0 B14R2.7724 CC1=CC(=O)c2ccccc2C1=O A13593 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.7724 Cn1c2ccccc2c(=O)oc1=O B24099 [0,0,0,0,0,0|1,0,1]=2 2 B14R2.7724 c1ccc2c(c1)C(=O)C=C(C2=O)O A11880 [0,0,0,0,0,0|2,0,2]=4 3 B13R2.32 CN1c2ccccc2OCC1=O H27196 [1,0,0,0,0,0|1,0,1]=3 4 B13R2.32 Cc1ccc2ccccc2c1Br L05093 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.32 Cc1ccc2ccccc2c1C L09774 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.32 Cc1ccc2ccccc2c1[Mg+] H54388 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.32 Cn1c2ccccc2ccc1=O L09410 [1,0,0,0,0,0|0,0,0]=1 8 B13R2.32 c1ccc2c(c1)C=CC(=S)C2O A12125 [1,0,0,0,0,0|2,1,0]=4 9 B13R2.32 c1ccc2c(c1)ccc(c2Br)O A18692 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.32 c1ccc2c(c1)ccc(c2N)O B24492 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.32 c1ccc2c(c1)ccc(c2O)Br H66429 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.328 Cc1cc(c2ccccc2n1)Cl A15002 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.328 Cc1cc(c2ccccc2n1)N L14295 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.328 Cc1cc(c2ccccc2n1)O A14587 [1,0,0,0,0,0|1,0,1]=3 15 B13R2.328 Cc1cc(nc2c1cccc2)C L08348 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.328 Cc1cc(nc2c1cccc2)Cl H26504 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.328 Cc1cc(nc2c1cccc2)O L07417 [1,0,0,0,0,0|1,0,2]=4 18 B13R2.328 Cc1cc(nc2c1cccc2)S H34098 [1,0,0,0,0,0|1,1,1]=4 19 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O A15538 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 A14603 [1,0,0,0,0,0|1,0,1]=3 21 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O A14394 [1,0,0,0,0,0|1,0,0]=2 22 B13R2.328 c1ccc2c(c1)c(cc(n2)N)O L12760 [1,0,0,0,0,0|1,0,1]=3 23 B13R2.328 c1ccc2c(c1)c(cc(n2)O)O B20747 [1,0,0,0,0,0|0,0,2]=3 24 B13R2.328 c1ccc2c(c1)c(cc(n2)O)[O-] L12348 [1,0,0,0,0,0|0,0,3]=4 25 B13R2.328 c1ccc2c(c1)cc(cc2O)O A17739 [1,0,0,0,0,0|1,0,1]=3 26 B13R2.371 Cc1ccc(c2c1cccc2)Br H55039 [1,0,0,0,0,0|2,0,0]=3 27 B13R2.371 Cc1ccc(c2c1cccc2)[Mg+] H54756 [1,0,0,0,0,0|2,0,0]=3 28 B13R2.371 c1cc2c(ccc(c2nc1)O)Cl B22856 [1,0,0,0,0,0|3,0,0]=4 29 B13R2.371 c1ccc2c(c1)C(=O)C=CC2=O A10958 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.371 c1ccc2c(c1)c(ccc2Br)Br A18171 [1,0,0,0,0,0|3,0,0]=4 31 B13R2.371 c1ccc2c(c1)c(ccc2Br)F A16934 [1,0,0,0,0,0|3,0,0]=4 32 B13R2.371 c1ccc2c(c1)c(ccc2I)Br H64825 [1,0,0,0,0,0|3,0,0]=4 33 B13R2.371 c1ccc2c(c1)c(ccc2O)N B23978 [1,0,0,0,0,0|2,0,0]=3 34 B13R2.3085 CN1c2ccccc2C(=O)C1=O A12942 [0,0,0,0,1,0|0,0,1]=2 35 B13R2.3085 c1ccc2c(c1)c(=O)c(=O)c2=O 43846 [0,0,0,0,1,0|2,0,1]=4 36 B13R2.3085 c1ccc2c(c1)c(=O)c(=O)c2=O A10409 [0,0,0,0,1,0|2,0,1]=4 37 B12R1.27 COC(=O)\C=C\c1ccccc1 A15975 [1,0,1,0,0,0|1,0,0]=3 38 B12R1.107 CC(=O)CC(=O)c1ccccc1 A14537 [1,0,1,0,0,0|0,0,2]=4 39 B12R1.107 C\C(=C/C(=O)c1ccccc1)\[O-] A16051 [1,0,1,0,0,0|0,0,2]=4 40 B12R1.107 c1ccc(cc1)C(=O)NC(=O)N L11313 [1,0,1,0,0,0|1,0,1]=4 41 B12R1.124 CC(=O)N(C)c1ccccc1Cl B25282 [1,0,1,0,0,0|1,0,1]=4 42 B12R1.261 CC(=O)c1ccccc1C(=O)O A10216 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.261 CN(C)c1ccccc1C(=O)O A12967 [1,0,1,0,0,0|1,0,1]=4 44 B12R1.261 CS(=O)c1ccccc1C(=O)O H27144 [1,0,1,0,0,0|2,0,0]=4 45 B12R2.24 Cc1ccc2ccccc2c1 L02459 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.24 Cc1ccc2ccccc2n1 A13412 [2,0,0,0,0,0|1,0,1]=4 47 B12R2.24 c1cc(=O)[nH]c2c1cncc2 H50121 [2,0,0,0,0,0|1,0,0]=3 48 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [2,0,0,0,0,0|0,0,2]=4 49 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [2,0,0,0,0,0|1,0,1]=4 50 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [2,0,0,0,0,0|1,0,1]=4 51 B12R2.24 c1ccc2c(c1)NC(=O)CS2 A11091 [2,0,0,0,0,0|1,0,1]=4 52 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [2,0,0,0,0,0|1,0,0]=3 53 B12R2.24 c1ccc2c(c1)ccc(n2)Br H27302 [2,0,0,0,0,0|1,0,1]=4 54 B12R2.24 c1ccc2c(c1)ccc(n2)Cl B23443 [2,0,0,0,0,0|1,0,1]=4 55 B12R2.24 c1ccc2c(c1)ccc(n2)O B23064 [2,0,0,0,0,0|0,0,2]=4 56 B12R2.24 c1ccc2c(c1)ccc(n2)S H55749 [2,0,0,0,0,0|0,1,1]=4 57 B12R2.24 c1ccc2cc(ccc2c1)Br A15300 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.24 c1ccc2cc(ccc2c1)O A14564 [2,0,0,0,0,0|1,0,1]=4 59 B12R2.24 c1ccc2cc(ccc2c1)[Mg+] H51160 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.1081 Cc1c2ccccc2ccn1 H27029 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.1081 Cc1cccc2c1cccc2 A15327 [2,0,0,0,0,0|1,0,0]=3 62 B12R2.1081 Cc1cccc2c1nccc2 L03288 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.1081 Cc1ccnc2c1cccc2 A14040 [2,0,0,0,0,0|1,0,1]=4 64 B12R2.1081 c1cc2c(cccn2)c(c1)O H51096 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.1081 c1cc2cccnc2c(c1)O 41272 [2,0,0,0,0,0|2,0,0]=4 66 B12R2.1081 c1cc2cccnc2c(c1)O A14720 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.1081 c1cc2cccnc2c(c1)O L02743 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.1081 c1cc2cnccc2c(c1)O B25052 [2,0,0,0,0,0|2,0,0]=4 69 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl H56721 [2,0,0,0,0,0|1,0,1]=4 70 B12R2.1081 c1ccc2c(c1)c(ccn2)O A15859 [2,0,0,0,0,0|0,0,1]=3 71 B12R2.1081 c1ccc2c(c1)c(ncn2)O A17129 [2,0,0,0,0,0|1,0,1]=4 72 B12R2.1081 c1ccc2c(c1)ccc[n+]2[O-] B25209 [2,0,0,0,0,0|1,0,1]=4 73 B12R2.1081 c1ccc2c(c1)cccc2Br A14122 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.1081 c1ccc2c(c1)cccc2Cl A15029 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.1081 c1ccc2c(c1)cccc2F A18378 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.1081 c1ccc2c(c1)cccc2I B22644 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.1081 c1ccc2c(c1)cccc2N 44088 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.1081 c1ccc2c(c1)cccc2N H60409 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.1081 c1ccc2c(c1)cccc2O A11862 [2,0,0,0,0,0|1,0,0]=3 80 B12R2.1081 c1ccc2c(c1)cccc2S B24876 [2,0,0,0,0,0|1,1,0]=4 81 B12R2.1081 c1ccc2c(c1)cccc2[Mg+] H51159 [2,0,0,0,0,0|2,0,0]=4 82 B12R2.1081 c1ccc2c(c1)ccnc2O H29124 [2,0,0,0,0,0|2,0,0]=4 83 B14R2.92 c1ccc2c(c1)ccc(c2O)N=O A11980 [1,1,0,0,0,0|2,0,0]=4 84 B14R2.203 CC[n+]1c(ccc2c1cccc2)C A10584 [1,1,0,0,0,0|1,0,1]=4 85 B14R2.4513 CN1c2cc(ccc2CCC1=O)Br H33197 [1,1,0,0,0,0|0,0,2]=4 86 B14R2.1146 COc1cc(=O)oc2c1cccc2 A13670 [1,1,0,0,0,0|1,0,0]=3 87 B14R2.1146 c1ccc2c(c1)c(cc(=O)[nH]2)CBr B25305 [1,1,0,0,0,0|1,0,0]=3 88 B14R2.8235 Cc1cc(=O)oc2c1cc(cc2)O L07192 [1,1,0,0,0,0|2,0,0]=4 89 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)O L07612 [1,1,0,0,0,0|1,0,1]=4 90 B14R2.8235 Cc1ccc2c(c1)c(=O)[nH]c(=O)[nH]2 H63259 [1,1,0,0,0,0|1,0,1]=4 91 B14R2.8235 c1cc2c(cc1Br)c(=O)[nH]c(=O)[nH]2 H63547 [1,1,0,0,0,0|1,0,1]=4 92 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)N A15017 [1,1,0,0,0,0|2,0,0]=4 93 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)O A10337 [1,1,0,0,0,0|2,0,0]=4 94 B14R2.1131 COc1ccc(c2c1cccc2)O B20701 [1,1,0,0,0,0|1,0,0]=3 95 B16R2.23331 c1ccc2c(c1)c(cc(c2O)C(=O)O)O H60210 [0,2,0,0,0,0|2,0,0]=4 96 B14R2.260 Cn1c(cc(n1)c2ccccc2)N A15754 [0,0,1,1,0,0|2,0,0]=4 97 B14R2.98 COc1ccccc1c2ccno2 H33005 [0,0,1,1,0,0|2,0,0]=4 98 B12R2.18 CC1c2ccccc2NC1=O H27662 [1,0,0,0,1,0|2,0,0]=4 99 B12R2.18 Cn1c2ccccc2nc1Br H60075 [1,0,0,0,1,0|2,0,0]=4 100 B12R2.18 Cn1c2ccccc2nc1Cl H63559 [1,0,0,0,1,0|2,0,0]=4 101 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O A12206 [1,0,0,0,1,0|0,0,2]=4 102 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O A12584 [1,0,0,0,1,0|1,0,1]=4 103 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O 41771 [1,0,0,0,1,0|1,0,1]=4 104 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O A14955 [1,0,0,0,1,0|1,0,1]=4 105 B12R2.2028 c1ccc2c(c1)C(=O)[N-]C2=O A11134 [1,0,0,0,1,0|1,0,1]=4