0 B12R2.18 CC1c2ccccc2NC1=O A2Z00049804 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.18 Cc1c(c2ccccc2[nH]1)Br A2Z00061785 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.18 Cc1c(c2ccccc2[nH]1)I A2Z00061802 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.18 Cc1cc2ccccc2n1C A2Z00049652 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.18 Cn1c2ccccc2[nH]c1=O A2Z00085448 [0,0,0,0,0,0|1,0,0]=1 5 B11R2.1 Cn1ccc2c1cccn2 A2Z00096708 [1,0,0,0,0,0|3,0,0]=4 6 B11R2.1 c1ccc2c(c1)c(n[nH]2)N A2Z00087099 [1,0,0,0,0,0|3,0,0]=4 7 B11R2.1 c1ccc2c(c1)c(n[nH]2)O A2Z00061517 [1,0,0,0,0,0|2,0,0]=3 8 B11R2.1 c1ccc2c(c1)c(no2)O A2Z00096303 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.10 Cc1cc2ccccc2s1 A2Z00094894 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.10 Cc1nc2ccccc2s1 A2Z00096101 [1,0,0,0,0,0|2,0,1]=4 11 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 A2Z00069818 [1,0,0,0,0,0|2,0,0]=3 12 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl A2Z00074312 [1,0,0,0,0,0|1,0,1]=3 13 B11R2.10 c1ccc2c(c1)nc(s2)N A2Z00007218 [1,0,0,0,0,0|2,0,1]=4 14 B11R2.10 c1ccc2c(c1)nc(s2)S A2Z00098102 [1,0,0,0,0,0|1,1,1]=4 15 B13R2.135 CCN1c2ccccc2CC1=O A2Z00074116 [0,1,0,0,0,0|2,0,0]=3 16 B13R2.135 CCn1c2ccccc2oc1=O A2Z00048030 [0,1,0,0,0,0|2,0,0]=3 17 B13R2.135 Cc1c(c2ccccc2[nH]1)C=O A2Z00098831 [0,1,0,0,0,0|2,0,1]=4 18 B13R2.359 CC1(c2ccccc2NC1=O)C A2Z00048073 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.3028 CC1c2cc(ccc2NC1=O)Br A2Z00048132 [0,1,0,0,0,0|2,0,0]=3 20 B13R2.3028 CC1c2cc(ccc2NC1=O)N A2Z00047978 [0,1,0,0,0,0|2,0,0]=3 21 B13R2.3028 Cn1c2cc(ccc2oc1=O)N A2Z00046406 [0,1,0,0,0,0|2,0,0]=3 22 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 A2Z00097333 [0,1,0,0,0,0|1,0,1]=3 23 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 A2Z00030680 [0,1,0,0,0,0|1,0,1]=3 24 B13R2.3085 CN1c2ccccc2C(=O)C1=O A2Z00077108 [0,1,0,0,0,0|1,0,1]=3 25 B13R2.3085 Cc1c(c2ccccc2n1C)Br A2Z00056954 [0,1,0,0,0,0|3,0,0]=4 26 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O A2Z00094242 [0,1,0,0,0,0|1,0,1]=3 27 B13R2.5190 Cn1c2ccc(cc2oc1=O)N A2Z00046407 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.36 CC(=O)C(c1ccccc1)O A2Z00049601 [0,0,1,0,0,0|2,0,0]=3 29 B11R1.36 c1ccc(cc1)C(C(=O)Cl)Cl A2Z00094848 [0,0,1,0,0,0|3,0,0]=4 30 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl A2Z00094634 [0,0,1,0,0,0|3,0,0]=4 31 B11R1.40 c1ccc(cc1)NC(=O)CN A2Z00044283 [0,0,1,0,0,0|2,0,0]=3 32 B11R1.40 c1ccc(cc1)NC(=O)CO A2Z00068359 [0,0,1,0,0,0|1,0,0]=2 33 B13R2.32 CN1c2ccccc2CCC1=O A2Z00049373 [0,0,0,0,0,1|2,0,0]=3 34 B13R2.328 Cc1cc(=O)c2ccccc2[nH]1 A2Z00097492 [0,0,0,0,0,1|2,0,1]=4 35 B13R2.328 Cc1nc2ccccc2c(n1)O A2Z00097770 [0,0,0,0,0,1|2,0,1]=4 36 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)[nH]2 A2Z00061300 [0,0,0,0,0,1|1,0,1]=3 37 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=S)[nH]2 A2Z00056915 [0,0,0,0,0,1|1,1,1]=4 38 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)O A2Z00061526 [0,0,0,0,0,1|1,0,0]=2 39 B13R2.369 CC1C(=O)Nc2ccccc2O1 A2Z00066930 [0,0,0,0,0,1|2,0,0]=3 40 B13R2.369 Cc1cc2ccccc2[nH]c1=O A2Z00094815 [0,0,0,0,0,1|2,0,0]=3 41 B13R2.369 c1ccc2c(c1)CC(C(=O)N2)N A2Z00094761 [0,0,0,0,0,1|2,0,0]=3 42 B10R1.15 c1ccc(cc1)C(=O)C=O A2Z00094839 [1,0,1,0,0,0|1,0,1]=4 43 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [1,0,1,0,0,0|2,0,0]=4 44 B10R1.18 c1ccc(cc1)CC(=S)N A2Z00083382 [1,0,1,0,0,0|1,1,0]=4 45 B10R1.4 C=CCc1ccccc1O A2Z00093534 [1,0,1,0,0,0|2,0,0]=4 46 B10R1.61 c1ccc(c(c1)C(=O)O)Br A2Z00093939 [1,0,1,0,0,0|2,0,0]=4 47 B10R1.61 c1ccc(c(c1)C(=O)O)F A2Z00093478 [1,0,1,0,0,0|2,0,0]=4 48 B10R1.61 c1ccc(c(c1)C(=O)O)I A2Z00093586 [1,0,1,0,0,0|2,0,0]=4 49 B10R1.61 c1ccc(c(c1)C(=O)O)N A2Z00070269 [1,0,1,0,0,0|1,0,0]=3 50 B10R1.61 c1ccc(c(c1)C(=O)O)O A2Z00038631 [1,0,1,0,0,0|2,0,0]=4 51 B10R2.7 c1c[nH]c2c1cncc2 A2Z00096240 [2,0,0,0,0,0|2,0,0]=4 52 B10R2.7 c1cc2c(cc[nH]2)nc1 A2Z00096241 [2,0,0,0,0,0|2,0,0]=4 53 B10R2.7 c1cc2cc[nH]c2nc1 A2Z00096086 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.20 CC(=O)N(C)c1ccc(cc1)O A2Z00068350 [0,1,1,0,0,0|2,0,0]=4 55 B12R1.34 CCC(=O)N(C)c1ccccc1 A2Z00095184 [0,1,1,0,0,0|2,0,0]=4 56 B12R1.32 COCC(=O)Nc1ccccc1 A2Z00070375 [0,1,1,0,0,0|1,0,0]=3 57 B12R1.32 c1ccc(cc1)NC(=O)CC#N A2Z00097866 [0,1,1,0,0,0|2,0,0]=4 58 B12R1.32 c1ccc(cc1)NC(=O)CCS A2Z00069989 [0,1,1,0,0,0|1,1,0]=4 59 B12R1.43 c1ccnc(c1)NC(=O)C(=O)O A2Z00047055 [0,1,1,0,0,0|2,0,0]=4 60 B12R1.49 Cc1ccc(cc1)NC(=O)CCl A2Z00075121 [0,1,1,0,0,0|2,0,0]=4 61 B12R1.49 Cc1ccc(cc1)NC(=O)CO A2Z00068361 [0,1,1,0,0,0|1,0,0]=3 62 B12R1.49 Cc1ccc(cc1)NC(=O)CS A2Z00029474 [0,1,1,0,0,0|1,1,0]=4 63 B12R1.49 c1cc(ccc1NC(=O)CO)F A2Z00068363 [0,1,1,0,0,0|1,0,0]=3 64 B12R1.49 c1cc(ccc1NC(=O)CS)F A2Z00064160 [0,1,1,0,0,0|1,1,0]=4 65 B12R1.49 c1cc(ccc1NC(=S)NN)Cl A2Z00085525 [0,1,1,0,0,0|1,1,0]=4 66 B12R1.50 Cc1cccc(c1)NC(=O)CN A2Z00044975 [0,1,1,0,0,0|2,0,0]=4 67 B12R1.50 Cc1cccc(c1)NC(=O)CO A2Z00068360 [0,1,1,0,0,0|1,0,0]=3 68 B12R1.50 Cc1cccc(c1)NC(=O)CS A2Z00064158 [0,1,1,0,0,0|1,1,0]=4 69 B12R1.50 c1cc(cc(c1)Br)NC(=O)CCl A2Z00099282 [0,1,1,0,0,0|2,0,0]=4 70 B12R1.50 c1cc(cc(c1)Cl)NC(=O)CO A2Z00068364 [0,1,1,0,0,0|1,0,0]=3 71 B12R2.1 c1ccc2c(c1)c(c[nH]2)C#N A2Z00095431 [1,1,0,0,0,0|2,0,0]=4 72 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O A2Z00046648 [1,1,0,0,0,0|1,0,1]=4 73 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN A2Z00044917 [1,1,0,0,0,0|2,0,0]=4 74 B12R2.196 Cn1ccc2c1cccc2N A2Z00087603 [1,1,0,0,0,0|2,0,0]=4 75 B12R2.32 CNc1[nH]c2ccccc2n1 A2Z00056900 [1,1,0,0,0,0|1,0,1]=4 76 B12R2.32 c1cc2c(cc([nH]2)C=O)nc1 A2Z00096231 [1,1,0,0,0,0|2,0,0]=4 77 B12R2.32 c1ccc2c(c1)[nH]c(n2)NN A2Z00009299 [1,1,0,0,0,0|1,0,1]=4 78 B12R2.32 c1ccc2c(c1)cc(o2)C=O A2Z00095921 [1,1,0,0,0,0|2,0,0]=4 79 B12R2.202 Cc1cc2c([nH]1)cccc2O A2Z00096183 [1,1,0,0,0,0|2,0,0]=4 80 B12R2.202 Cc1cc2c(cccc2[nH]1)N A2Z00096014 [1,1,0,0,0,0|2,0,0]=4 81 B12R2.202 c1cc(c2c(c1)[nH]c(=O)o2)N A2Z00046404 [1,1,0,0,0,0|1,0,0]=3 82 B12R2.202 c1cc(c2c(c1)oc(=O)[nH]2)N A2Z00070298 [1,1,0,0,0,0|1,0,0]=3 83 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 A2Z00074262 [1,1,0,0,0,0|1,0,0]=3 84 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 A2Z00095173 [1,1,0,0,0,0|1,0,0]=3 85 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 A2Z00098390 [1,1,0,0,0,0|1,0,0]=3 86 B12R2.606 Cc1cc2cc(ccc2[nH]1)F A2Z00094211 [1,1,0,0,0,0|2,0,0]=4 87 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 A2Z00094309 [1,1,0,0,0,0|1,0,0]=3 88 B12R2.606 c1cc2c(cc1N)CC(=O)N2 A2Z00095275 [1,1,0,0,0,0|1,0,0]=3 89 B12R2.606 c1cc2c(cc1N)[nH]c(=O)o2 A2Z00046405 [1,1,0,0,0,0|1,0,0]=3 90 B12R2.606 c1cc2c(cc1N)nc([nH]2)Cl A2Z00050311 [1,1,0,0,0,0|1,0,1]=4 91 B12R2.606 c1cc2c(cc1N)oc(=O)[nH]2 A2Z00094049 [1,1,0,0,0,0|1,0,0]=3 92 B12R2.606 c1cc2c(cc1N)sc(=S)[nH]2 A2Z00061225 [1,1,0,0,0,0|1,1,0]=4 93 B12R2.606 c1cc2c(cc1O)sc(=O)o2 A2Z00017241 [1,1,0,0,0,0|2,0,0]=4 94 B14R2.4513 CN1c2cc(ccc2OCC1=O)N A2Z00067503 [0,1,0,0,0,1|2,0,0]=4 95 B14R2.4513 CN1c2cc(ccc2OCC1=O)N A2Z00068297 [0,1,0,0,0,1|2,0,0]=4 96 B14R2.7724 Cn1c2ccccc2c(=O)oc1=O A2Z00094248 [0,1,0,0,0,1|2,0,0]=4 97 B14R2.8038 CN1c2cccc(c2OCC1=O)N A2Z00050049 [0,1,0,0,0,1|2,0,0]=4 98 B14R2.8188 Cc1cc2ccccc2n(c1=O)C A2Z00095492 [0,1,0,0,0,1|2,0,0]=4 99 B14R2.29369 CN1c2ccc(cc2CCC1=O)Br A2Z00070051 [0,1,0,0,0,1|2,0,0]=4 100 B14R2.29369 CN1c2ccc(cc2CCC1=O)N A2Z00094530 [0,1,0,0,0,1|2,0,0]=4 101 B14R2.29369 CN1c2ccc(cc2OCC1=O)N A2Z00068296 [0,1,0,0,0,1|2,0,0]=4 102 B14R2.1146 c1ccc2c(c1)c(cc(=O)[nH]2)CBr A2Z00093994 [0,1,0,0,0,1|2,0,0]=4 103 B14R2.1146 c1ccc2c(c1)c(cc(=O)[nH]2)CN A2Z00047894 [0,1,0,0,0,1|2,0,0]=4 104 B14R2.29365 Cc1cc(=O)[nH]c2c1ccc(c2)Br A2Z00062407 [0,1,0,0,0,1|2,0,0]=4 105 B14R2.639 CC1(C(=O)Nc2ccccc2N1)C A2Z00097902 [0,1,0,0,0,1|2,0,0]=4 106 B14R2.639 CC1(C(=O)Nc2ccccc2O1)C A2Z00069807 [0,1,0,0,0,1|2,0,0]=4 107 B14R2.1128 CCC1C(=O)Nc2ccccc2O1 A2Z00068898 [0,1,0,0,0,1|2,0,0]=4 108 B14R2.1128 c1ccc2c(c1)CC(C(=O)N2)C#N A2Z00046485 [0,1,0,0,0,1|2,0,0]=4 109 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C#N A2Z00044963 [0,1,0,0,0,1|2,0,0]=4 110 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O A2Z00095263 [0,1,0,0,0,1|1,0,1]=4 111 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)CN A2Z00046462 [0,1,0,0,0,1|2,0,0]=4 112 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)Cl A2Z00097899 [0,1,0,0,0,1|2,0,0]=4 113 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)N A2Z00068346 [0,1,0,0,0,1|2,0,0]=4 114 B14R2.8239 Cc1cc2cc(ccc2[nH]c1=O)N A2Z00094168 [0,1,0,0,0,1|2,0,0]=4 115 B14R2.8239 Cc1cc2ccc(cc2[nH]c1=O)N A2Z00048848 [0,1,0,0,0,1|2,0,0]=4 116 B14R2.8239 Cc1ccc2c(c1)OC(C(=O)N2)C A2Z00070126 [0,1,0,0,0,1|2,0,0]=4 117 B14R2.8239 Cc1ccc2c(c1)[nH]c(=O)c(=O)[nH]2 A2Z00096003 [0,1,0,0,0,1|1,0,1]=4 118 B14R2.8239 c1cc2c(cc1Br)CC(C(=O)N2)N A2Z00049874 [0,1,0,0,0,1|2,0,0]=4 119 B14R2.8239 c1cc2c(cc1Cl)CC(C(=O)N2)N A2Z00095012 [0,1,0,0,0,1|2,0,0]=4 120 B14R2.28472 CC1C(=O)Nc2cccc(c2O1)N A2Z00094099 [0,1,0,0,0,1|2,0,0]=4 121 B14R2.450 CC(=O)c1c(c2ccccc2s1)O A2Z00098473 [0,2,0,0,0,0|2,0,0]=4 122 B14R2.450 Cn1c2ccccc2cc1C(=O)O A2Z00096774 [0,2,0,0,0,0|2,0,0]=4 123 B14R2.517 c1ccc2c(c1)[nH]c(=O)n2CCN A2Z00047806 [0,2,0,0,0,0|1,0,0]=3 124 B14R2.642 CC(=C1c2ccccc2NC1=O)C A2Z00094918 [0,2,0,0,0,0|2,0,0]=4 125 B14R2.642 CC(C)C1c2ccccc2NC1=O A2Z00049202 [0,2,0,0,0,0|2,0,0]=4 126 B14R2.4220 c1cc/2c(c(c1)Br)NC(=O)\C2=C/O A2Z00095531 [0,2,0,0,0,0|1,0,0]=3 127 B14R2.4220 c1cc/2c(c(c1)Br)NC(=O)\C2=N/N A2Z00095534 [0,2,0,0,0,0|2,0,0]=4 128 B14R2.4507 CC1(c2cc(ccc2NC1=O)N)C A2Z00048088 [0,2,0,0,0,0|2,0,0]=4 129 B14R2.3274 COc1ccc2c(c1)C(=O)C(=O)N2 A2Z00058621 [0,2,0,0,0,0|1,0,1]=4 130 B14R2.8716 CN1c2ccc(cc2C(=O)C1=O)Br A2Z00076698 [0,2,0,0,0,0|1,0,1]=4 131 B14R2.8716 CN1c2ccc(cc2C(C1=O)N)Br A2Z00073971 [0,2,0,0,0,0|2,0,0]=4 132 B14R2.9184 Cc1cc(cc2c1NC(=O)C2=O)Br A2Z00058026 [0,2,0,0,0,0|1,0,1]=4 133 B14R2.9184 Cc1cc2c(c(c1)Br)NC(=O)C2=O A2Z00061680 [0,2,0,0,0,0|1,0,1]=4 134 B14R2.8620 Cc1ccc(c2c1NC(=O)C2=O)Cl A2Z00061679 [0,2,0,0,0,0|1,0,1]=4 135 B14R2.1815 COc1ccc2c(c1)NC(=O)C2=O A2Z00061401 [0,2,0,0,0,0|1,0,1]=4 136 B12R2.24 c1cc2c(nc1)NC(=O)CO2 A2Z00068733 [0,0,1,1,0,0|2,0,0]=4 137 B12R2.24 c1ccc2c(c1)CCC(=O)N2 A2Z00074166 [0,0,1,1,0,0|2,0,0]=4 138 B12R2.24 c1ccc2c(c1)NC(=O)CO2 A2Z00083158 [0,0,1,1,0,0|1,0,0]=3 139 B12R2.24 c1ccc2c(c1)NCC(=O)N2 A2Z00039095 [0,0,1,1,0,0|2,0,0]=4 140 B12R1.27 c1ccc(cc1)CNC(=O)CCl A2Z00097817 [0,0,1,0,0,1|2,0,0]=4 141 B12R1.27 c1ccc(cc1)CNC(=O)CO A2Z00068365 [0,0,1,0,0,1|1,0,0]=3 142 B12R1.27 c1ccc(cc1)OCC(=O)NN A2Z00039102 [0,0,1,0,0,1|2,0,0]=4