=C(C2=O)O TS45731 [0,0,0,0,0,0|2,0,2]=4 11 B14R2.7724 c1ccc2c(c1)c(cc(c2O)Br)Br TS74738 [0,0,0,0,0,0|4,0,0]=4 12 B14R2.7724 c1ccc2c(c1)c(cc(c2O)Cl)Cl TS21436 [0,0,0,0,0,0|4,0,0]=4 13 B14R2.7724 c1ccc2c(c1)c(cc(c2O)Cl)O TS17965 [0,0,0,0,0,0|3,0,0]=3 14 B13R2.32 CC1c2ccccc2CCC1=O TS42189 [1,0,0,0,0,0|1,0,2]=4 15 B13R2.32 CN1c2ccccc2OCC1=O TS42566 [1,0,0,0,0,0|1,0,1]=3 16 B13R2.32 Cc1c(ccc2c1nccc2)Cl TS14110 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.32 Cc1c2ccccc2ccc1O TS10990 [1,0,0,0,0,0|1,0,1]=3 18 B13R2.32 Cc1c2ccccc2ncc1N TS65074 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.32 Cc1ccc2ccccc2c1Br TS49911 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.32 Cc1ccc2ccccc2c1C TS10742 [1,0,0,0,0,0|2,0,0]=3 21 B13R2.32 Cc1ccc2ccccc2c1N TS17754 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.32 Cc1ccc2ccccc2c1N TS41806 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.32 Cc1ccc2ccccc2c1O TS55445 [1,0,0,0,0,0|3,0,0]=4 24 B13R2.32 Cn1c2ccccc2ccc1=O TS46987 [1,0,0,0,0,0|0,0,0]=1 25 B13R2.32 c1ccc2c(c1)C=CC(=O)C2=O TS41864 [1,0,0,0,0,0|2,0,0]=3 26 B13R2.32 c1ccc2c(c1)ccc(c2Br)O TS39656 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.32 c1ccc2c(c1)ccc(c2I)O TS30742 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.32 c1ccc2c(c1)ccc(c2N)N TS41934 [1,0,0,0,0,0|3,0,0]=4 29 B13R2.32 c1ccc2c(c1)ccc(c2O)Br TS23598 [1,0,0,0,0,0|3,0,0]=4 30 B13R2.32 c1ccc2c(c1)ccc(c2O)F TS42429 [1,0,0,0,0,0|3,0,0]=4 31 B13R2.32 c1ccc2c(c1)ccc(c2O)N TS53566 [1,0,0,0,0,0|3,0,0]=4 32 B13R2.32 c1ccc2c(c1)ccc(c2O)O TS42142 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.328 Cc1cc(=O)oc2c1cccc2 TS42135 [1,0,0,0,0,0|2,0,0]=3 34 B13R2.328 Cc1cc(=S)[nH]c2c1cccc2 TS13737 [1,0,0,0,0,0|1,1,0]=3 35 B13R2.328 Cc1cc(c2ccccc2c1)C TS10737 [1,0,0,0,0,0|3,0,0]=4 36 B13R2.328 Cc1cc(c2ccccc2n1)Cl TS14102 [1,0,0,0,0,0|2,0,1]=4 37 B13R2.328 Cc1cc(c2ccccc2n1)N TS11011 [1,0,0,0,0,0|2,0,1]=4 38 B13R2.328 Cc1cc(c2ccccc2n1)O TS11130 [1,0,0,0,0,0|1,0,1]=3 39 B13R2.328 Cc1cc(c2ccccc2n1)S TS13738 [1,0,0,0,0,0|1,1,1]=4 40 B13R2.328 Cc1cc(nc2c1cccc2)C TS10883 [1,0,0,0,0,0|2,0,1]=4 41 B13R2.328 Cc1cc(nc2c1cccc2)Cl TS07941 [1,0,0,0,0,0|2,0,1]=4 42 B13R2.328 Cc1cc(nc2c1cccc2)N TS41933 [1,0,0,0,0,0|2,0,1]=4 43 B13R2.328 Cc1cc(nc2c1cccc2)O TS32798 [1,0,0,0,0,0|1,0,2]=4 44 B13R2.328 c1cc2c([nH]c(=O)[nH]c2=O)nc1 TS09082 [1,0,0,0,0,0|2,0,1]=4 45 B13R2.328 c1cc2c([nH]c(=O)[nH]c2=S)nc1 TS47712 [1,0,0,0,0,0|2,1,0]=4 46 B13R2.328 c1cc2cc(cc(c2nc1)O)Cl TS14475 [1,0,0,0,0,0|3,0,0]=4 47 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O TS11500 [1,0,0,0,0,0|2,0,1]=4 48 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)[nH]2 TS01370 [1,0,0,0,0,0|1,0,1]=3 49 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)o2 TS42538 [1,0,0,0,0,0|2,0,1]=4 50 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 TS42535 [1,0,0,0,0,0|1,0,1]=3 51 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)Br TS65122 [1,0,0,0,0,0|1,0,0]=2 52 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)N TS42153 [1,0,0,0,0,0|1,0,0]=2 53 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)Cl TS47995 [1,0,0,0,0,0|2,0,0]=3 54 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N TS42279 [1,0,0,0,0,0|2,0,0]=3 55 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O TS11497 [1,0,0,0,0,0|1,0,0]=2 56 B13R2.328 c1ccc2c(c1)c(cc(=O)s2)O TS47543 [1,0,0,0,0,0|1,0,0]=2 57 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Cl TS00621 [1,0,0,0,0,0|2,0,1]=4 58 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)F TS14838 [1,0,0,0,0,0|2,0,1]=4 59 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br TS23601 [1,0,0,0,0,0|2,0,1]=4 60 B13R2.328 c1ccc2c(c1)c(cc(n2)N)N TS42057 [1,0,0,0,0,0|2,0,1]=4 61 B13R2.328 c1ccc2c(c1)c(cc(n2)N)O TS47527 [1,0,0,0,0,0|1,0,1]=3 62 B13R2.328 c1ccc2c(c1)c(cc(n2)O)O TS15096 [1,0,0,0,0,0|0,0,2]=3 63 B13R2.328 c1ccc2c(c1)cc(cc2O)O TS08742 [1,0,0,0,0,0|1,0,1]=3 64 B13R2.371 Cc1ccc(c2c1cccc2)Br TS00482 [1,0,0,0,0,0|2,0,0]=3 65 B13R2.371 Cc1ccc(c2c1cccc2)C TS41662 [1,0,0,0,0,0|2,0,0]=3 66 B13R2.371 Cc1ccc(c2c1cccc2)O TS10992 [1,0,0,0,0,0|1,0,0]=2 67 B13R2.371 c1cc2c(ccc(c2nc1)O)Br TS50404 [1,0,0,0,0,0|3,0,0]=4 68 B13R2.371 c1cc2c(ccc(c2nc1)O)Cl TS47798 [1,0,0,0,0,0|3,0,0]=4 69 B13R2.371 c1cc2c(ccc(c2nc1)O)F TS11663 [1,0,0,0,0,0|3,0,0]=4 70 B13R2.371 c1cc2c(ccc(c2nc1)O)N TS25348 [1,0,0,0,0,0|3,0,0]=4 71 B13R2.371 c1cc2c(ccc(c2nc1)O)N TS42155 [1,0,0,0,0,0|3,0,0]=4 72 B13R2.371 c1ccc2c(c1)C(=O)C=CC2=O TS41863 [1,0,0,0,0,0|2,0,1]=4 73 B13R2.371 c1ccc2c(c1)c(ccc2Br)Br TS32862 [1,0,0,0,0,0|3,0,0]=4 74 B13R2.371 c1ccc2c(c1)c(ccc2Br)F TS52126 [1,0,0,0,0,0|3,0,0]=4 75 B13R2.371 c1ccc2c(c1)c(ccc2Br)N TS50054 [1,0,0,0,0,0|3,0,0]=4 76 B13R2.371 c1ccc2c(c1)c(ccc2Br)O TS70945 [1,0,0,0,0,0|2,0,0]=3 77 B13R2.371 c1ccc2c(c1)c(ccc2Cl)Cl TS53801 [1,0,0,0,0,0|3,0,0]=4 78 B13R2.371 c1ccc2c(c1)c(ccc2Cl)N TS14114 [1,0,0,0,0,0|3,0,0]=4 79 B13R2.371 c1ccc2c(c1)c(ccc2Cl)N TS71519 [1,0,0,0,0,0|3,0,0]=4 80 B13R2.371 c1ccc2c(c1)c(ccc2Cl)O TS47628 [1,0,0,0,0,0|2,0,0]=3 81 B13R2.371 c1ccc2c(c1)c(ccc2I)N TS30627 [1,0,0,0,0,0|3,0,0]=4 82 B13R2.371 c1ccc2c(c1)c(ccc2N)N TS94602 [1,0,0,0,0,0|3,0,0]=4 83 B13R2.371 c1ccc2c(c1)c(ccc2O)O TS42139 [1,0,0,0,0,0|2,0,0]=3 84 B13R2.371 c1ccc2c(c1)c(cnc2Cl)O TS47799 [1,0,0,0,0,0|3,0,0]=4 85 B15R2.9032 Cc1c(c(c2ccccc2c1C)C)C TS15343 [0,1,0,0,0,0|3,0,0]=4 86 B15R2.9032 c1ccc2c(c1)c(=O)c(=O)c(=O)c2=O TS15911 [0,1,0,0,0,0|2,0,1]=4 87 B15R2.13626 Cn1c2cccc(c2c(=O)oc1=O)Cl TS21202 [0,1,0,0,0,0|1,0,1]=3 88 B15R2.13861 CN1c2ccccc2C(=O)CS1(=O)=O TS21129 [0,1,0,0,0,0|1,0,2]=4 89 B13R1.11 COC(=O)CC(=O)c1ccccc1 TS39901 [0,0,1,0,0,0|1,0,2]=4 90 B13R1.11 COC(=O)C[C@@H](c1ccccc1)O TS47893 [0,0,1,0,0,0|1,0,2]=4 91 B13R1.11 COC(=O)C[C@H](c1ccccc1)O TS14616 [0,0,1,0,0,0|1,0,2]=4 92 B13R1.47 CCOC(=O)N(C)c1ccccc1 TS14437 [0,0,1,0,0,0|2,0,1]=4 93 B13R1.47 CNCC(=O)N(C)c1ccccc1 TS21795 [0,0,1,0,0,0|2,0,1]=4 94 B13R2.3085 CN1c2ccccc2C(=O)C1=O TS11380 [0,0,0,0,1,0|0,0,1]=2 95 B13R2.3085 c1ccc2c(c1)C(=O)C(=O)N2Cl TS14832 [0,0,0,0,1,0|1,0,1]=3 96 B12R1.27 COC(=O)C=Cc1ccccc1 TS42433 [1,0,1,0,0,0|1,0,0]=3 97 B12R1.27 COC(=O)C=Cc1ccncc1 TS11686 [1,0,1,0,0,0|2,0,0]=4 98 B12R1.30 CN(C=CC=O)c1ccccc1 TS11403 [1,0,1,0,0,0|0,0,1]=3 99 B12R1.107 CC(=CC(=O)O)c1ccccc1 TS42432 [1,0,1,0,0,0|2,0,0]=4 100 B12R1.107 CC(=O)CC(=O)c1ccccc1 TS42435 [1,0,1,0,0,0|0,0,2]=4 101 B12R1.107 c1ccc(cc1)C(=O)NC(=O)N TS11834 [1,0,1,0,0,0|1,0,1]=4 102 B12R1.32 c1ccc(cc1)NC(=O)C=NO TS11840 [1,0,1,0,0,0|1,0,0]=3 103 B12R1.34 CN(c1ccccc1)C(=O)CCl TS48486 [1,0,1,0,0,0|1,0,1]=4 104 B12R1.34 CN(c1ccccc1)C(=O)CN TS42762 [1,0,1,0,0,0|1,0,1]=4 105 B12R1.77 COc1ccccc1C(=O)C=O TS14923 [1,0,1,0,0,0|1,0,1]=4 106 B12R1.124 CC(c1ccccc1O)C(=O)O TS12173 [1,0,1,0,0,0|2,0,0]=4 107 B12R1.121 COc1ccccc1C=CC=O TS42444 [1,0,1,0,0,0|1,0,0]=3 108 B12R1.261 CC(=O)c1ccccc1C(=O)O TS09261 [1,0,1,0,0,0|2,0,0]=4 109 B12R1.261 CN(C)c1ccccc1C(=O)O TS12017 [1,0,1,0,0,0|1,0,1]=4 110 B12R2.24 Cc1ccc2ccccc2c1 TS06723 [2,0,0,0,0,0|2,0,0]=4 111 B12R2.24 Cc1ccc2ccccc2n1 TS00107 [2,0,0,0,0,0|1,0,1]=4 112 B12R2.24 Cc1ccc2ccccc2n1 TS26649 [2,0,0,0,0,0|1,0,1]=4 113 B12R2.24 Cc1ccc2ccccc2n1 TS26685 [2,0,0,0,0,0|1,0,1]=4 114 B12R2.24 c1cc(=O)[nH]c2c1cncc2 TS01996 [2,0,0,0,0,0|1,0,0]=3 115 B12R2.24 c1cc-2ccc(=O)nc2[nH]c1 TS07188 [2,0,0,0,0,0|1,0,1]=4 116 B12R2.24 c1ccc2c(c1)CC=C(N2)Cl TS12107 [2,0,0,0,0,0|1,0,1]=4 117 B12R2.24 c1ccc2c(c1)CCC(=O)N2 TS02541 [2,0,0,0,0,0|0,0,2]=4 118 B12R2.24 c1ccc2c(c1)NC(=O)CO2 TS46410 [2,0,0,0,0,0|1,0,1]=4 119 B12R2.24 c1ccc2c(c1)NC(=O)CS2 TS42929 [2,0,0,0,0,0|1,0,1]=4 120 B12R2.24 c1ccc2c(c1)NCC(=O)N2 TS32785 [2,0,0,0,0,0|1,0,1]=4 121 B12R2.24 c1ccc2c(c1)ccc(=O)o2 TS07170 [2,0,0,0,0,0|1,0,0]=3 122 B12R2.24 c1ccc2c(c1)ccc(n2)Br TS00867 [2,0,0,0,0,0|1,0,1]=4 123 B12R2.24 c1ccc2c(c1)ccc(n2)Cl TS00965 [2,0,0,0,0,0|1,0,1]=4 124 B12R2.24 c1ccc2c(c1)ccc(n2)I TS28720 [2,0,0,0,0,0|1,0,1]=4 125 B12R2.24 c1ccc2c(c1)ccc(n2)N TS55047 [2,0,0,0,0,0|1,0,1]=4 126 B12R2.24 c1ccc2c(c1)ccc(n2)O TS07083 [2,0,0,0,0,0|0,0,2]=4 127 B12R2.24 c1ccc2c(c1)ccc(n2)O TS94826 [2,0,0,0,0,0|0,0,2]=4 128 B12R2.24 c1ccc2c(c1)ccc(n2)S TS11438 [2,0,0,0,0,0|0,1,1]=4 129 B12R2.24 c1ccc2cc(ccc2c1)Br TS00852 [2,0,0,0,0,0|2,0,0]=4 130 B12R2.24 c1ccc2cc(ccc2c1)Cl TS11632 [2,0,0,0,0,0|2,0,0]=4 131 B12R2.24 c1ccc2cc(ccc2c1)F TS40407 [2,0,0,0,0,0|2,0,0]=4 132 B12R2.24 c1ccc2cc(ccc2c1)I TS63321 [2,0,0,0,0,0|2,0,0]=4 133 B12R2.24 c1ccc2cc(ccc2c1)N TS00813 [2,0,0,0,0,0|2,0,0]=4 134 B12R2.24 c1ccc2cc(ccc2c1)O TS39906 [2,0,0,0,0,0|1,0,1]=4 135 B12R2.24 c1ccc2cc(ccc2c1)S TS11296 [2,0,0,0,0,0|1,1,0]=4 136 B12R2.24 c1ccc2cn(=O)ccc2c1 TS56198 [2,0,0,0,0,0|2,0,0]=4 137 B12R2.1081 C[n+]1cccc2c1cccc2 TS28781 [2,0,0,0,0,0|0,0,1]=3 138 B12R2.1081 Cc1c2ccccc2ccn1 TS00053 [2,0,0,0,0,0|2,0,0]=4 139 B12R2.1081 Cc1cccc2c1cccc2 TS00494 [2,0,0,0,0,0|1,0,0]=3 140 B12R2.1081 Cc1cccc2c1cncc2 TS06873 [2,0,0,0,0,0|2,0,0]=4 141 B12R2.1081 Cc1cccc2c1nccc2 TS55712 [2,0,0,0,0,0|2,0,0]=4 142 B12R2.1081 Cc1ccnc2c1cccc2 TS01522 [2,0,0,0,0,0|1,0,1]=4 143 B12R2.1081 Cc1ccnc2c1cccc2 TS64278 [2,0,0,0,0,0|1,0,1]=4 144 B12R2.1081 Cc1cncc2c1cccc2 TS06874 [2,0,0,0,0,0|2,0,0]=4 145 B12R2.1081 c1c[nH]c2cnccc2c1=O TS87091 [2,0,0,0,0,0|1,0,1]=4 146 B12R2.1081 c1cc2c(cccn2)c(c1)O TS07092 [2,0,0,0,0,0|2,0,0]=4 147 B12R2.1081 c1cc2cccnc2c(c1)O TS27898 [2,0,0,0,0,0|2,0,0]=4 148 B12R2.1081 c1cc2cccnc2c(c1)O TS59629 [2,0,0,0,0,0|2,0,0]=4 149 B12R2.1081 c1cc2cccnc2c(c1)O TS81282 [2,0,0,0,0,0|2,0,0]=4 150 B12R2.1081 c1cc2cccnc2c(c1)O TS82566 [2,0,0,0,0,0|2,0,0]=4 151 B12R2.1081 c1cc2ccncc2c(c1)O TS07090 [2,0,0,0,0,0|2,0,0]=4 152 B12R2.1081 c1cc2cnccc2c(c1)O TS07091 [2,0,0,0,0,0|2,0,0]=4 153 B12R2.1081 c1ccc2c(c1)COC=C2O TS07416 [2,0,0,0,0,0|2,0,0]=4 154 B12R2.1081 c1ccc2c(c1)c(=O)cco2 TS07175 [2,0,0,0,0,0|1,0,1]=4 155 B12R2.1081 c1ccc2c(c1)c(ccn2)Br TS09615 [2,0,0,0,0,0|1,0,1]=4 156 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl TS71079 [2,0,0,0,0,0|1,0,1]=4 157 B12R2.1081 c1ccc2c(c1)c(ccn2)I TS39753 [2,0,0,0,0,0|1,0,1]=4 158 B12R2.1081 c1ccc2c(c1)c(ccn2)N TS70924 [2,0,0,0,0,0|1,0,1]=4 159 B12R2.1081 c1ccc2c(c1)c(ccn2)O TS93944 [2,0,0,0,0,0|0,0,1]=3 160 B12R2.1081 c1ccc2c(c1)c(ccn2)S TS71197 [2,0,0,0,0,0|0,1,1]=4 161 B12R2.1081 c1ccc2c(c1)cccc2Br TS20310 [2,0,0,0,0,0|2,0,0]=4 162 B12R2.1081 c1ccc2c(c1)cccc2Cl TS11631 [2,0,0,0,0,0|2,0,0]=4 163 B12R2.1081 c1ccc2c(c1)cccc2F TS60210 [2,0,0,0,0,0|2,0,0]=4 164 B12R2.1081 c1ccc2c(c1)cccc2I TS63322 [2,0,0,0,0,0|2,0,0]=4 165 B12R2.1081 c1ccc2c(c1)cccc2N TS39905 [2,0,0,0,0,0|2,0,0]=4 166 B12R2.1081 c1ccc2c(c1)cccc2N TS47802 [2,0,0,0,0,0|2,0,0]=4 167 B12R2.1081 c1ccc2c(c1)cccc2O TS47010 [2,0,0,0,0,0|1,0,0]=3 168 B12R2.1081 c1ccc2c(c1)cccc2S TS11301 [2,0,0,0,0,0|1,1,0]=4 169 B12R2.1081 c1ccc2c(c1)cncc2O TS03125 [2,0,0,0,0,0|2,0,0]=4 170 B12R2.1081 c1cncc2c1nccc2O TS07192 [2,0,0,0,0,0|1,0,1]=4 171 B14R2.92 c1ccc2c(c1)ccc(c2Br)C=O TS56610 [1,1,0,0,0,0|2,0,0]=4 172 B14R2.92 c1ccc2c(c1)ccc(c2Cl)C=O TS17196 [1,1,0,0,0,0|2,0,0]=4 173 B14R2.92 c1ccc2c(c1)ccc(c2O)C=O TS13140 [1,1,0,0,0,0|2,0,0]=4 174 B14R2.92 c1ccc2c(c1)ccc(c2O)N=O TS13311 [1,1,0,0,0,0|2,0,0]=4 175 B14R2.203 CC[n+]1c(ccc2c1cccc2)C TS58881 [1,1,0,0,0,0|1,0,1]=4 176 B14R2.203 Cc1ccc2ccccc2c1CCl TS51212 [1,1,0,0,0,0|2,0,0]=4 177 B14R2.4513 CN1c2cc(ccc2OCC1=O)N TS14190 [1,1,0,0,0,0|1,0,1]=4 178 B14R2.8038 Cc1cccc2c1ccc(c2C)C TS45180 [1,1,0,0,0,0|2,0,0]=4 179 B14R2.8188 Cc1cc2ccccc2c(c1C)C TS12868 [1,1,0,0,0,0|2,0,0]=4 180 B14R2.29369 CN1c2ccc(cc2CCC1=O)Br TS86454 [1,1,0,0,0,0|0,0,2]=4 181 B14R2.29369 Cc1ccc2c(c(ccc2c1)C)C TS12878 [1,1,0,0,0,0|2,0,0]=4 182 B14R2.1146 COc1cc(=O)[nH]c2c1cccc2 TS13674 [1,1,0,0,0,0|0,0,0]=2 183 B14R2.1146 COc1cc(=O)oc2c1cccc2 TS46061 [1,1,0,0,0,0|1,0,0]=3 184 B14R2.1146 COc1cc(cc2c1cccc2)N TS64490 [1,1,0,0,0,0|2,0,0]=4 185 B14R2.1146 COc1cc(cc2c1cccc2)N TS71204 [1,1,0,0,0,0|2,0,0]=4 186 B14R2.1146 COc1cc(cc2c1cccc2)N TS84369 [1,1,0,0,0,0|2,0,0]=4 187 B14R2.1146 Cc1cc(c2ccccc2n1)CO TS13356 [1,1,0,0,0,0|1,0,1]=4 188 B14R2.1146 c1ccc2c(c1)c(cc(=O)[nH]2)CBr TS09611 [1,1,0,0,0,0|1,0,0]=3 189 B14R2.8045 Cc1cc(c2cccc(c2n1)Br)O TS26131 [1,1,0,0,0,0|1,0,1]=4 190 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)O TS51713 [1,1,0,0,0,0|1,0,1]=4 191 B14R2.8045 Cc1cc(c2cccc(c2n1)F)O TS14006 [1,1,0,0,0,0|1,0,1]=4 192 B14R2.8045 Cc1cccc2c1[nH]c(=O)oc2=O TS46243 [1,1,0,0,0,0|1,0,1]=4 193 B14R2.8045 Cc1cccc2c1nc(cc2O)C TS45628 [1,1,0,0,0,0|1,0,1]=4 194 B14R2.8045 c1cc2c(c(c1)Br)[nH]c(=O)oc2=O TS26772 [1,1,0,0,0,0|1,0,1]=4 195 B14R2.8045 c1cc2c(c(c1)F)[nH]c(=O)oc2=O TS48037 [1,1,0,0,0,0|1,0,1]=4 196 B14R2.8235 Cc1cc(=O)oc2c1cc(cc2)N TS45936 [1,1,0,0,0,0|2,0,0]=4 197 B14R2.8235 Cc1cc(=O)oc2c1cc(cc2)O TS46055 [1,1,0,0,0,0|2,0,0]=4 198 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)O TS26140 [1,1,0,0,0,0|1,0,1]=4 199 B14R2.8235 Cc1cc(c2cc(ccc2n1)Cl)O TS51706 [1,1,0,0,0,0|1,0,1]=4 200 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)O TS14005 [1,1,0,0,0,0|1,0,1]=4 201 B14R2.8235 Cc1ccc2c(c1)c(=O)oc(=O)[nH]2 TS46244 [1,1,0,0,0,0|1,0,1]=4 202 B14R2.8235 Cc1ccc2c(c1)c(cc(=O)o2)O TS39751 [1,1,0,0,0,0|1,0,0]=3 203 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)O TS47321 [1,1,0,0,0,0|1,0,1]=4 204 B14R2.8235 c1cc2c(cc1Br)c(=O)[nH]c(=O)[nH]2 TS55540 [1,1,0,0,0,0|1,0,1]=4 205 B14R2.8235 c1cc2c(cc1Br)c(cc(=O)o2)O TS57491 [1,1,0,0,0,0|1,0,0]=3 206 B14R2.8235 c1cc2c(cc1Cl)c(=O)oc(=O)[nH]2 TS71516 [1,1,0,0,0,0|1,0,1]=4 207 B14R2.8235 c1cc2c(cc1Cl)c(cc(=O)o2)N TS52086 [1,1,0,0,0,0|2,0,0]=4 208 B14R2.8235 c1cc2c(cc1Cl)c(cc(=O)o2)O TS18359 [1,1,0,0,0,0|1,0,0]=3 209 B14R2.8235 c1cc2c(cc1F)c(=O)oc(=O)[nH]2 TS65171 [1,1,0,0,0,0|1,0,1]=4 210 B14R2.8235 c1cc2c(cc1N)c(=O)oc(=O)[nH]2 TS47486 [1,1,0,0,0,0|1,0,1]=4 211 B14R2.8235 c1cc2c(cc1O)c(=O)oc(=O)[nH]2 TS14354 [1,1,0,0,0,0|1,0,1]=4 212 B14R2.29365 Cc1cc(=O)[nH]c2c1ccc(c2)N TS16306 [1,1,0,0,0,0|1,0,0]=3 213 B14R2.29365 Cc1cc(=O)c2ccc(cc2[nH]1)Cl TS51717 [1,1,0,0,0,0|1,0,1]=4 214 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)N TS33490 [1,1,0,0,0,0|2,0,0]=4 215 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)N TS64846 [1,1,0,0,0,0|2,0,0]=4 216 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)O TS46066 [1,1,0,0,0,0|2,0,0]=4 217 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)S TS17489 [1,1,0,0,0,0|2,0,0]=4 218 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)[O-] TS18575 [1,1,0,0,0,0|2,0,0]=4 219 B14R2.29365 Cc1cc(c2ccc(cc2n1)Br)O TS26132 [1,1,0,0,0,0|1,0,1]=4 220 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)O TS14004 [1,1,0,0,0,0|1,0,1]=4 221 B14R2.29365 Cc1ccc2c(c1)[nH]c(=O)oc2=O TS13991 [1,1,0,0,0,0|1,0,1]=4 222 B14R2.29365 Cc1ccc2c(cc(=O)oc2c1)C TS13500 [1,1,0,0,0,0|2,0,0]=4 223 B14R2.29365 c1cc2c(cc(=O)oc2cc1O)O TS47476 [1,1,0,0,0,0|1,0,0]=3 224 B14R2.29365 c1cc2c(cc1Br)[nH]c(=O)oc2=O TS09607 [1,1,0,0,0,0|1,0,1]=4 225 B14R2.29365 c1cc2c(cc1Cl)[nH]c(=O)[nH]c2=O TS16510 [1,1,0,0,0,0|1,0,1]=4 226 B14R2.29365 c1cc2c(cc1Cl)[nH]c(=O)oc2=O TS71072 [1,1,0,0,0,0|1,0,1]=4 227 B14R2.29365 c1cc2c(cc1F)[nH]c(=O)oc2=O TS03094 [1,1,0,0,0,0|1,0,1]=4 228 B14R2.29365 c1cc2c(cc1N)[nH]c(=O)oc2=O TS47485 [1,1,0,0,0,0|1,0,1]=4 229 B14R2.1131 COc1ccc(c2c1cccc2)Br TS00414 [1,1,0,0,0,0|2,0,0]=4 230 B14R2.1131 COc1ccc(c2c1cccc2)I TS34699 [1,1,0,0,0,0|2,0,0]=4 231 B14R2.1131 COc1ccc(c2c1cccc2)O TS13490 [1,1,0,0,0,0|1,0,0]=3 232 B14R2.1131 CSc1ccc(c2c1cccc2)F TS17528 [1,1,0,0,0,0|2,0,0]=4 233 B14R2.1131 Cc1ccc(c2c1cccc2)C=O TS12811 [1,1,0,0,0,0|1,0,1]=4 234 B14R2.1131 Cc1ccc(c2c1cccc2)CO TS45495 [1,1,0,0,0,0|1,0,0]=3 235 B14R2.1131 c1cc2c(ccc(c2nc1)O)CCl TS52943 [1,1,0,0,0,0|2,0,0]=4 236 B14R2.1131 c1ccc2c(c1)c(ccc2Br)CO TS56905 [1,1,0,0,0,0|2,0,0]=4 237 B14R2.1131 c1ccc2c(c1)c(ccn2=O)NO TS13826 [1,1,0,0,0,0|1,0,1]=4 238 B14R2.8051 Cc1cccc2c1c(ccc2C)C TS12870 [1,1,0,0,0,0|2,0,0]=4 239 B14R2.8751 Cc1ccc2c(ccc(c2c1)C)C TS45188 [1,1,0,0,0,0|2,0,0]=4 240 B14R2.8716 Cn1c2ccc(cc2n(c1=O)C)N TS14038 [0,1,0,0,1,0|2,0,0]=4 241 B14R2.19306 CCC1c2ccccc2N(C1=O)C TS45981 [0,1,0,0,1,0|1,0,1]=4 242 B14R2.19306 Cc1c(c2ccccc2n1C)C#N TS45147 [0,1,0,0,1,0|2,0,0]=4 243 B14R2.19306 Cc1c(c2ccccc2n1C)C=O TS45631 [0,1,0,0,1,0|1,0,1]=4 244 B14R2.19306 Cn1c2ccccc2c(c1Cl)C=O TS51719 [0,1,0,0,1,0|1,0,1]=4 245 B16R2.37410 COC1=CC(=O)C(=NO)c2c1cccc2 TS38407 [0,2,0,0,0,0|2,0,0]=4 246 B16R2.44545 C=CCn1c2ccccc2c(=O)oc1=O TS38419 [0,2,0,0,0,0|1,0,1]=4 247 B16R2.36855 Cn1c2c(cccc2OC)c(=O)oc1=O TS20338 [0,2,0,0,0,0|1,0,1]=4 248 B16R2.23331 c1ccc2c(c1)c(cc(c2O)C(=O)O)O TS38563 [0,2,0,0,0,0|2,0,0]=4 249 B14R2.260 Cn1c(cc(n1)c2ccccc2)N TS13372 [0,0,1,1,0,0|2,0,0]=4 250 B14R2.260 Cn1c(cc(n1)c2ccccc2)O TS13510 [0,0,1,1,0,0|1,0,1]=4 251 B14R2.11635 COc1cccc2c1c(ccn2)O TS03123 [0,0,1,1,0,0|2,0,0]=4 252 B12R2.18 CC1c2ccccc2NC1=O TS85089 [1,0,0,0,1,0|2,0,0]=4 253 B12R2.18 CN1c2ccccc2CC1=O TS40524 [1,0,0,0,1,0|0,0,1]=3 254 B12R2.18 Cc1cc2ccccc2n1C TS00349 [1,0,0,0,1,0|1,0,0]=3 255 B12R2.18 Cn1c2ccccc2cc1O TS07340 [1,0,0,0,1,0|0,0,1]=3 256 B12R2.18 Cn1c2ccccc2nc1Cl TS12322 [1,0,0,0,1,0|2,0,0]=4 257 B12R2.18 Cn1c2ccccc2nc1N TS40545 [1,0,0,0,1,0|2,0,0]=4 258 B12R2.18 Cn1c2ccccc2oc1=O TS40731 [1,0,0,0,1,0|1,0,0]=3 259 B12R2.18 Cn1c2ccccc2oc1=S TS42927 [1,0,0,0,1,0|1,1,0]=4 260 B12R2.18 Cn1c2ccccc2sc1=O TS42917 [1,0,0,0,1,0|1,0,0]=3 261 B12R2.18 Cn1c2ccccc2sc1=S TS48129 [1,0,0,0,1,0|1,1,0]=4 262 B12R2.2028 c1ccc2c(c1)C(=N)NC2=O TS07194 [1,0,0,0,1,0|2,0,0]=4 263 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O TS07172 [1,0,0,0,1,0|0,0,2]=4 264 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O TS44977 [1,0,0,0,1,0|1,0,1]=4 265 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O TS74530 [1,0,0,0,1,0|1,0,1]=4 266 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O TS74508 [1,0,0,0,1,0|1,0,1]=4 267 B14R2.287 c1ccc2c(c1)C(=O)CCC(=O)N2 TS90670 [1,0,0,0,0,1|0,0,2]=4 268 B14R2.287 c1ccc2c(c1)C(=O)NCC(=O)N2 TS32784 [1,0,0,0,0,1|0,0,2]=4 269 B14R2.738 c1ccc2c(c1)NC(=O)CC(=O)N2 TS46076 [1,0,0,0,0,1|0,0,2]=4