0 B13R2.328 Cc1cc(c2ccccc2n1)Cl A15002 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.328 Cc1cc(c2ccccc2n1)N L14295 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.328 Cc1cc(c2ccccc2n1)O A14587 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.328 Cc1cc(nc2c1cccc2)C L08348 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.328 Cc1cc(nc2c1cccc2)Cl H26504 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.328 Cc1cc(nc2c1cccc2)O L07417 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.328 Cc1cc(nc2c1cccc2)S H34098 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O A15538 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 A14603 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O A14394 [0,0,0,0,0,0|4,0,0]=4 10 B13R2.328 c1ccc2c(c1)c(cc(n2)N)O L12760 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.328 c1ccc2c(c1)c(cc(n2)O)O B20747 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.328 c1ccc2c(c1)c(cc(n2)O)[O-] L12348 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.328 c1ccc2c(c1)c(nc(n2)N)N L13783 [0,0,0,0,0,0|0,0,0]=0 14 B13R2.328 c1ccc2c(c1)cc(cc2O)O A17739 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.328 c1ccc2c(c1)cc(nc2Br)N H50368 [0,0,0,0,0,0|2,0,0]=2 16 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl H59873 [0,0,0,0,0,0|3,0,0]=3 17 B13R2.328 c1cnc2c(n1)c(nc(n2)O)O L06732 [0,0,0,0,0,0|4,0,0]=4 18 B12R2.24 Cc1ccc2ccccc2c1 L02459 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.24 Cc1ccc2ccccc2n1 A13412 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.24 Cc1ccc2cccnc2n1 H34032 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.24 Cc1cnc2ccccc2n1 A15895 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.24 c1cc2cc(ccc2nc1)N L13819 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.24 c1ccc2c(c1)cc(cn2)N A16592 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.24 c1ccc2c(c1)ccc(n2)Br H27302 [1,0,0,0,0,0|2,0,0]=3 26 B12R2.24 c1ccc2c(c1)ccc(n2)Cl B23443 [1,0,0,0,0,0|2,0,0]=3 27 B12R2.24 c1ccc2c(c1)ccc(n2)O B23064 [1,0,0,0,0,0|2,0,0]=3 28 B12R2.24 c1ccc2c(c1)ccc(n2)S H55749 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.24 c1ccc2c(c1)ncc(n2)Br H61967 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.24 c1ccc2cc(ccc2c1)Br A15300 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.24 c1ccc2cc(ccc2c1)O A14564 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.24 c1ccc2cc(ccc2c1)[Mg+] H51160 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.24 c1ccc2cnc(cc2c1)O L19428 [1,0,0,0,0,0|2,0,0]=3 34 B12R2.1081 Cc1c2ccccc2ccn1 H27029 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.1081 Cc1cccc2c1cccc2 A15327 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.1081 Cc1ccnc2c1cccc2 A14040 [1,0,0,0,0,0|2,0,0]=3 37 B12R2.1081 c1cc(c2cccnc2c1)N L19628 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.1081 c1cc2cccnc2c(c1)N A16752 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.1081 c1cc2cnccc2c(c1)N L01223 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 A19798 [1,0,0,0,0,0|2,0,1]=4 41 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl H56721 [1,0,0,0,0,0|2,0,0]=3 42 B12R2.1081 c1ccc2c(c1)c(ccn2)O A15859 [1,0,0,0,0,0|2,0,0]=3 43 B12R2.1081 c1ccc2c(c1)c(ncn2)N H66948 [1,0,0,0,0,0|0,0,0]=1 44 B12R2.1081 c1ccc2c(c1)c(ncn2)O A17129 [1,0,0,0,0,0|1,0,0]=2 45 B12R2.1081 c1ccc2c(c1)cccc2Br A14122 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.1081 c1ccc2c(c1)cccc2Cl A15029 [1,0,0,0,0,0|3,0,0]=4 47 B12R2.1081 c1ccc2c(c1)cccc2F A18378 [1,0,0,0,0,0|3,0,0]=4 48 B12R2.1081 c1ccc2c(c1)cccc2I B22644 [1,0,0,0,0,0|3,0,0]=4 49 B12R2.1081 c1ccc2c(c1)cccc2N 44088 [1,0,0,0,0,0|2,0,0]=3 50 B12R2.1081 c1ccc2c(c1)cccc2N H60409 [1,0,0,0,0,0|2,0,0]=3 51 B12R2.1081 c1ccc2c(c1)cccc2O A11862 [1,0,0,0,0,0|3,0,0]=4 52 B12R2.1081 c1ccc2c(c1)cccc2S B24876 [1,0,0,0,0,0|3,0,0]=4 53 B12R2.1081 c1ccc2c(c1)cccc2[Mg+] H51159 [1,0,0,0,0,0|3,0,0]=4 54 B12R2.1081 c1ccc2c(c1)ccnc2Cl L17831 [1,0,0,0,0,0|2,0,0]=3 55 B12R2.1081 c1ccc2c(c1)ccnc2O H29124 [1,0,0,0,0,0|2,0,0]=3 56 B12R2.1081 c1ccc2c(c1)cnnc2Cl H27143 [1,0,0,0,0,0|3,0,0]=4 57 B14R2.1019 Cc1cc(nc2c1cccc2)NN H34273 [0,1,0,0,0,0|2,0,0]=3 58 B14R2.8045 Cc1cc(c2cccc(c2n1)F)Cl H50556 [0,1,0,0,0,0|3,0,0]=4 59 B14R2.8045 Cc1cccc2c1nc(cc2C)Cl H50151 [0,1,0,0,0,0|3,0,0]=4 60 B14R2.8045 Cc1cccc2c1nc(cc2Cl)C H51714 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)Cl H50553 [0,1,0,0,0,0|3,0,0]=4 62 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)O L07612 [0,1,0,0,0,0|3,0,0]=4 63 B14R2.8235 Cc1ccc2c(c1)c(=O)[nH]c(n2)N L14558 [0,1,0,0,0,0|1,0,1]=3 64 B14R2.8235 Cc1ccc2c(c1)c(nc(n2)Cl)Cl H63018 [0,1,0,0,0,0|2,0,0]=3 65 B14R2.8235 Cc1nc2ccc(cc2c(=O)o1)Br H50585 [0,1,0,0,0,0|3,0,0]=4 66 B14R2.8235 c1c(nc2c(n1)nc(nc2O)N)O A11600 [0,1,0,0,0,0|3,0,0]=4 67 B14R2.8235 c1cc2c(cc1Br)c(nc(n2)Cl)Cl H63603 [0,1,0,0,0,0|2,0,0]=3 68 B14R2.28480 c1cc2c(c(c1)F)c(nc(n2)N)N B20880 [0,1,0,0,0,0|0,0,0]=1 69 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)Cl H50554 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.107 c1ccc(cc1)C(=O)NC(=O)N L11313 [0,0,1,0,0,0|2,0,1]=4 71 B12R1.107 c1ccc(cc1)C(=O)NC(=S)N L12377 [0,0,1,0,0,0|2,0,1]=4 72 B12R2.18 Cc1c([nH]c2c1cccc2)C A18504 [0,0,0,0,1,0|2,0,1]=4 73 B12R2.18 Cn1c2ccccc2nc1Br H60075 [0,0,0,0,1,0|3,0,0]=4 74 B12R2.18 Cn1c2ccccc2nc1Cl H63559 [0,0,0,0,1,0|3,0,0]=4 75 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 A12468 [0,0,0,0,1,0|2,0,1]=4 76 B12R2.246 c1[nH]c2c(n1)nc(nc2Br)N B21629 [0,0,0,0,1,0|3,0,0]=4 77 B12R2.246 c1[nH]c2c(n1)nc(nc2Cl)N A18195 [0,0,0,0,1,0|3,0,0]=4 78 B12R2.246 c1[nH]c2c(n1)nc(nc2I)N H51672 [0,0,0,0,1,0|3,0,0]=4 79 B12R2.246 c1[nH]c2c(nc(nc2n1)Cl)N H60869 [0,0,0,0,1,0|3,0,0]=4 80 B12R2.246 c1[nH]c2c(nc(nc2n1)N)N A15649 [0,0,0,0,1,0|2,0,0]=3 81 B12R2.246 c1c2c(nc(nc2[nH]n1)O)N L03691 [0,0,0,0,1,0|3,0,0]=4 82 B12R2.246 c1c2c(nc(nc2[nH]n1)S)N L06934 [0,0,0,0,1,0|3,0,0]=4 83 B12R2.246 c1c[nH]c2c1c(nc(n2)Cl)Cl H64227 [0,0,0,0,1,0|3,0,0]=4 84 B12R2.246 c1c[nH]c2c1c(nc(n2)N)Cl H66806 [0,0,0,0,1,0|2,0,0]=3 85 B12R2.246 c1cnc-2[nH]c(nc(c12)O)N H54595 [0,0,0,0,1,0|2,0,1]=4 86 B12R2.2028 Cn1c2ccccc2c(n1)N H34285 [0,0,0,0,1,0|2,0,0]=3 87 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O A12206 [0,0,0,0,1,0|3,0,0]=4 88 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O A12584 [0,0,0,0,1,0|2,0,1]=4 89 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O 41771 [0,0,0,0,1,0|3,0,0]=4 90 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O A14955 [0,0,0,0,1,0|3,0,0]=4 91 B12R2.2028 c1ccc2c(c1)C(=O)[N-]C2=O A11134 [0,0,0,0,1,0|2,0,1]=4 92 B11R1.40 c1ccc(cc1)C\C(=N\O)\N H58835 [1,0,1,0,0,0|2,0,0]=4 93 B11R1.91 c1ccc(cc1)\C=C\C(=O)N A13429 [1,0,1,0,0,0|2,0,0]=4 94 B11R1.222 Cc1ccccc1\C(=N\O)\N H51719 [1,0,1,0,0,0|2,0,0]=4 95 B11R1.222 c1ccc(c(c1)\C(=N\O)\N)N H51782 [1,0,1,0,0,0|1,0,1]=4 96 B11R1.222 c1ccc(c(c1)\C(=N\O)\N)O H54898 [1,0,1,0,0,0|2,0,0]=4 97 B11R2.20 c1cc2c(cccn2)nc1 H64484 [2,0,0,0,0,0|2,0,0]=4 98 B11R2.20 c1ccc2c(c1)ccc[nH+]2 H55300 [2,0,0,0,0,0|1,0,1]=4 99 B11R2.20 c1ccc2c(c1)cccn2 43225 [2,0,0,0,0,0|1,0,0]=3 100 B11R2.20 c1ccc2c(c1)cccn2 A11545 [2,0,0,0,0,0|1,0,0]=3 101 B11R2.20 c1ccc2c(c1)cncn2 B24094 [2,0,0,0,0,0|0,0,0]=2 102 B11R2.20 c1ccc2c(c1)nccn2 A14055 [2,0,0,0,0,0|2,0,0]=4 103 B11R2.20 c1ccc2ccccc2c1 33347 [2,0,0,0,0,0|2,0,0]=4 104 B11R2.20 c1ccc2ccccc2c1 A13188 [2,0,0,0,0,0|2,0,0]=4 105 B11R2.20 c1ccc2cnccc2c1 B21279 [2,0,0,0,0,0|1,0,0]=3 106 B11R2.20 c1ccc2cnncc2c1 A12270 [2,0,0,0,0,0|2,0,0]=4 107 B13R2.57 c1ccc2c(c1)ccc(n2)C#N L19427 [1,1,0,0,0,0|1,0,1]=4 108 B13R2.57 c1ccc2c(c1)ccc(n2)C=O L20202 [1,1,0,0,0,0|2,0,0]=4 109 B13R2.57 c1ccc2c(c1)ccc(n2)CCl A14102 [1,1,0,0,0,0|2,0,0]=4 110 B13R2.57 c1ccc2c(c1)ccc(n2)NN H50700 [1,1,0,0,0,0|1,0,0]=3 111 B13R2.57 c1ccc2cnc(cc2c1)C#N L19426 [1,1,0,0,0,0|1,0,1]=4 112 B13R2.162 Cc1ccc2cccc(c2n1)Cl B20504 [1,1,0,0,0,0|2,0,0]=4 113 B13R2.162 Cc1ccc2cccc(c2n1)O L06989 [1,1,0,0,0,0|2,0,0]=4 114 B13R2.162 c1cc2ccc(nc2c(c1)F)Cl H33446 [1,1,0,0,0,0|2,0,0]=4 115 B13R2.369 Cc1cc2ccccc2nc1Cl H50492 [1,1,0,0,0,0|2,0,0]=4 116 B13R2.369 c1ccc2cc(c(cc2c1)N)N A12993 [1,1,0,0,0,0|2,0,0]=4 117 B13R2.369 c1ccc2cc(c(cc2c1)N)O B24570 [1,1,0,0,0,0|2,0,0]=4 118 B13R2.3683 Cc1ccc2c(c1)ccc(n2)C B23934 [1,1,0,0,0,0|2,0,0]=4 119 B13R2.3683 Cc1ccc2cc(ccc2n1)Br H27447 [1,1,0,0,0,0|2,0,0]=4 120 B13R2.3683 Cc1ccc2cc(ccc2n1)F A11469 [1,1,0,0,0,0|2,0,0]=4 121 B13R2.3683 Cc1ccc2cc(ccc2n1)N A13967 [1,1,0,0,0,0|2,0,0]=4 122 B13R2.3683 Cc1ccc2cc(ccc2n1)O A18846 [1,1,0,0,0,0|2,0,0]=4 123 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl H54895 [1,1,0,0,0,0|2,0,0]=4 124 B13R2.342 Cc1cccc2c1nccc2Cl H50201 [1,1,0,0,0,0|2,0,0]=4 125 B13R2.342 c1cc2c(cccc2N)c(c1)N B24262 [1,1,0,0,0,0|2,0,0]=4 126 B13R2.342 c1cc2c(ccnc2c(c1)F)Cl H50541 [1,1,0,0,0,0|2,0,0]=4 127 B13R2.342 c1cc2c(ccnc2c(c1)F)O H31831 [1,1,0,0,0,0|2,0,0]=4 128 B13R2.371 c1ccc2c(c1)c(ccc2O)N B23978 [1,1,0,0,0,0|2,0,0]=4 129 B13R2.1613 c1ccc2c(c1)c(ccn2)C=O L20203 [1,1,0,0,0,0|2,0,0]=4 130 B13R2.1613 c1ccc2c(c1)cccc2CN L03541 [1,1,0,0,0,0|2,0,0]=4 131 B13R2.1613 c1ccc2c(c1)ccnc2C#N L19425 [1,1,0,0,0,0|1,0,1]=4 132 B13R2.1613 c1ccc2c(c1)cnnc2NN B22995 [1,1,0,0,0,0|2,0,0]=4 133 B13R2.4818 c1cc2cccc(c2c(c1)N)N A15966 [1,1,0,0,0,0|2,0,0]=4 134 B13R2.5187 Cn1c2ccc(cc2c(n1)N)Br H33202 [0,1,0,0,1,0|2,0,0]=4 135 B15R2.59732 c1c(cc(c2c1c(nc(n2)Cl)Cl)Cl)Cl H63968 [0,2,0,0,0,0|2,0,0]=4 136 B13R2.10 Cc1c[nH]c(n1)c2ccccc2 L12945 [0,0,1,1,0,0|2,0,0]=4 137 B13R2.10 Cc1cc([nH]n1)c2ccccc2 H50650 [0,0,1,1,0,0|2,0,0]=4 138 B13R2.10 c1ccc(cc1)c2cc(n[nH]2)N A12701 [0,0,1,1,0,0|1,0,0]=3 139 B13R2.10 c1ccc(cc1)c2csc(n2)N A18488 [0,0,1,1,0,0|2,0,0]=4 140 B13R2.10 c1ccc(cc1)c2csc(n2)N A19542 [0,0,1,1,0,0|2,0,0]=4 141 B13R2.10 c1ccc(cc1)c2nc([nH]n2)S A12427 [0,0,1,1,0,0|1,0,1]=4 142 B13R2.10 c1ccc(cc1)c2nc(ns2)N H33552 [0,0,1,1,0,0|1,0,0]=3 143 B13R2.10 c1ccc(cc1)c2nnc(s2)N H32826 [0,0,1,1,0,0|1,0,1]=4 144 B11R1.36 c1ccc(cc1)[C@@H](C(=O)N)N H65751 [0,0,1,0,1,0|1,0,1]=4 145 B11R2.1 c1ccc2c(c1)C(=O)N=N2 L05860 [1,0,0,0,1,0|2,0,0]=4 146 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br H37775 [1,0,0,0,1,0|2,0,0]=4 147 B11R2.1 c1ccc2c(c1)c(n[nH]2)N H33435 [1,0,0,0,1,0|1,0,0]=3 148 B11R2.1 c1ccc2c(c1)c(ns2)Cl L17791 [1,0,0,0,1,0|2,0,0]=4 149 B11R2.1 c1ccn2c(c1)nnc2N H58980 [1,0,0,0,1,0|2,0,0]=4 150 B11R2.10 CC1=Cc2ccccc2C1 H26875 [1,0,0,0,1,0|2,0,0]=4 151 B11R2.10 Cc1[nH]c2ccccc2n1 A17290 [1,0,0,0,1,0|1,0,1]=4 152 B11R2.10 Cc1cc2ccccc2[nH]1 A10764 [1,0,0,0,1,0|1,0,1]=4 153 B11R2.10 Cc1cc2ccccc2s1 H32224 [1,0,0,0,1,0|2,0,0]=4 154 B11R2.10 Cc1cn2ccccc2n1 H35114 [1,0,0,0,1,0|2,0,0]=4 155 B11R2.10 Cc1nc2ccccc2o1 A13198 [1,0,0,0,1,0|2,0,0]=4 156 B11R2.10 Cc1nc2ccccc2s1 A13427 [1,0,0,0,1,0|2,0,0]=4 157 B11R2.10 c1ccc2c(c1)CC(=C2)Br B25474 [1,0,0,0,1,0|2,0,0]=4 158 B11R2.10 c1ccc2c(c1)[nH]c(n2)Br H26183 [1,0,0,0,1,0|1,0,1]=4 159 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl A12193 [1,0,0,0,1,0|1,0,1]=4 160 B11R2.10 c1ccc2c(c1)[nH]c(n2)N L02066 [1,0,0,0,1,0|0,0,1]=3 161 B11R2.10 c1ccc2c(c1)[nH]c(n2)O A18324 [1,0,0,0,1,0|1,0,1]=4 162 B11R2.10 c1ccc2c(c1)[nH]c(n2)S A18350 [1,0,0,0,1,0|1,0,1]=4 163 B11R2.10 c1ccc2c(c1)nc(o2)Cl L07981 [1,0,0,0,1,0|2,0,0]=4 164 B11R2.10 c1ccc2c(c1)nc(o2)S A12346 [1,0,0,0,1,0|2,0,0]=4 165 B11R2.10 c1ccc2c(c1)nc(s2)Br H63286 [1,0,0,0,1,0|2,0,0]=4 166 B11R2.10 c1ccc2c(c1)nc(s2)Cl A17762 [1,0,0,0,1,0|2,0,0]=4 167 B11R2.10 c1ccc2c(c1)nc(s2)F L19316 [1,0,0,0,1,0|2,0,0]=4 168 B11R2.10 c1ccc2c(c1)nc(s2)N A13521 [1,0,0,0,1,0|1,0,0]=3 169 B11R2.10 c1ccc2c(c1)nc(s2)O A16648 [1,0,0,0,1,0|2,0,0]=4 170 B11R2.10 c1ccc2c(c1)nc(s2)S A14086 [1,0,0,0,1,0|2,0,0]=4 171 B11R2.106 c1[nH]c2c(ncnc2n1)N A14906 [1,0,0,0,1,0|2,0,0]=4 172 B11R2.106 c1[nH]c2c(ncnc2n1)N A16964 [1,0,0,0,1,0|2,0,0]=4 173 B11R2.106 c1[nH]c2c(ncnc2n1)N A17622 [1,0,0,0,1,0|2,0,0]=4 174 B11R2.106 c1c2c(ncnc2[nH]n1)N L03519 [1,0,0,0,1,0|2,0,0]=4 175 B11R2.106 c1c[nH]c2c1c(ncn2)Cl B25713 [1,0,0,0,1,0|2,0,0]=4 176 B11R2.106 c1c[nH]c2c1c(ncn2)N H64602 [1,0,0,0,1,0|1,0,0]=3 177 B11R2.106 c1c[nH]c2c1c(ncn2)N H66987 [1,0,0,0,1,0|1,0,0]=3