0 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O Z2980228149 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.43 C/C(=C\C1=CC=NC=C1)/C(=O)O Z2466682039 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.43 C/C(=C\C1=CN=CC=C1)/C(=O)O Z2467131746 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.43 C/C(=C\C1=NC=CC=C1)/C(=O)O Z2467234655 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.43 CC(=O)N(C)CC1=CN=CC=C1 Z27006526 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Z3477804988 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.43 CC(N)C(O)CC1=CC=CC=C1 Z1483956878 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.43 CC(OC1=CN=CC=C1)C(=O)O Z336080820 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.43 CC(OC1=NC=CC=C1)C(=O)O Z360507460 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.43 CC(SC1=CC=CC=C1)C(=O)N Z19751098 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.43 CC(SC1=NC=CC=C1)C(=O)N Z18886410 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O Z31250551 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.43 CC(SC1=NC=CC=N1)C(=O)O Z31250552 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.43 CN(CC1=CC=CC=C1)C(=O)N Z198194348 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N Z228582754 [0,0,0,0,0,0|3,1,0]=4 20 B12R1.43 CN(CC1=NC=CC=C1)C(=O)N Z431977624 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [0,0,0,0,0,0|1,0,0]=1 22 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [0,0,0,0,0,0|1,0,0]=1 23 B12R1.43 NC(=O)C(N)CC1=NC=CC=C1 Z4981909244 [0,0,0,0,0,0|2,0,0]=2 24 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [0,0,0,0,0,0|1,0,0]=1 25 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [0,0,0,0,0,0|1,0,0]=1 26 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [0,0,0,0,0,0|0,0,0]=0 27 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [0,0,0,0,0,0|1,0,0]=1 28 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [0,0,0,0,0,0|1,0,0]=1 29 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O Z3697694105 [0,0,0,0,0,0|2,0,0]=2 30 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [0,0,0,0,0,0|1,0,0]=1 31 B12R1.43 NC(CC1=NC=CC=N1)C(=O)O Z2432992279 [0,0,0,0,0,0|2,0,0]=2 32 B12R1.43 NC(CC1=NC=NC=C1)C(=O)O Z2470415568 [0,0,0,0,0,0|2,0,0]=2 33 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [0,0,0,0,0,0|0,0,0]=0 34 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [0,0,0,0,0,0|0,0,0]=0 35 B12R1.43 O=C(O)/C(=C/C1=CN=CC=C1)/F Z2081677235 [0,0,0,0,0,0|2,0,2]=4 36 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [0,0,0,0,0,0|1,0,1]=2 37 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 Z362848468 [0,0,0,0,0,0|2,0,1]=3 38 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [0,0,0,0,0,0|1,0,0]=1 39 B12R1.43 O=C(O)C(O)CC1=NC=CC=C1 Z3486862716 [0,0,0,0,0,0|2,0,0]=2 40 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [0,0,0,0,0,0|1,0,0]=1 41 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [0,0,0,0,0,0|1,0,0]=1 42 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [1,0,0,0,0,0|1,0,1]=3 43 B11R1.40 C/C(=C\C1=CC=CC=C1)/C=O Z3219847417 [1,0,0,0,0,0|1,0,2]=4 44 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [1,0,0,0,0,0|1,0,1]=3 47 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.40 CN(CC1=CC=CC=C1)N=O Z1198147495 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.40 N/C(=N\O)/CC1=NC=CC=C1 Z285132826 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [1,0,0,0,0,0|0,0,1]=2 53 B11R1.40 NC(CO)CC1=CC=NC=C1 Z1824511267 [1,0,0,0,0,0|1,0,1]=3 54 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [1,0,0,0,0,0|1,0,1]=3 56 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [1,0,0,0,0,0|2,0,1]=4 57 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [1,0,0,0,0,0|0,0,1]=2 58 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [1,0,0,0,0,0|0,0,1]=2 59 B11R1.40 O=C/C(=C/C1=CC=CC=C1)/Br Z2312942099 [1,0,0,0,0,0|1,0,2]=4 60 B11R1.40 O=C/C(=C/C1=CC=CC=C1)/Cl Z104475950 [1,0,0,0,0,0|1,0,2]=4 61 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 Z2582847786 [1,0,0,0,0,0|1,0,2]=4 62 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.91 CC(=O)NCC1=NC=CC=C1 Z324553036 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.91 CC(=O)NNC1=CC=CC=C1 Z27767717 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [1,0,0,0,0,0|2,0,1]=4 68 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [1,0,0,0,0,0|2,0,1]=4 69 B11R1.91 CN(C)CCC1=CC=CC=C1 Z168912026 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [1,0,0,0,0,0|2,0,1]=4 71 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.91 N=C(N)COC1=CC=CC=C1 Z1532540938 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.91 N=C(N)CSC1=CC=CC=C1 Z1532718998 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.91 N=C(N)SCC1=CC=CC=C1 Z89242849 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [1,0,0,0,0,0|1,0,0]=2 76 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [1,0,0,0,0,0|2,0,0]=3 77 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.91 NC(=O)COC1=CN=CC=C1 Z336080090 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [1,0,0,0,0,0|2,0,0]=3 81 B11R1.91 NC(=O)CSC1=CC=NC=C1 Z33546963 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [1,0,0,0,0,0|2,0,0]=3 83 B11R1.91 NC(=O)NCC1=CC=NC=C1 Z198194796 [1,0,0,0,0,0|3,0,0]=4 84 B11R1.91 NC(=O)NCC1=CN=CC=C1 Z57664442 [1,0,0,0,0,0|3,0,0]=4 85 B11R1.91 NC(=O)NCC1=NC=CC=C1 Z198194794 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [1,0,0,0,0,0|2,0,0]=3 87 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [1,0,0,0,0,0|1,1,0]=3 88 B11R1.91 NC(=S)COC1=CC=CC=C1 Z108595128 [1,0,0,0,0,0|2,1,0]=4 89 B11R1.91 NC(=S)NCC1=CC=CC=C1 Z56900892 [1,0,0,0,0,0|2,1,0]=4 90 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [1,0,0,0,0,0|0,0,2]=3 91 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 Z2315575398 [1,0,0,0,0,0|1,0,2]=4 92 B11R1.91 O=C(O)/C=C/C1=CN=CC=C1 Z2315575379 [1,0,0,0,0,0|1,0,2]=4 93 B11R1.91 O=C(O)/C=C/C1=NC=CC=C1 Z57069085 [1,0,0,0,0,0|1,0,2]=4 94 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [1,0,0,0,0,0|0,0,2]=3 95 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [1,0,0,0,0,0|0,0,0]=1 96 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [1,0,0,0,0,0|1,0,0]=2 97 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [1,0,0,0,0,0|1,0,0]=2 98 B11R1.91 O=C(O)CCC1=CN=CN=C1 Z1198279878 [1,0,0,0,0,0|2,0,0]=3 99 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [1,0,0,0,0,0|1,0,0]=2 100 B11R1.91 O=C(O)CCC1=NC=CC=N1 Z1255372831 [1,0,0,0,0,0|2,0,0]=3 101 B11R1.91 O=C(O)CCC1=NC=CN=C1 Z1198184629 [1,0,0,0,0,0|2,0,0]=3 102 B11R1.91 O=C(O)CCC1=NC=NC=C1 Z1184882132 [1,0,0,0,0,0|2,0,0]=3 103 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [1,0,0,0,0,0|1,0,0]=2 104 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [1,0,0,0,0,0|2,0,0]=3 105 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [1,0,0,0,0,0|2,0,0]=3 106 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [1,0,0,0,0,0|2,0,0]=3 107 B11R1.91 O=C(O)CNC1=NC=CC=N1 Z228588498 [1,0,0,0,0,0|3,0,0]=4 108 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [1,0,0,0,0,0|1,0,0]=2 109 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [1,0,0,0,0,0|2,0,0]=3 110 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [1,0,0,0,0,0|1,0,0]=2 111 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [1,0,0,0,0,0|2,0,0]=3 112 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [1,0,0,0,0,0|2,0,0]=3 113 B11R1.91 O=C(O)CSC1=NC=CC=N1 Z31205664 [1,0,0,0,0,0|3,0,0]=4 114 B11R1.91 O=C([O-])COC1=NC=CC=C1 Z2989350877 [1,0,0,0,0,0|2,0,1]=4 115 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [1,0,0,0,0,0|1,0,1]=3 116 B11R1.91 O=[N+]([O-])CSC1=CC=CC=C1 Z1255375331 [1,0,0,0,0,0|2,0,1]=4 117 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [1,0,0,0,0,0|1,0,1]=3 118 B13R1.133 C/C(=C\C1=CC=C(C=C1)F)/C(=O)O Z1350606414 [0,1,0,0,0,0|1,0,2]=4 119 B13R1.133 CC(C)C(N)CC1=CC=C(C=C1)Cl Z513796444 [0,1,0,0,0,0|2,0,1]=4 120 B13R1.133 CC(C)C(N)CC1=CC=C(C=C1)F Z513796714 [0,1,0,0,0,0|2,0,1]=4 121 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)N Z1551999220 [0,1,0,0,0,0|2,0,0]=3 122 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)O Z513659390 [0,1,0,0,0,0|1,0,0]=2 123 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O Z513659166 [0,1,0,0,0,0|1,0,0]=2 124 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)O Z513658938 [0,1,0,0,0,0|1,0,0]=2 125 B13R1.133 CC(CC1=CC=C(C=C1)N)C(=O)O Z1262515083 [0,1,0,0,0,0|1,0,0]=2 126 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O Z56347385 [0,1,0,0,0,0|2,0,0]=3 127 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)N Z19727416 [0,1,0,0,0,0|3,0,0]=4 128 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O Z56922097 [0,1,0,0,0,0|2,0,0]=3 129 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O Z90662162 [0,1,0,0,0,0|2,0,0]=3 130 B13R1.133 CC(OC1=CC=C(C=C1)O)C(=O)N Z381414584 [0,1,0,0,0,0|3,0,0]=4 131 B13R1.133 CC(SC1=CC=C(C=C1)Br)C(=O)N Z18744282 [0,1,0,0,0,0|3,0,0]=4 132 B13R1.133 CC(SC1=CC=C(C=C1)Br)C(=O)O Z56278798 [0,1,0,0,0,0|2,0,0]=3 133 B13R1.133 CC(SC1=CC=C(C=C1)Cl)C(=O)O Z55179957 [0,1,0,0,0,0|2,0,0]=3 134 B13R1.133 CC(SC1=CC=C(C=C1)F)C(=O)N Z16034529 [0,1,0,0,0,0|3,0,0]=4 135 B13R1.133 CC(SC1=CC=C(C=C1)F)C(=O)O Z56279369 [0,1,0,0,0,0|2,0,0]=3 136 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O Z271004544 [0,1,0,0,0,0|1,0,1]=3 137 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O Z513658700 [0,1,0,0,0,0|1,0,0]=2 138 B13R1.133 CC1=CC=C(C=C1)CN(C)C(=O)N Z198194138 [0,1,0,0,0,0|3,0,0]=4 139 B13R1.133 CC1=CC=C(C=C1)NC(=O)C(=O)O Z57984667 [0,1,0,0,0,0|2,0,1]=4 140 B13R1.133 CC1=CC=C(C=C1)OC(C)C(=O)O Z56915889 [0,1,0,0,0,0|2,0,0]=3 141 B13R1.133 CC1=CC=C(C=C1)SC(C)C(=O)N Z18769844 [0,1,0,0,0,0|3,0,0]=4 142 B13R1.133 CC1=CC=C(C=C1)SC(C)C(=O)O Z56278800 [0,1,0,0,0,0|2,0,0]=3 143 B13R1.133 C[C@H](OC1=CC=C(C=C1)Cl)C(=O)O Z1508916088 [0,1,0,0,0,0|2,0,0]=3 144 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)Cl Z2065464318 [0,1,0,0,0,0|1,0,0]=2 145 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O Z3211890270 [0,1,0,0,0,0|1,0,0]=2 146 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O Z317024982 [0,1,0,0,0,0|0,0,0]=1 147 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O Z57969728 [0,1,0,0,0,0|0,0,0]=1 148 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O Z1263631851 [0,1,0,0,0,0|0,0,0]=1 149 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [0,1,0,0,0,0|0,0,0]=1 150 B13R1.133 NC(CC1=CN=C(C=C1)O)C(=O)O Z3543676837 [0,1,0,0,0,0|1,0,0]=2 151 B13R1.133 NC(CC1=NC=C(C=C1)Cl)C(=O)O Z3499018105 [0,1,0,0,0,0|1,0,0]=2 152 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O Z995228058 [0,1,0,0,0,0|0,0,0]=1 153 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O Z1269142887 [0,1,0,0,0,0|0,0,0]=1 154 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756440046 [0,1,0,0,0,0|0,0,0]=1 155 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O Z995228428 [0,1,0,0,0,0|0,0,0]=1 156 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O Z995228438 [0,1,0,0,0,0|0,0,0]=1 157 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O Z1269112635 [0,1,0,0,0,0|0,0,0]=1 158 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O Z969739284 [0,1,0,0,0,0|0,0,0]=1 159 B13R1.133 O=C(O)C(=O)NC1=CC=C(C=C1)Cl Z90122505 [0,1,0,0,0,0|2,0,1]=4 160 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)F Z57388220 [0,1,0,0,0,0|1,0,0]=2 161 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)F Z1255373692 [0,1,0,0,0,0|1,0,0]=2 162 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CCl Z56862395 [0,1,0,0,0,0|3,0,0]=4 163 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CN Z54748693 [0,1,0,0,0,0|3,0,0]=4 164 B13R1.135 CNC(=O)C(C)OC1=CC=CC=C1 Z32016970 [0,1,0,0,0,0|3,0,0]=4 165 B13R1.135 CNC(=O)C(C)SC1=CC=CC=C1 Z30271703 [0,1,0,0,0,0|3,0,0]=4 166 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 Z1449756300 [0,1,0,0,0,0|1,0,0]=2 167 B13R1.135 CNC(=O)N(C)CC1=CC=CC=C1 Z177087670 [0,1,0,0,0,0|3,0,0]=4 168 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 Z56867313 [0,1,0,0,0,0|0,0,0]=1 169 B13R1.135 COC(=O)C(N)CC1=CC=NC=C1 Z2197092950 [0,1,0,0,0,0|1,0,0]=2 170 B13R1.135 COC(=O)C(N)CC1=NC=CC=N1 Z5222614167 [0,1,0,0,0,0|2,0,0]=3 171 B13R1.148 CC(=O)N(C)CC1=CC(=CC=C1)N Z368504818 [0,1,0,0,0,0|3,0,0]=4 172 B13R1.148 CC(CC1=CC(=CC=C1)Cl)C(=O)O Z513660282 [0,1,0,0,0,0|1,0,0]=2 173 B13R1.148 CC(CC1=CC(=CC=C1)F)C(=O)O Z513660066 [0,1,0,0,0,0|1,0,0]=2 174 B13R1.148 CC(OC1=CC(=CC=C1)Br)C(=O)O Z228583330 [0,1,0,0,0,0|2,0,0]=3 175 B13R1.148 CC(OC1=CC(=CC=C1)Cl)C(=O)N Z19740686 [0,1,0,0,0,0|3,0,0]=4 176 B13R1.148 CC(OC1=CC(=CC=C1)Cl)C(=O)O Z57042071 [0,1,0,0,0,0|2,0,0]=3 177 B13R1.148 CC(OC1=CC(=CC=C1)F)C(=O)O Z228583338 [0,1,0,0,0,0|2,0,0]=3 178 B13R1.148 CC(OC1=CC(=CC=C1)N)C(=O)O Z274525908 [0,1,0,0,0,0|2,0,0]=3 179 B13R1.148 CC(OC1=CC(=CC=C1)O)C(=O)N Z381415416 [0,1,0,0,0,0|3,0,0]=4 180 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O Z2470414651 [0,1,0,0,0,0|0,0,0]=1 181 B13R1.148 CC1=CC(=CN=C1)CC(N)C(=O)O Z3401637181 [0,1,0,0,0,0|1,0,0]=2 182 B13R1.148 CC1=CC=CC(=C1)OC(C)C(=O)N Z19732836 [0,1,0,0,0,0|3,0,0]=4 183 B13R1.148 CC1=CC=CC(=C1)OC(C)C(=O)O Z56917379 [0,1,0,0,0,0|2,0,0]=3 184 B13R1.148 CC1=NC(=CC=C1)CC(N)C(=O)O Z4910394436 [0,1,0,0,0,0|1,0,0]=2 185 B13R1.148 C[N+]1=CC(=CC=C1)CC(N)C(=O)O Z3827376923 [0,1,0,0,0,0|1,0,0]=2 186 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O Z1770192944 [0,1,0,0,0,0|0,0,0]=1 187 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O Z1374884687 [0,1,0,0,0,0|0,0,0]=1 188 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O Z317025828 [0,1,0,0,0,0|0,0,0]=1 189 B13R1.148 NC(CC1=CC(=CN=C1)Br)C(=O)O Z3444795124 [0,1,0,0,0,0|1,0,0]=2 190 B13R1.148 NC(CC1=CC(=CN=C1)Cl)C(=O)O Z3353591955 [0,1,0,0,0,0|1,0,0]=2 191 B13R1.148 NC(CC1=CC(=CN=C1)F)C(=O)O Z3376051877 [0,1,0,0,0,0|1,0,0]=2 192 B13R1.148 NC(CC1=CC(=CN=C1)O)C(=O)O Z3400819408 [0,1,0,0,0,0|1,0,0]=2 193 B13R1.148 NC(CC1=CC(=NC=C1)O)C(=O)O Z3481534727 [0,1,0,0,0,0|1,0,0]=2 194 B13R1.148 NC(CC1=NC(=CC=N1)O)C(=O)O Z3326140144 [0,1,0,0,0,0|2,0,0]=3 195 B13R1.148 NC(CC1=NC=CC(=C1)Cl)C(=O)O Z3780525124 [0,1,0,0,0,0|1,0,0]=2 196 B13R1.148 NC(CC1=NC=NC(=C1)O)C(=O)O Z3531845722 [0,1,0,0,0,0|2,0,0]=3 197 B13R1.148 NC1=CC(=NC=C1)CC(N)C(=O)O Z3400147310 [0,1,0,0,0,0|1,0,0]=2 198 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O Z995228186 [0,1,0,0,0,0|0,0,0]=1 199 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O Z995228562 [0,1,0,0,0,0|0,0,0]=1 200 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)Cl Z1269030667 [0,1,0,0,0,0|1,0,0]=2 201 B13R1.152 CC(C(=O)O)C(N)C1=CC=CC=C1 Z1272096620 [0,1,0,0,0,0|1,0,0]=2 202 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)N Z2182115487 [0,1,0,0,0,0|1,0,0]=2 203 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O Z802846100 [0,1,0,0,0,0|0,0,0]=1 204 B13R1.152 CC(C1=CC=CC=C1)C(O)C(=O)O Z802846688 [0,1,0,0,0,0|1,0,0]=2 205 B13R1.152 CC(N)C(N)C(O)C1=CC=CC=C1 Z2724405896 [0,1,0,0,0,0|2,0,1]=4 206 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 Z1649893051 [0,1,0,0,0,0|0,0,0]=1 207 B13R1.202 CC(=O)N(C)CC1=C(C=CC=C1)N Z362599820 [0,1,0,0,0,0|3,0,0]=4 208 B13R1.202 CC(CC1=C(C=CC=C1)Cl)C(=O)O Z513661398 [0,1,0,0,0,0|1,0,0]=2 209 B13R1.202 CC(CC1=C(C=CC=C1)F)C(=O)O Z513661176 [0,1,0,0,0,0|1,0,0]=2 210 B13R1.202 CC(OC1=C(C=CC=C1)Br)C(=O)O Z228583522 [0,1,0,0,0,0|2,0,0]=3 211 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)N Z19726502 [0,1,0,0,0,0|3,0,0]=4 212 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O Z65532924 [0,1,0,0,0,0|2,0,0]=3 213 B13R1.202 CC(OC1=C(C=CC=C1)F)C(=O)O Z65532537 [0,1,0,0,0,0|2,0,0]=3 214 B13R1.202 CC(SC1=C(C=CC=C1)Br)C(=O)N Z166221244 [0,1,0,0,0,0|3,0,0]=4 215 B13R1.202 CC(SC1=C(C=CC=C1)Cl)C(=O)N Z18459330 [0,1,0,0,0,0|3,0,0]=4 216 B13R1.202 CC(SC1=C(C=CC=C1)Cl)C(=O)O Z56278782 [0,1,0,0,0,0|2,0,0]=3 217 B13R1.202 CC(SC1=C(C=CC=C1)F)C(=O)N Z18098319 [0,1,0,0,0,0|3,0,0]=4 218 B13R1.202 CC1=C(C=CC=C1)CC(C)C(=O)O Z513660952 [0,1,0,0,0,0|1,0,0]=2 219 B13R1.202 CC1=C(C=CC=C1)OC(C)C(=O)N Z19733750 [0,1,0,0,0,0|3,0,0]=4 220 B13R1.202 NC(=O)C(N)CC1=C(C=CC=C1)Cl Z1258519447 [0,1,0,0,0,0|1,0,0]=2 221 B13R1.202 NC(CC1=C(C=CC=C1)Br)C(=O)O Z2217033050 [0,1,0,0,0,0|0,0,0]=1 222 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O Z1065645436 [0,1,0,0,0,0|0,0,0]=1 223 B13R1.202 NC(CC1=C(N=CC=C1)O)C(=O)O Z3492296846 [0,1,0,0,0,0|1,0,0]=2 224 B13R1.202 NC(CC1=CN=CNC1=O)C(=O)O Z1510031321 [0,1,0,0,0,0|2,0,0]=3 225 B13R1.202 O=C(O)C(O)CC1=C(C=CC=C1)Cl Z1269030424 [0,1,0,0,0,0|1,0,0]=2 226 B13R1.353 CC(C)(C)C(N)CC1=CC=CC=C1 Z1268152326 [0,1,0,0,0,0|2,0,1]=4 227 B13R1.353 O=S(=O)([O-])C(O)CC1=CC=CC=C1 Z1836638623 [0,1,0,0,0,0|2,0,1]=4 228 B13R1.418 CC(C)C(CN)CC1=CC=CC=C1 Z1809367550 [0,1,0,0,0,0|2,0,1]=4 229 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)O Z513624620 [0,1,0,0,0,0|1,0,0]=2 230 B13R1.418 CCC(NC1=CC=CC=C1)C(=O)N Z727617676 [0,1,0,0,0,0|3,0,0]=4 231 B13R1.418 CCC(NC1=CC=CC=C1)C(=O)O Z274534828 [0,1,0,0,0,0|2,0,0]=3 232 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O Z104484470 [0,1,0,0,0,0|2,0,0]=3 233 B13R1.418 CCC(SC1=CC=CC=C1)C(=O)O Z149157470 [0,1,0,0,0,0|2,0,0]=3 234 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O Z446011606 [0,1,0,0,0,0|0,0,0]=1 235 B13R1.418 COC(CC1=CC=CC=C1)C(=O)N Z2233706113 [0,1,0,0,0,0|2,0,0]=3 236 B13R1.418 COC(CC1=CC=CC=C1)C(=O)O Z1258977185 [0,1,0,0,0,0|1,0,0]=2 237 B13R1.418 N#C/C(=C/C1=CC=CC=C1)/C(=O)O Z44303374 [0,1,0,0,0,0|0,0,3]=4 238 B13R1.418 NC(=O)N(CC1=CC=CC=C1)N=O Z1262622772 [0,1,0,0,0,0|2,0,1]=4 239 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O Z1258578382 [0,1,0,0,0,0|0,0,0]=1 240 B13R1.418 NCC(CC1=CC=NC=C1)C(=O)O Z2382197013 [0,1,0,0,0,0|1,0,0]=2 241 B13R1.418 NCC(CC1=CN=CC=C1)C(=O)O Z1601464443 [0,1,0,0,0,0|1,0,0]=2 242 B13R1.418 NCC(CC1=NC=CC=C1)C(=O)O Z1259273372 [0,1,0,0,0,0|1,0,0]=2 243 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O Z995179618 [0,1,0,0,0,0|1,0,0]=2 244 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)N Z727617504 [0,1,0,0,0,0|3,0,0]=4 245 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)O Z274535156 [0,1,0,0,0,0|2,0,0]=3 246 B13R1.1073 CC(C)(NC1=NC=CC=C1)C(=O)O Z1416165025 [0,1,0,0,0,0|3,0,0]=4 247 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O Z640389616 [0,1,0,0,0,0|2,0,0]=3 248 B13R1.1073 CC(C)(OC1=CN=CC=C1)C(=O)O Z1255405619 [0,1,0,0,0,0|3,0,0]=4 249 B13R1.1073 CC(C)C(C)(N)CC1=CC=CC=C1 Z2690366626 [0,1,0,0,0,0|2,0,1]=4 250 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O Z2680629352 [0,1,0,0,0,0|0,0,0]=1 251 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(F)F Z3013304115 [0,1,0,0,0,0|2,0,1]=4 252 B13R1.1073 CC(N)(CC1=CC=NC=C1)C(=O)O Z1251361035 [0,1,0,0,0,0|1,0,0]=2 253 B13R1.1073 CC(N)(CC1=NC=CC=C1)C(=O)O Z4830335089 [0,1,0,0,0,0|1,0,0]=2 254 B13R1.1073 CC(O)(CC1=CC=CC=C1)C(=O)O Z1079110682 [0,1,0,0,0,0|1,0,0]=2 255 B13R1.1073 C[C@@](O)(CC1=CC=CC=C1)C(=O)O Z1198165765 [0,1,0,0,0,0|1,0,0]=2 256 B13R1.1073 C[C@](O)(CC1=CC=CC=C1)C(=O)O Z1198165764 [0,1,0,0,0,0|1,0,0]=2 257 B13R1.1073 O=C(O)C(F)(F)OC1=CC=CC=C1 Z445134424 [0,1,0,0,0,0|2,0,0]=3 258 B13R2.197 C[C@@H]1C[C@@]1(N)CC2=CC=CC=C2 Z3487486148 [0,0,0,1,0,0|2,0,1]=4 259 B13R2.359 CC1(C2=C(C=CC=C2)CC1N)C Z5181794095 [0,0,0,1,0,0|2,0,1]=4 260 B13R2.369 CC1CC2=C(N=CC=C2)NC1=O Z1509214505 [0,0,0,1,0,0|3,0,0]=4 261 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O Z1201619874 [0,0,0,1,0,0|3,0,0]=4 262 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O Z164680268 [0,0,0,1,0,0|3,0,0]=4 263 B13R2.369 CC1SC2=C(C=CC=C2)NC1=O Z1198161114 [0,0,0,1,0,0|3,0,0]=4 264 B13R2.369 CN1CC2=C(C=CC=C2)NC1=O Z104476152 [0,0,0,1,0,0|3,0,0]=4 265 B13R2.369 CN1CC2=C(C=CC=C2)OC1=O Z1862014448 [0,0,0,1,0,0|2,0,0]=3 266 B13R2.369 NC1CC2=C(C=CC=C2)NC1=O Z2692093571 [0,0,0,1,0,0|1,0,0]=2 267 B13R2.369 NC1CC2=C(C=CN=C2)NC1=O Z2786036033 [0,0,0,1,0,0|2,0,0]=3 268 B13R2.369 NC1CC2=C(N=CC=C2)NC1=O Z2787257522 [0,0,0,1,0,0|2,0,0]=3 269 B13R2.369 O=C1NC2=C(C=CC=C2)OC1O Z984801448 [0,0,0,1,0,0|3,0,0]=4 270 B13R2.373 CC1C(=O)CC1C2=CC=CC=C2 Z1436543792 [0,0,0,1,0,0|2,0,0]=3 271 B13R2.373 CC1C(=O)NC1C2=CC=CC=C2 Z1267861070 [0,0,0,1,0,0|2,0,0]=3 272 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 Z1198162290 [0,0,0,1,0,0|1,0,0]=2 273 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2235584851 [0,0,0,1,0,0|1,0,0]=2 274 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=NC=C2 Z2379204261 [0,0,0,1,0,0|2,0,0]=3 275 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CN=CC=C2 Z2242045438 [0,0,0,1,0,0|2,0,0]=3 276 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=NC=CC=C2 Z3070727223 [0,0,0,1,0,0|2,0,0]=3 277 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 Z1235967724 [0,0,0,1,0,0|1,0,0]=2 278 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 Z1262510970 [0,0,0,1,0,0|1,0,0]=2 279 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 Z57931417 [0,0,0,1,0,0|1,0,1]=3 280 B13R2.435 CC(=O)C1=CC2=C(N1)C=CC=C2 Z1198159037 [0,0,0,1,0,0|1,0,2]=4 281 B13R2.435 CC(=O)C1=NC2=C(N1)C=CC=C2 Z90124730 [0,0,0,1,0,0|2,0,1]=4 282 B13R2.435 NC(=O)C1=CC2=C(N1)C=CC=C2 Z101185700 [0,0,0,1,0,0|1,0,2]=4 283 B13R2.435 NC(=O)C1=NC2=C(N1)C=CC=C2 Z276687202 [0,0,0,1,0,0|2,0,1]=4 284 B13R2.435 NC(=O)C1CC2=C(N1)C=CC=C2 Z1255399804 [0,0,0,1,0,0|1,0,0]=2 285 B13R2.435 NC(=O)C1CC2=C(O1)C=CC=C2 Z116821856 [0,0,0,1,0,0|2,0,0]=3 286 B13R2.435 NC(=O)N1CC2=C(C1)C=CC=C2 Z963453910 [0,0,0,1,0,0|3,0,0]=4 287 B13R2.435 NC(=O)[C@@H]1CC2=C(N1)C=CC=C2 Z760046840 [0,0,0,1,0,0|1,0,0]=2 288 B13R2.435 O=C(O)C1=CC2=C(C1)C=CC=C2 Z1255423596 [0,0,0,1,0,0|1,0,1]=3 289 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=C2 Z56347139 [0,0,0,1,0,0|0,0,2]=3 290 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=N2 Z1198266663 [0,0,0,1,0,0|1,0,2]=4 291 B13R2.435 O=C(O)C1=CC2=C(N1)C=NC=C2 Z1198323516 [0,0,0,1,0,0|1,0,2]=4 292 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=C2 Z56839706 [0,0,0,1,0,0|1,0,2]=4 293 B13R2.435 O=C(O)C1=CC2=C(S1)C=CC=C2 Z89265777 [0,0,0,1,0,0|1,0,2]=4 294 B13R2.435 O=C(O)C1=NC2=C(N1)C=CC=C2 Z274592454 [0,0,0,1,0,0|1,0,1]=3 295 B13R2.435 O=C(O)C1=NC2=C(S1)C=CC=C2 Z56899149 [0,0,0,1,0,0|1,0,2]=4 296 B13R2.435 O=C(O)C1CC2=C(C1)C=CC=C2 Z607808530 [0,0,0,1,0,0|1,0,0]=2 297 B13R2.435 O=C(O)C1CC2=C(C1)C=NC=C2 Z2213893333 [0,0,0,1,0,0|2,0,0]=3 298 B13R2.435 O=C(O)C1CC2=C(C1)N=CC=C2 Z1262528380 [0,0,0,1,0,0|2,0,0]=3 299 B13R2.435 O=C(O)C1CC2=C(C1)N=CC=N2 Z1416181876 [0,0,0,1,0,0|3,0,0]=4 300 B13R2.435 O=C(O)C1CC2=C(N1)C=CC=C2 Z343211224 [0,0,0,1,0,0|0,0,0]=1 301 B13R2.435 O=C(O)C1CC2=C(O1)C=CC=C2 Z104377952 [0,0,0,1,0,0|1,0,0]=2 302 B13R2.435 O=C(O)C1CC2=C(S1)C=CC=C2 Z221583708 [0,0,0,1,0,0|1,0,0]=2 303 B13R2.435 O=C(O)[C@@H]1CC2=C(N1)C=CC=C2 Z335079490 [0,0,0,1,0,0|0,0,0]=1 304 B13R2.444 NC(CC1=CC=CC=C1)C2CC2 Z1695784318 [0,0,0,1,0,0|2,0,1]=4 305 B11R1.35 CC(CC1=CC=CS1)C(=O)O Z756390536 [0,0,0,0,1,0|2,0,0]=3 306 B11R1.35 CC(CN1C=CC=N1)C(=O)O Z421787104 [0,0,0,0,1,0|3,0,0]=4 307 B11R1.35 CC(CN1C=CN=C1)C(=O)O Z1431781034 [0,0,0,0,1,0|3,0,0]=4 308 B11R1.35 NC(CC1=CC=CN1)C(=O)O Z1065645554 [0,0,0,0,1,0|1,0,0]=2 309 B11R1.35 NC(CC1=CC=CO1)C(=O)O Z317025794 [0,0,0,0,1,0|1,0,0]=2 310 B11R1.35 NC(CC1=CC=NO1)C(=O)O Z2429425584 [0,0,0,0,1,0|2,0,0]=3 311 B11R1.35 NC(CC1=CN=CS1)C(=O)O Z2753010848 [0,0,0,0,1,0|2,0,0]=3 312 B11R1.35 NC(CC1=CNC=N1)C(=O)O Z1259162152 [0,0,0,0,1,0|2,0,0]=3 313 B11R1.35 NC(CC1=COC=C1)C(=O)O Z3839442137 [0,0,0,0,1,0|1,0,0]=2 314 B11R1.35 NC(CC1=COC=N1)C(=O)O Z3377962909 [0,0,0,0,1,0|2,0,0]=3 315 B11R1.35 NC(CC1=CSC=C1)C(=O)O Z3251695259 [0,0,0,0,1,0|1,0,0]=2 316 B11R1.35 NC(CC1=CSC=N1)C(=O)O Z3355847058 [0,0,0,0,1,0|2,0,0]=3 317 B11R1.35 NC(CC1=NC=NS1)C(=O)O Z3753017084 [0,0,0,0,1,0|3,0,0]=4 318 B11R1.35 NC(CC1=NNC=C1)C(=O)O Z2503042485 [0,0,0,0,1,0|2,0,0]=3 319 B11R1.35 NC(CC1=NNC=N1)C(=O)O Z3479679094 [0,0,0,0,1,0|3,0,0]=4 320 B11R1.35 NC(CC1=NSN=C1)C(=O)O Z3379430810 [0,0,0,0,1,0|3,0,0]=4 321 B11R1.35 NC(CN1C=CC=N1)C(=O)O Z2933867195 [0,0,0,0,1,0|2,0,0]=3 322 B11R1.35 NC(CN1C=CN=C1)C(=O)O Z2310727968 [0,0,0,0,1,0|2,0,0]=3 323 B11R1.35 NC(CN1C=CN=N1)C(=O)O Z4271765232 [0,0,0,0,1,0|3,0,0]=4 324 B11R1.35 NC(CN1C=NC=N1)C(=O)O Z1702888516 [0,0,0,0,1,0|3,0,0]=4 325 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O Z359369984 [0,0,0,0,1,0|2,0,0]=3 326 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O Z1079168982 [0,0,0,0,1,0|2,0,0]=3 327 B11R1.35 O=C(O)C(=O)CC1=CC=CS1 Z271004562 [0,0,0,0,1,0|2,0,1]=4 328 B11R1.35 O=C(O)[C@@H](O)CC1=CNC=N1 Z3410265465 [0,0,0,0,1,0|3,0,0]=4 329 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 Z1201618094 [0,0,0,0,1,0|1,0,1]=3 330 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 Z1255485389 [0,0,0,0,1,0|2,0,1]=4 331 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 Z1255383314 [0,0,0,0,1,0|2,0,0]=3 332 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Z3234810419 [0,0,0,0,1,0|1,0,0]=2 333 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 Z31506242 [0,0,0,0,1,0|3,0,0]=4 334 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 Z1255506457 [0,0,0,0,1,0|2,0,0]=3 335 B11R1.36 CC(C(=O)O)C1=CN=CC=C1 Z792377268 [0,0,0,0,1,0|2,0,0]=3 336 B11R1.36 CC(C(=O)O)C1=CN=CN=C1 Z1860991554 [0,0,0,0,1,0|3,0,0]=4 337 B11R1.36 CC(C(=O)[O-])C1=CC=NC=C1 Z2408359395 [0,0,0,0,1,0|2,0,1]=4 338 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Z2588063686 [0,0,0,0,1,0|1,0,1]=3 339 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 Z5462337230 [0,0,0,0,1,0|2,0,0]=3 340 B11R1.36 C[C@H](C(=O)O)C1=CN=CC=C1 Z5462556304 [0,0,0,0,1,0|2,0,0]=3 341 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 Z57069256 [0,0,0,0,1,0|2,0,0]=3 342 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 Z57204607 [0,0,0,0,1,0|1,0,0]=2 343 B11R1.36 NC(=O)C(N)C1=NC=CC=C1 Z1251358507 [0,0,0,0,1,0|2,0,0]=3 344 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 Z147647142 [0,0,0,0,1,0|0,0,0]=1 345 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 Z815264186 [0,0,0,0,1,0|1,0,0]=2 346 B11R1.36 NC(C1=CC=CC=C1)C(F)F Z2211231766 [0,0,0,0,1,0|2,0,1]=4 347 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 Z278101784 [0,0,0,0,1,0|0,0,0]=1 348 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 Z957336528 [0,0,0,0,1,0|0,0,0]=1 349 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 Z381360894 [0,0,0,0,1,0|1,0,1]=3 350 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 Z104495824 [0,0,0,0,1,0|1,0,0]=2 351 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 Z1203161992 [0,0,0,0,1,0|1,0,0]=2 352 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 Z104473974 [0,0,0,0,1,0|1,0,0]=2 353 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 Z808230894 [0,0,0,0,1,0|1,0,0]=2 354 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 Z1201618616 [0,0,0,0,1,0|1,0,0]=2 355 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 Z1255390767 [0,0,0,0,1,0|1,0,0]=2 356 B11R1.36 O=C([O-])C(O)C1=NC=CC=C1 Z2357023524 [0,0,0,0,1,0|2,0,1]=4 357 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 Z1198148922 [0,0,0,0,0,1|2,0,1]=4 358 B13R1.348 CC(C)CC(N)CC1=CC=CC=C1 Z3214214500 [0,0,0,0,0,1|2,0,1]=4 359 B13R1.348 CN(C)CC(N)CC1=CC=CC=C1 Z335289212 [0,0,0,0,0,1|3,0,0]=4 360 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 Z1259040954 [0,0,0,0,0,1|2,0,0]=3 361 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [0,0,0,0,0,1|0,0,0]=1 362 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [0,0,0,0,0,1|1,0,0]=2 363 B13R1.351 C=C(COC1=CC=CC=C1)C(=O)O Z1197868054 [0,0,0,0,0,1|1,0,1]=3 364 B13R1.351 CC(/C=C/C1=CC=CC=C1)C(=O)O Z3241898772 [0,0,0,0,0,1|1,0,1]=3 365 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 Z906195336 [0,0,0,0,0,1|2,0,0]=3 366 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O Z425469932 [0,0,0,0,0,1|1,0,0]=2 367 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O Z431541708 [0,0,0,0,0,1|1,0,0]=2 368 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O Z426041612 [0,0,0,0,0,1|1,0,0]=2 369 B13R1.351 CC(NCC1=CN=CC=C1)C(=O)O Z440613690 [0,0,0,0,0,1|2,0,0]=3 370 B13R1.351 CC(NCC1=NC=CC=C1)C(=O)O Z1270255478 [0,0,0,0,0,1|2,0,0]=3 371 B13R1.351 CC(O)C(C)OCC1=CC=CC=C1 Z854223056 [0,0,0,0,0,1|2,0,1]=4 372 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)N Z394696218 [0,0,0,0,0,1|2,0,0]=3 373 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O Z316258798 [0,0,0,0,0,1|1,0,0]=2 374 B13R1.351 CC(OCC1=CC=NC=C1)C(=O)O Z2235681270 [0,0,0,0,0,1|2,0,0]=3 375 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Z18753939 [0,0,0,0,0,1|1,0,0]=2 376 B13R1.351 C[C@H](NCC1=NC=CC=C1)C(=O)O Z5717815294 [0,0,0,0,0,1|2,0,0]=3 377 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O Z1255498772 [0,0,0,0,0,1|1,0,0]=2 378 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O Z317025074 [0,0,0,0,0,1|0,0,0]=1 379 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O Z3004510439 [0,0,0,0,0,1|1,0,0]=2 380 B13R1.351 NC(CCC1=NC=CC=C1)C(=O)O Z2310672466 [0,0,0,0,0,1|1,0,0]=2 381 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O Z1255434715 [0,0,0,0,0,1|0,0,0]=1 382 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O Z1255399095 [0,0,0,0,0,1|0,0,0]=1 383 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 Z1201620725 [0,0,0,0,0,1|1,0,1]=3 384 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 Z1259340035 [0,0,0,0,0,1|1,0,0]=2 385 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [2,0,0,0,0,0|1,0,1]=4 386 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [2,0,0,0,0,0|2,0,0]=4 387 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [2,0,0,0,0,0|2,0,0]=4 388 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [2,0,0,0,0,0|1,0,1]=4 389 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [2,0,0,0,0,0|1,0,1]=4 390 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [2,0,0,0,0,0|2,0,0]=4 391 B10R1.17 O=C/C=C/C1=CC=CC=C1 Z3219847383 [2,0,0,0,0,0|0,0,2]=4 392 B10R1.17 O=CC#CC1=CC=CC=C1 Z1255485337 [2,0,0,0,0,0|0,0,2]=4 393 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [2,0,0,0,0,0|0,0,0]=2 394 B10R1.17 O=CCCC1=CC=NC=C1 Z1070006438 [2,0,0,0,0,0|1,0,0]=3 395 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [2,0,0,0,0,0|1,0,0]=3 396 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [2,0,0,0,0,0|1,0,0]=3 397 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [2,0,0,0,0,0|1,0,0]=3 398 B10R1.17 O=CCOC1=NC=CC=C1 Z1255434510 [2,0,0,0,0,0|2,0,0]=4 399 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [2,0,0,0,0,0|1,0,0]=3 400 B10R1.17 O=CNNC1=CC=CC=C1 Z1198148433 [2,0,0,0,0,0|2,0,0]=4 401 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [2,0,0,0,0,0|0,0,1]=3 402 B10R1.17 OCCCC1=CC=NC=C1 Z104475752 [2,0,0,0,0,0|1,0,1]=4 403 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [2,0,0,0,0,0|1,0,1]=4 404 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [2,0,0,0,0,0|1,0,1]=4 405 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [2,0,0,0,0,0|1,0,1]=4 406 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [2,0,0,0,0,0|1,0,1]=4 407 B10R1.18 CC(N)CC1=CC=NC=C1 Z285143992 [2,0,0,0,0,0|1,0,1]=4 408 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [2,0,0,0,0,0|1,0,0]=3 409 B10R1.18 CC(O)CC1=CC=NC=C1 Z992409872 [2,0,0,0,0,0|2,0,0]=4 410 B10R1.18 CC(O)CC1=NC=CC=C1 Z513750714 [2,0,0,0,0,0|2,0,0]=4 411 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [2,0,0,0,0,0|1,0,1]=4 412 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [2,0,0,0,0,0|0,0,1]=3 413 B10R1.18 NC(=O)CC1=CC=NC=C1 Z234895093 [2,0,0,0,0,0|1,0,1]=4 414 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [2,0,0,0,0,0|1,0,1]=4 415 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [2,0,0,0,0,0|0,1,1]=4 416 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [2,0,0,0,0,0|2,0,0]=4 417 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 Z995236210 [2,0,0,0,0,0|2,0,0]=4 418 B10R1.18 OB(O)CC1=CC=CC=C1 Z1147227831 [2,0,0,0,0,0|2,0,0]=4 419 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [1,1,0,0,0,0|1,0,1]=4 420 B12R1.32 CNCC(N)CC1=CC=CC=C1 Z756920442 [1,1,0,0,0,0|1,0,1]=4 421 B12R1.32 COCC(N)CC1=CC=CC=C1 Z825742276 [1,1,0,0,0,0|0,0,1]=3 422 B12R1.32 NC(CCO)CC1=CC=CC=C1 Z1992316427 [1,1,0,0,0,0|0,0,1]=3 423 B12R1.34 CC(C1=CC=CC=C1)C(N)CO Z1262398547 [1,1,0,0,0,0|0,0,1]=3 424 B12R1.34 CCC(N)C(C)C1=CC=CC=C1 Z1318372590 [1,1,0,0,0,0|1,0,1]=4 425 B12R1.34 CCC(N)C(O)C1=CC=CC=C1 Z1695783907 [1,1,0,0,0,0|1,0,1]=4 426 B12R1.34 NC(CO)C(O)C1=CC=NC=C1 Z2696777507 [1,1,0,0,0,0|1,0,1]=4 427 B12R1.34 NC(CO)C(O)C1=NC=CC=C1 Z2694807446 [1,1,0,0,0,0|1,0,1]=4 428 B12R1.49 CC1=CC=C(C=C1)CC(Cl)C=O Z982126370 [1,1,0,0,0,0|1,0,0]=3 429 B12R1.49 CC1=CC=C(C=C1)CC(N)CO Z1800620539 [1,1,0,0,0,0|0,0,1]=3 430 B12R1.49 CCC(N)CC1=CC=C(C=C1)Br Z2582143601 [1,1,0,0,0,0|1,0,1]=4 431 B12R1.49 CCC(N)CC1=CC=C(C=C1)C Z431980102 [1,1,0,0,0,0|1,0,1]=4 432 B12R1.49 CCC(N)CC1=CC=C(C=C1)Cl Z2044769785 [1,1,0,0,0,0|1,0,1]=4 433 B12R1.49 CCC(N)CC1=CC=C(C=C1)F Z2492774579 [1,1,0,0,0,0|1,0,1]=4 434 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [1,1,0,0,0,0|1,0,1]=4 435 B12R1.49 NC(CO)CC1=CC=C(C=C1)Cl Z3244488892 [1,1,0,0,0,0|0,0,1]=3 436 B12R1.49 NC(CO)CC1=CC=C(C=C1)F Z1849004242 [1,1,0,0,0,0|0,0,1]=3 437 B12R1.49 NC(CO)CC1=CC=C(C=C1)I Z1263636488 [1,1,0,0,0,0|0,0,1]=3 438 B12R1.49 NC1=CC=C(C=C1)CC(F)CO Z4580450313 [1,1,0,0,0,0|1,0,1]=4 439 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [1,1,0,0,0,0|0,0,1]=3 440 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [1,1,0,0,0,0|0,0,1]=3 441 B12R1.50 C#CC(N)CC1=CC(=CC=C1)F Z3178895122 [1,1,0,0,0,0|1,0,1]=4 442 B12R1.50 CC1=CC(=CC=C1)CC(N)CO Z1801307645 [1,1,0,0,0,0|0,0,1]=3 443 B12R1.50 CC1=NC(=CC=C1)CC(N)CO Z4870594850 [1,1,0,0,0,0|1,0,1]=4 444 B12R1.50 NC(CO)CC1=CC(=CC=C1)F Z1198222234 [1,1,0,0,0,0|0,0,1]=3 445 B12R1.118 CCC(CC1=CC=CC=C1)NC Z513799420 [1,1,0,0,0,0|1,0,1]=4 446 B12R1.118 COC(C=O)CC1=CC=CC=C1 Z1511872212 [1,1,0,0,0,0|1,0,0]=3 447 B12R1.118 COC(CO)CC1=CC=CC=C1 Z1896500221 [1,1,0,0,0,0|1,0,1]=4 448 B12R1.118 N#CC(CO)CC1=CC=CC=C1 Z1098915220 [1,1,0,0,0,0|0,0,2]=4 449 B12R1.118 NCC(CO)CC1=CC=CC=C1 Z234896807 [1,1,0,0,0,0|0,0,1]=3 450 B12R1.118 NCC(CO)CC1=CN=CC=C1 Z1860991485 [1,1,0,0,0,0|1,0,1]=4 451 B12R1.118 NCC(CO)CC1=NC=CC=C1 Z285228948 [1,1,0,0,0,0|1,0,1]=4 452 B12R1.118 OCC(CO)CC1=CC=CC=C1 Z1255372888 [1,1,0,0,0,0|1,0,1]=4 453 B12R1.194 CC(C)(C=O)CC1=CC=CC=C1 Z1188488760 [1,1,0,0,0,0|1,0,0]=3 454 B12R1.194 CC(C)(C=O)OC1=CC=CC=C1 Z1511766557 [1,1,0,0,0,0|2,0,0]=4 455 B12R1.371 CC1=C(C=CC=C1)CC(N)CO Z1198274419 [1,1,0,0,0,0|0,0,1]=3 456 B12R1.371 CCC(N)CC1=C(C=CC=C1)Br Z1416200896 [1,1,0,0,0,0|1,0,1]=4 457 B12R1.371 N/C(=N\O)/CC1=C(C=CC=C1)Cl Z451350216 [1,1,0,0,0,0|1,0,1]=4 458 B12R1.371 O=CC(Cl)CC1=C(C=CC=C1)Cl Z982126354 [1,1,0,0,0,0|1,0,0]=3 459 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [1,1,0,0,0,0|1,0,0]=3 460 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [1,1,0,0,0,0|1,0,0]=3 461 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [1,1,0,0,0,0|1,0,0]=3 462 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Br Z816034502 [1,1,0,0,0,0|2,0,0]=4 463 B12R1.21 CC(=O)NCC1=CC=C(C=C1)N Z600391558 [1,1,0,0,0,0|2,0,0]=4 464 B12R1.21 CC(O)CCC1=CC=C(C=C1)O Z57921369 [1,1,0,0,0,0|1,0,1]=4 465 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851512 [1,1,0,0,0,0|0,0,2]=4 466 B12R1.21 CC1=CC=C(C=C1)CCC(=O)N Z194976512 [1,1,0,0,0,0|1,0,0]=3 467 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [1,1,0,0,0,0|0,0,0]=2 468 B12R1.21 CC1=CC=C(C=C1)CNC(=O)N Z198194838 [1,1,0,0,0,0|2,0,0]=4 469 B12R1.21 CC1=CC=C(C=C1)OCC(=O)N Z19732046 [1,1,0,0,0,0|2,0,0]=4 470 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O Z56812739 [1,1,0,0,0,0|1,0,0]=3 471 B12R1.21 CC1=CC=C(C=C1)SCC(=O)N Z18770000 [1,1,0,0,0,0|2,0,0]=4 472 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O Z55903478 [1,1,0,0,0,0|1,0,0]=3 473 B12R1.21 CC1=NC=C(C=C1)CCC(=O)O Z2310699273 [1,1,0,0,0,0|1,0,0]=3 474 B12R1.21 NC(=O)CCC1=CC=C(C=C1)F Z87614992 [1,1,0,0,0,0|1,0,0]=3 475 B12R1.21 NC(=O)CCC1=CC=C(C=C1)N Z414316852 [1,1,0,0,0,0|1,0,0]=3 476 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Br Z104586672 [1,1,0,0,0,0|2,0,0]=4 477 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Cl Z104647358 [1,1,0,0,0,0|2,0,0]=4 478 B12R1.21 NC(=O)CNC1=CC=C(C=C1)I Z104728120 [1,1,0,0,0,0|2,0,0]=4 479 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br Z19725712 [1,1,0,0,0,0|2,0,0]=4 480 B12R1.21 NC(=O)COC1=CC=C(C=C1)F Z19734788 [1,1,0,0,0,0|2,0,0]=4 481 B12R1.21 NC(=O)COC1=CC=C(C=C1)I Z25086979 [1,1,0,0,0,0|2,0,0]=4 482 B12R1.21 NC(=O)COC1=CC=C(C=C1)N Z239127428 [1,1,0,0,0,0|2,0,0]=4 483 B12R1.21 NC(=O)COC1=CC=C(C=C1)O Z381414726 [1,1,0,0,0,0|2,0,0]=4 484 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Br Z18744574 [1,1,0,0,0,0|2,0,0]=4 485 B12R1.21 NC(=O)CSC1=CC=C(C=C1)F Z16034821 [1,1,0,0,0,0|2,0,0]=4 486 B12R1.21 NC(=O)NCC1=CC=C(C=C1)F Z198194834 [1,1,0,0,0,0|2,0,0]=4 487 B12R1.21 NC(=O)NCC1=CC=C(C=C1)N Z600391988 [1,1,0,0,0,0|2,0,0]=4 488 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O Z56762319 [1,1,0,0,0,0|0,0,2]=4 489 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [1,1,0,0,0,0|0,0,0]=2 490 B12R1.21 NC1=CC=C(C=C1)OCC(=O)O Z3241275736 [1,1,0,0,0,0|1,0,0]=3 491 B12R1.21 NC1=NC=C(C=C1)CCC(=O)O Z1255384430 [1,1,0,0,0,0|1,0,0]=3 492 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Br Z2237493681 [1,1,0,0,0,0|0,0,2]=4 493 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Cl Z56989206 [1,1,0,0,0,0|0,0,2]=4 494 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)F Z2942851074 [1,1,0,0,0,0|0,0,2]=4 495 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)O Z56911963 [1,1,0,0,0,0|0,0,2]=4 496 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [1,1,0,0,0,0|0,0,0]=2 497 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [1,1,0,0,0,0|0,0,0]=2 498 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [1,1,0,0,0,0|0,0,0]=2 499 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [1,1,0,0,0,0|0,0,0]=2 500 B12R1.21 O=C(O)CCC1=CN=C(C=C1)Cl Z1695923041 [1,1,0,0,0,0|1,0,0]=3 501 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Z1889997460 [1,1,0,0,0,0|1,0,0]=3 502 B12R1.21 O=C(O)CCC1=NC=C(C=C1)Br Z1269216724 [1,1,0,0,0,0|1,0,0]=3 503 B12R1.21 O=C(O)CCC1=NC=C(C=N1)F Z1347205920 [1,1,0,0,0,0|2,0,0]=4 504 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Br Z274534708 [1,1,0,0,0,0|1,0,0]=3 505 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Cl Z274534702 [1,1,0,0,0,0|1,0,0]=3 506 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O Z57127481 [1,1,0,0,0,0|1,0,0]=3 507 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br Z56812736 [1,1,0,0,0,0|1,0,0]=3 508 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl Z57181989 [1,1,0,0,0,0|1,0,0]=3 509 B12R1.21 O=C(O)COC1=CC=C(C=C1)F Z56978034 [1,1,0,0,0,0|1,0,0]=3 510 B12R1.21 O=C(O)COC1=CC=C(C=C1)I Z56943814 [1,1,0,0,0,0|1,0,0]=3 511 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [1,1,0,0,0,0|1,0,0]=3 512 B12R1.21 O=C(O)COC1=NC=C(C=C1)Br Z1269227587 [1,1,0,0,0,0|2,0,0]=4 513 B12R1.21 O=C(O)COC1=NC=C(C=C1)F Z1723875084 [1,1,0,0,0,0|2,0,0]=4 514 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Br Z55903477 [1,1,0,0,0,0|1,0,0]=3 515 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Cl Z55179956 [1,1,0,0,0,0|1,0,0]=3 516 B12R1.21 O=C(O)CSC1=CC=C(C=C1)F Z55903650 [1,1,0,0,0,0|1,0,0]=3 517 B12R1.21 O=C(O)CSC1=CC=C(C=C1)O Z733878444 [1,1,0,0,0,0|1,0,0]=3 518 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 Z1266856412 [1,1,0,0,0,0|1,0,0]=3 519 B12R1.27 C#CC(=O)NCC1=CC=CC=C1 Z1509142729 [1,1,0,0,0,0|2,0,0]=4 520 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 Z1255365960 [1,1,0,0,0,0|2,0,0]=4 521 B12R1.27 C=C(C=O)OCC1=CC=CC=C1 Z1198183530 [1,1,0,0,0,0|2,0,0]=4 522 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 Z56757233 [1,1,0,0,0,0|2,0,0]=4 523 B12R1.27 CC(C=O)CCC1=CC=CC=C1 Z1238838034 [1,1,0,0,0,0|1,0,1]=4 524 B12R1.27 CN(CCC1=CC=CC=C1)N=O Z3965372830 [1,1,0,0,0,0|2,0,0]=4 525 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [1,1,0,0,0,0|1,0,0]=3 526 B12R1.27 CNC(=O)COC1=CC=CC=C1 Z19735428 [1,1,0,0,0,0|2,0,0]=4 527 B12R1.27 CNC(=O)CSC1=CC=CC=C1 Z19750829 [1,1,0,0,0,0|2,0,0]=4 528 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [1,1,0,0,0,0|2,0,0]=4 529 B12R1.27 COC(=O)/C=C/C1=CC=CC=C1 Z19782655 [1,1,0,0,0,0|0,0,2]=4 530 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [1,1,0,0,0,0|0,0,0]=2 531 B12R1.27 COC(=O)CCC1=CC=NC=C1 Z1198171999 [1,1,0,0,0,0|1,0,0]=3 532 B12R1.27 COC(=O)CCC1=CN=CC=C1 Z1069406844 [1,1,0,0,0,0|1,0,0]=3 533 B12R1.27 COC(=O)CCC1=CN=CN=C1 Z1551943962 [1,1,0,0,0,0|2,0,0]=4 534 B12R1.27 COC(=O)CNC1=CC=CC=C1 Z1250132387 [1,1,0,0,0,0|1,0,0]=3 535 B12R1.27 COC(=O)NNC1=CC=CC=C1 Z56755853 [1,1,0,0,0,0|2,0,0]=4 536 B12R1.27 N/C(=N\O)/CCC1=CC=CC=C1 Z285132818 [1,1,0,0,0,0|1,0,0]=3 537 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 Z104341168 [1,1,0,0,0,0|2,0,0]=4 538 B12R1.27 NCC(=O)CCC1=CC=CC=C1 Z3719299469 [1,1,0,0,0,0|1,0,0]=3 539 B12R1.27 NCC(=O)NCC1=CC=CC=C1 Z398557160 [1,1,0,0,0,0|2,0,0]=4 540 B12R1.27 NCC(=O)OCC1=CC=CC=C1 Z56904671 [1,1,0,0,0,0|2,0,0]=4 541 B12R1.27 NNC(=O)CNC1=CC=CC=C1 Z56886393 [1,1,0,0,0,0|2,0,0]=4 542 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 Z1255432257 [1,1,0,0,0,0|1,0,0]=3 543 B12R1.27 O=C(CCl)COC1=CC=CC=C1 Z1255416714 [1,1,0,0,0,0|2,0,0]=4 544 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 Z56896328 [1,1,0,0,0,0|2,0,0]=4 545 B12R1.27 O=C(CO)NCC1=CC=CC=C1 Z228585446 [1,1,0,0,0,0|1,0,0]=3 546 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 Z352748396 [1,1,0,0,0,0|0,0,2]=4 547 B12R1.107 C=C(C)CC(N)C1=CC=CC=C1 Z4497189696 [1,1,0,0,0,0|2,0,0]=4 548 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [1,1,0,0,0,0|1,0,0]=3 549 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [1,1,0,0,0,0|0,0,0]=2 550 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Z352782496 [1,1,0,0,0,0|1,0,0]=3 551 B12R1.107 CC(NC(=O)N)C1=CC=CC=C1 Z198194342 [1,1,0,0,0,0|2,0,0]=4 552 B12R1.107 CN(CC(=O)N)C1=CC=CC=C1 Z54747686 [1,1,0,0,0,0|2,0,0]=4 553 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z1162448842 [1,1,0,0,0,0|1,0,0]=3 554 B12R1.107 CN(CC(=O)O)C1=CC=NC=C1 Z317257814 [1,1,0,0,0,0|2,0,0]=4 555 B12R1.107 CS(=O)CC(N)C1=CC=CC=C1 Z1238793494 [1,1,0,0,0,0|2,0,0]=4 556 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [1,1,0,0,0,0|0,0,0]=2 557 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 Z317027344 [1,1,0,0,0,0|1,0,0]=3 558 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [1,1,0,0,0,0|0,0,0]=2 559 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [1,1,0,0,0,0|0,0,0]=2 560 B12R1.107 O=C(O)/C=C(\I)/C1=CC=CC=C1 Z3379426714 [1,1,0,0,0,0|0,0,2]=4 561 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [1,1,0,0,0,0|0,0,0]=2 562 B12R1.107 O=C(O)NC(=O)C1=CC=CC=C1 Z56928966 [1,1,0,0,0,0|1,0,1]=4 563 B12R1.125 CC(=O)CCC1=C(C=CC=C1)F Z406376954 [1,1,0,0,0,0|1,0,0]=3 564 B12R1.125 CC(=O)NCC1=C(C=CC=C1)F Z29857733 [1,1,0,0,0,0|2,0,0]=4 565 B12R1.125 CC(=O)NCC1=C(C=CC=C1)N Z3711224127 [1,1,0,0,0,0|2,0,0]=4 566 B12R1.125 CC1=C(C=CC=C1)/C=C/C(=O)O Z2417574586 [1,1,0,0,0,0|0,0,2]=4 567 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O Z317037960 [1,1,0,0,0,0|0,0,0]=2 568 B12R1.125 CC1=C(C=CC=C1)NCC(=O)N Z104590676 [1,1,0,0,0,0|2,0,0]=4 569 B12R1.125 CC1=C(C=CC=C1)OCC(=O)N Z19733874 [1,1,0,0,0,0|2,0,0]=4 570 B12R1.125 CC1=C(C=CC=C1)OCC(=O)O Z56820406 [1,1,0,0,0,0|1,0,0]=3 571 B12R1.125 CC1=C(C=CC=C1)SCC(=O)O Z56870728 [1,1,0,0,0,0|1,0,0]=3 572 B12R1.125 CC1=C(C=CC=N1)CCC(=O)O Z3213741164 [1,1,0,0,0,0|1,0,0]=3 573 B12R1.125 CC1=C(N=CC=C1)CCC(=O)O Z1198279885 [1,1,0,0,0,0|1,0,0]=3 574 B12R1.125 NC(=O)CCC1=C(C=CC=C1)Br Z741559968 [1,1,0,0,0,0|1,0,0]=3 575 B12R1.125 NC(=O)CCC1=C(C=CC=C1)N Z414316848 [1,1,0,0,0,0|1,0,0]=3 576 B12R1.125 NC(=O)CCC1=C(C=CC=C1)O Z371352778 [1,1,0,0,0,0|1,0,0]=3 577 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Br Z137588472 [1,1,0,0,0,0|2,0,0]=4 578 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Cl Z104528166 [1,1,0,0,0,0|2,0,0]=4 579 B12R1.125 NC(=O)CNC1=C(C=CC=C1)I Z133437412 [1,1,0,0,0,0|2,0,0]=4 580 B12R1.125 NC(=O)COC1=C(C=CC=C1)Br Z17829253 [1,1,0,0,0,0|2,0,0]=4 581 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl Z19726626 [1,1,0,0,0,0|2,0,0]=4 582 B12R1.125 NC(=O)COC1=C(C=CC=C1)F Z19724798 [1,1,0,0,0,0|2,0,0]=4 583 B12R1.125 NC(=O)COC1=C(C=CC=C1)I Z406416164 [1,1,0,0,0,0|2,0,0]=4 584 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Br Z149386624 [1,1,0,0,0,0|2,0,0]=4 585 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Cl Z18459622 [1,1,0,0,0,0|2,0,0]=4 586 B12R1.125 NC(=O)CSC1=C(C=CC=C1)N Z57332466 [1,1,0,0,0,0|2,0,0]=4 587 B12R1.125 NC(=O)NCC1=C(C=CC=C1)Cl Z198194806 [1,1,0,0,0,0|2,0,0]=4 588 B12R1.125 NC(=O)NCC1=C(C=CC=C1)F Z198194842 [1,1,0,0,0,0|2,0,0]=4 589 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Br Z2315575361 [1,1,0,0,0,0|0,0,2]=4 590 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl Z57264035 [1,1,0,0,0,0|0,0,2]=4 591 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)F Z2573655240 [1,1,0,0,0,0|0,0,2]=4 592 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Br Z406704244 [1,1,0,0,0,0|0,0,0]=2 593 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl Z56943366 [1,1,0,0,0,0|0,0,0]=2 594 B12R1.125 O=C(O)CCC1=C(C=CC=C1)F Z57991059 [1,1,0,0,0,0|0,0,0]=2 595 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O Z56347225 [1,1,0,0,0,0|0,0,0]=2 596 B12R1.125 O=C(O)CCN1C=CC=CC1=O Z240085344 [1,1,0,0,0,0|1,0,0]=3 597 B12R1.125 O=C(O)CCN1C=CC=NC1=O Z432066996 [1,1,0,0,0,0|2,0,0]=4 598 B12R1.125 O=C(O)CCN1C=NC=CC1=O Z1154745726 [1,1,0,0,0,0|2,0,0]=4 599 B12R1.125 O=C(O)CCN1N=CC=CC1=O Z1021422926 [1,1,0,0,0,0|2,0,0]=4 600 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl Z274534698 [1,1,0,0,0,0|1,0,0]=3 601 B12R1.125 O=C(O)COC1=C(C=CC=C1)Br Z111834298 [1,1,0,0,0,0|1,0,0]=3 602 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl Z57042068 [1,1,0,0,0,0|1,0,0]=3 603 B12R1.125 O=C(O)COC1=C(C=CC=C1)F Z56823442 [1,1,0,0,0,0|1,0,0]=3 604 B12R1.125 O=C(O)COC1=C(C=CC=C1)O Z56869464 [1,1,0,0,0,0|1,0,0]=3 605 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Br Z56827233 [1,1,0,0,0,0|1,0,0]=3 606 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Cl Z55903470 [1,1,0,0,0,0|1,0,0]=3 607 B12R1.125 O=C(O)CSC1=C(C=CC=C1)F Z55903942 [1,1,0,0,0,0|1,0,0]=3 608 B12R1.125 O=C(O)CSC1=C(C=CC=C1)O Z905204160 [1,1,0,0,0,0|1,0,0]=3 609 B12R1.125 O=C(O)CSC1=[N+](C=CC=C1)[O-] Z55903473 [1,1,0,0,0,0|2,0,0]=4 610 B12R1.226 CC(=O)CCC1=CC(=CC=C1)C Z406376778 [1,1,0,0,0,0|1,0,0]=3 611 B12R1.226 CC(=O)CCC1=CC(=CC=C1)F Z406376716 [1,1,0,0,0,0|1,0,0]=3 612 B12R1.226 CC(=O)NCC1=CC(=CC=C1)Br Z340632658 [1,1,0,0,0,0|2,0,0]=4 613 B12R1.226 CC(=O)NCC1=CC(=CC=C1)F Z340527618 [1,1,0,0,0,0|2,0,0]=4 614 B12R1.226 CC1=CC(=CC=C1)/C=C/C(=O)O Z2942851787 [1,1,0,0,0,0|0,0,2]=4 615 B12R1.226 CC1=CC(=CC=C1)CCC(=O)N Z194976514 [1,1,0,0,0,0|1,0,0]=3 616 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [1,1,0,0,0,0|0,0,0]=2 617 B12R1.226 CC1=CC(=CC=C1)NCC(=O)N Z104589324 [1,1,0,0,0,0|2,0,0]=4 618 B12R1.226 CC1=CC(=CC=C1)OCC(=O)N Z19732960 [1,1,0,0,0,0|2,0,0]=4 619 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O Z56899056 [1,1,0,0,0,0|1,0,0]=3 620 B12R1.226 CC1=CC(=CC=C1)SCC(=O)O Z778642574 [1,1,0,0,0,0|1,0,0]=3 621 B12R1.226 NC(=O)CCC1=CC(=CC=C1)N Z414316850 [1,1,0,0,0,0|1,0,0]=3 622 B12R1.226 NC(=O)CNC1=CC(=CC=C1)Br Z104587998 [1,1,0,0,0,0|2,0,0]=4 623 B12R1.226 NC(=O)CNC1=CC(=CC=C1)F Z104640682 [1,1,0,0,0,0|2,0,0]=4 624 B12R1.226 NC(=O)COC1=CC(=CC=C1)F Z19755608 [1,1,0,0,0,0|2,0,0]=4 625 B12R1.226 NC(=O)COC1=CC(=CC=C1)I Z25076202 [1,1,0,0,0,0|2,0,0]=4 626 B12R1.226 NC(=O)COC1=CC(=CC=C1)N Z235344273 [1,1,0,0,0,0|2,0,0]=4 627 B12R1.226 NC(=O)COC1=CC(=CC=C1)O Z381415558 [1,1,0,0,0,0|2,0,0]=4 628 B12R1.226 NC(=O)NCC1=CC(=CC=C1)F Z362629554 [1,1,0,0,0,0|2,0,0]=4 629 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O Z2942853438 [1,1,0,0,0,0|0,0,2]=4 630 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Br Z2312942093 [1,1,0,0,0,0|0,0,2]=4 631 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Cl Z2573655238 [1,1,0,0,0,0|0,0,2]=4 632 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)F Z2935925467 [1,1,0,0,0,0|0,0,2]=4 633 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)O Z247613734 [1,1,0,0,0,0|0,0,2]=4 634 B12R1.226 O=C(O)C#CC1=CC(=CC=C1)Cl Z1143242523 [1,1,0,0,0,0|0,0,2]=4 635 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [1,1,0,0,0,0|0,0,0]=2 636 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [1,1,0,0,0,0|0,0,0]=2 637 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [1,1,0,0,0,0|0,0,0]=2 638 B12R1.226 O=C(O)CCC1=CC(=CN=C1)F Z1262517660 [1,1,0,0,0,0|1,0,0]=3 639 B12R1.226 O=C(O)CCC1=CC(=CN=C1)O Z1504676734 [1,1,0,0,0,0|1,0,0]=3 640 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl Z274534700 [1,1,0,0,0,0|1,0,0]=3 641 B12R1.226 O=C(O)COC1=CC(=CC=C1)Br Z56812737 [1,1,0,0,0,0|1,0,0]=3 642 B12R1.226 O=C(O)COC1=CC(=CC=C1)Cl Z57008935 [1,1,0,0,0,0|1,0,0]=3 643 B12R1.226 O=C(O)COC1=CC(=CN=C1)Br Z1206892989 [1,1,0,0,0,0|2,0,0]=4 644 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Br Z255149890 [1,1,0,0,0,0|1,0,0]=3 645 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Cl Z994465872 [1,1,0,0,0,0|1,0,0]=3 646 B12R1.226 O=C(O)CSC1=CC(=CC=C1)F Z1198220671 [1,1,0,0,0,0|1,0,0]=3 647 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [1,1,0,0,0,0|1,0,0]=3 648 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 Z513713254 [1,1,0,0,0,0|1,0,1]=4 649 B12R1.891 NS(=O)(=O)CCC1=CC=CC=C1 Z57965898 [1,1,0,0,0,0|1,0,1]=4 650 B12R1.891 O=S(=O)(F)CCC1=CC=CC=C1 Z1258763618 [1,1,0,0,0,0|1,0,1]=4 651 B12R1.104 CC1=CN(N=C1)CC(N)C(=O)O Z1737940744 [0,1,0,0,1,0|2,0,0]=4 652 B12R1.104 CN1C=C(C=N1)CC(N)C(=O)O Z1259335776 [0,1,0,0,1,0|2,0,0]=4 653 B12R1.104 CN1C=NC(=C1)C[C@H](N)C(=O)O Z3005524545 [0,1,0,0,1,0|2,0,0]=4 654 B12R1.104 NC(CC1=CSC(=C1)Cl)C(=O)O Z3464487109 [0,1,0,0,1,0|1,0,0]=3 655 B12R1.104 NC(CN1C=C(C=N1)Br)C(=O)O Z1762658278 [0,1,0,0,1,0|2,0,0]=4 656 B12R1.104 NC(CN1C=C(C=N1)Cl)C(=O)O Z1649677786 [0,1,0,0,1,0|2,0,0]=4 657 B12R1.104 NC1=NC(=CS1)CC(N)C(=O)O Z3482741151 [0,1,0,0,1,0|2,0,0]=4 658 B12R1.104 N[C@@H](CC1=CNC(=N1)S)C(=O)O Z1198148773 [0,1,0,0,1,0|2,0,0]=4 659 B12R1.104 N[C@H](CC1=CNC(=N1)S)C(=O)O Z1198234492 [0,1,0,0,1,0|2,0,0]=4 660 B12R1.108 COC(=O)C(N)CC1=CNN=C1 Z3376022026 [0,1,0,0,1,0|2,0,0]=4 661 B12R1.108 COC(=O)C(N)CC1=COC=C1 Z3991663285 [0,1,0,0,1,0|1,0,0]=3 662 B12R1.108 COC(=O)C(N)CC1=CSC=C1 Z3397220489 [0,1,0,0,1,0|1,0,0]=3 663 B12R1.108 COC(=O)C(N)CN1C=CC=N1 Z2904982884 [0,1,0,0,1,0|2,0,0]=4 664 B12R1.108 COC(=O)C(N)CN1C=CN=C1 Z1742055080 [0,1,0,0,1,0|2,0,0]=4 665 B12R1.145 CN1N=CC=C1CC(N)C(=O)O Z3681679050 [0,1,0,0,1,0|2,0,0]=4 666 B12R1.145 NC(CC1=C(SC=C1)Cl)C(=O)O Z3337480266 [0,1,0,0,1,0|1,0,0]=3 667 B12R1.1373 CC(N)(CN1C=CC=N1)C(=O)O Z2937689910 [0,1,0,0,1,0|2,0,0]=4 668 B12R1.20 C=C(C(=O)O)C1=CC=C(C=C1)Cl Z1255421681 [0,1,0,0,1,0|1,0,1]=4 669 B12R1.20 CC(=O)C(C)C1=CC=C(C=C1)Cl Z1276728135 [0,1,0,0,1,0|2,0,0]=4 670 B12R1.20 CC(=O)C(Cl)C1=CC=C(C=C1)F Z1255439681 [0,1,0,0,1,0|2,0,0]=4 671 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)Br Z1259342200 [0,1,0,0,1,0|1,0,0]=3 672 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)Cl Z982129848 [0,1,0,0,1,0|1,0,0]=3 673 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F Z792377290 [0,1,0,0,1,0|1,0,0]=3 674 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)I Z1269218602 [0,1,0,0,1,0|1,0,0]=3 675 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)N Z2935001159 [0,1,0,0,1,0|1,0,0]=3 676 B12R1.20 CC1=CC=C(C=C1)C(=O)C(=O)O Z118430526 [0,1,0,0,1,0|1,0,1]=4 677 B12R1.20 CC1=CC=C(C=C1)C(C)C(=O)O Z792377274 [0,1,0,0,1,0|1,0,0]=3 678 B12R1.20 CC1=CC=C(C=C1)C(N)C(=O)O Z317024662 [0,1,0,0,1,0|0,0,0]=2 679 B12R1.20 NC(=O)C(Br)C1=CC=C(C=C1)F Z198750878 [0,1,0,0,1,0|2,0,0]=4 680 B12R1.20 NC(=O)C(Cl)C1=CC=C(C=C1)Br Z56791849 [0,1,0,0,1,0|2,0,0]=4 681 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)Br Z57069227 [0,1,0,0,1,0|1,0,0]=3 682 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)Cl Z1255523404 [0,1,0,0,1,0|1,0,0]=3 683 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)F Z220512688 [0,1,0,0,1,0|1,0,0]=3 684 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Br Z317024668 [0,1,0,0,1,0|0,0,0]=2 685 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Cl Z317024646 [0,1,0,0,1,0|0,0,0]=2 686 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)F Z317024670 [0,1,0,0,1,0|0,0,0]=2 687 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O Z1198149764 [0,1,0,0,1,0|0,0,0]=2 688 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)F Z1255390982 [0,1,0,0,1,0|0,0,0]=2 689 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O Z1255364887 [0,1,0,0,1,0|0,0,0]=2 690 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)Cl Z381360896 [0,1,0,0,1,0|1,0,1]=4 691 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)F Z381360860 [0,1,0,0,1,0|1,0,1]=4 692 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)O Z2472464309 [0,1,0,0,1,0|1,0,1]=4 693 B12R1.20 O=C(O)C(F)C1=CC=C(C=C1)F Z1318255176 [0,1,0,0,1,0|1,0,0]=3 694 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Br Z788000726 [0,1,0,0,1,0|1,0,0]=3 695 B12R1.124 C=C(C(=O)O)C1=C(C=CC=C1)F Z1255374937 [0,1,0,0,1,0|1,0,1]=4 696 B12R1.124 CC(=O)C(N)C1=C(C=CC=C1)F Z2312540924 [0,1,0,0,1,0|1,0,0]=3 697 B12R1.124 CC(C(=O)O)C1=C(C=CC=C1)Cl Z982130746 [0,1,0,0,1,0|1,0,0]=3 698 B12R1.124 CC(C(=O)O)C1=C(C=CC=C1)F Z792377276 [0,1,0,0,1,0|1,0,0]=3 699 B12R1.124 CC1=C(C=CC=C1)C(C)C(=O)O Z792377258 [0,1,0,0,1,0|1,0,0]=3 700 B12R1.124 CC1=C(C=CC=C1)C(N)C(=O)O Z317024660 [0,1,0,0,1,0|0,0,0]=2 701 B12R1.124 CC1=C(C=CN=C1)C(C)C(=O)O Z3545523789 [0,1,0,0,1,0|2,0,0]=4 702 B12R1.124 CC1=C(N=CC=C1)C(O)C(=O)O Z1945984217 [0,1,0,0,1,0|2,0,0]=4 703 B12R1.124 NC(C(=O)O)C1=C(C=CC=C1)Br Z317024716 [0,1,0,0,1,0|0,0,0]=2 704 B12R1.124 NC(C(=O)O)C1=C(C=CC=C1)F Z317024726 [0,1,0,0,1,0|0,0,0]=2 705 B12R1.124 NC(C(=O)O)C1=C(C=CC=C1)I Z2941400819 [0,1,0,0,1,0|0,0,0]=2 706 B12R1.124 O=C(O)C(O)C1=C(C=CC=C1)Br Z788000812 [0,1,0,0,1,0|1,0,0]=3 707 B12R1.124 O=C(O)C(O)C1=C(C=CC=C1)I Z1269111466 [0,1,0,0,1,0|1,0,0]=3 708 B12R1.124 O=C(O)[C@H](O)C1=C(C=CC=C1)Cl Z1255488133 [0,1,0,0,1,0|1,0,0]=3 709 B12R1.225 CC(=O)C(O)C1=CC(=CC=C1)Cl Z1255467340 [0,1,0,0,1,0|2,0,0]=4 710 B12R1.225 CC(C(=O)O)C1=CC(=CC=C1)F Z792377330 [0,1,0,0,1,0|1,0,0]=3 711 B12R1.225 CC1=CC(=CC=C1)C(=O)C(=O)O Z1255379743 [0,1,0,0,1,0|1,0,1]=4 712 B12R1.225 CC1=CC(=CC=C1)C(N)C(=O)O Z317024596 [0,1,0,0,1,0|0,0,0]=2 713 B12R1.225 CC1=CC(=CC=C1)C(O)C(=O)O Z788000614 [0,1,0,0,1,0|1,0,0]=3 714 B12R1.225 CC1=CC=CC(=C1)C(C)C(=O)O Z802854000 [0,1,0,0,1,0|1,0,0]=3 715 B12R1.225 NC(=O)C(N)C1=CC(=CC=C1)Br Z477338262 [0,1,0,0,1,0|1,0,0]=3 716 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)Br Z317024672 [0,1,0,0,1,0|0,0,0]=2 717 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)Cl Z317024654 [0,1,0,0,1,0|0,0,0]=2 718 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)F Z317024592 [0,1,0,0,1,0|0,0,0]=2 719 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)I Z3477438782 [0,1,0,0,1,0|0,0,0]=2 720 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)O Z1532541074 [0,1,0,0,1,0|0,0,0]=2 721 B12R1.225 NC1=CC(=CC=C1)C(O)C(=O)O Z1262512603 [0,1,0,0,1,0|1,0,0]=3 722 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)Br Z788000730 [0,1,0,0,1,0|1,0,0]=3 723 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)Cl Z788000712 [0,1,0,0,1,0|1,0,0]=3 724 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)F Z788000610 [0,1,0,0,1,0|1,0,0]=3 725 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)I Z1269151011 [0,1,0,0,1,0|1,0,0]=3 726 B12R1.253 CC(=O)C(C)(C)C1=CC=CC=C1 Z406676998 [0,1,0,0,1,0|2,0,0]=4 727 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 Z104493600 [0,1,0,0,1,0|1,0,0]=3 728 B12R1.253 CC(C)(C(=O)O)C1=CN=CC=C1 Z1582263901 [0,1,0,0,1,0|2,0,0]=4 729 B12R1.253 CC(N)(C(=O)N)C1=CC=CC=C1 Z1211228973 [0,1,0,0,1,0|1,0,0]=3 730 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 Z600397716 [0,1,0,0,1,0|0,0,0]=2 731 B12R1.253 CC(N)(C(=O)O)C1=CN=CC=C1 Z4079861885 [0,1,0,0,1,0|1,0,0]=3 732 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 Z336127660 [0,1,0,0,1,0|1,0,0]=3 733 B12R1.253 C[C@@](O)(C(=O)O)C1=CC=CC=C1 Z1154245575 [0,1,0,0,1,0|1,0,0]=3 734 B12R1.253 C[C@](O)(C(=O)O)C1=CC=CC=C1 Z1119104455 [0,1,0,0,1,0|1,0,0]=3 735 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 Z56757372 [0,1,0,0,1,0|2,0,0]=4 736 B12R1.253 O=C(O)C(F)(F)C1=CC=CC=C1 Z56770330 [0,1,0,0,1,0|1,0,0]=3 737 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 Z104479150 [0,1,0,0,1,0|1,0,0]=3 738 B12R1.478 CCC(C(=O)O)C1=CN=CC=C1 Z982129822 [0,1,0,0,1,0|2,0,0]=4 739 B12R1.478 CNC(C(=O)O)C1=CC=CC=C1 Z1259273212 [0,1,0,0,1,0|0,0,0]=2 740 B12R1.478 COC(C(=O)C)C1=CC=CC=C1 Z1513595127 [0,1,0,0,1,0|2,0,0]=4 741 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 Z316258914 [0,1,0,0,1,0|1,0,0]=3 742 B12R1.478 CSC(C(=O)O)C1=CC=CC=C1 Z732206604 [0,1,0,0,1,0|1,0,0]=3 743 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 Z1913661007 [0,1,0,0,1,0|0,0,0]=2 744 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 Z1080722424 [0,1,0,0,1,0|1,0,0]=3 745 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 Z1262510670 [0,1,0,0,1,0|1,0,0]=3 746 B12R1.564 NC(C1=CC=CC=C1)P(=O)(O)O Z55625577 [0,1,0,0,1,0|1,0,0]=3 747 B14R1.337 CN(CC(=O)O)CC1=C(C=CC=C1)Cl Z1459900399 [0,1,0,0,0,1|2,0,0]=4 748 B14R1.417 O=C(O)CC(Br)C(=O)C1=CC=CC=C1 Z56886358 [0,1,0,0,0,1|1,0,1]=4 749 B14R1.425 CC(C(=O)O)N(C)CC1=CC=CC=C1 Z359351934 [0,1,0,0,0,1|2,0,0]=4 750 B14R1.425 C[C@@H](C(=O)O)N(C)CC1=CC=CC=C1 Z1198157192 [0,1,0,0,0,1|2,0,0]=4 751 B14R1.425 NC(=O)C(O)C(N)CC1=CC=CC=C1 Z2694742647 [0,1,0,0,0,1|1,0,0]=3 752 B14R1.425 NC(C(=O)O)C(O)CC1=CC=CC=C1 Z1262524640 [0,1,0,0,0,1|1,0,0]=3 753 B14R1.549 CCC(CC(=O)O)CC1=CC=CC=C1 Z1262513310 [0,1,0,0,0,1|1,0,0]=3 754 B14R1.549 CCC(CC1=CC=CC=C1)NC(=O)N Z1088508442 [0,1,0,0,0,1|2,0,0]=4 755 B14R1.698 CC(=O)NC(C)CC1=CC=C(C=C1)Br Z423118124 [0,1,0,0,0,1|2,0,0]=4 756 B14R1.698 CC(CC(=O)O)CC1=CC=C(C=C1)Cl Z1269212618 [0,1,0,0,0,1|1,0,0]=3 757 B14R1.698 CC1=CC=C(C=C1)CN(C)CC(=O)O Z1459900471 [0,1,0,0,0,1|2,0,0]=4 758 B14R1.743 COC(=O)NC(C)CC1=CC=CC=C1 Z1509182330 [0,1,0,0,0,1|1,0,0]=3 759 B14R1.1485 CC(C)(CC(=O)O)CC1=CC=CC=C1 Z1251359785 [0,1,0,0,0,1|1,0,0]=3 760 B14R1.5978 CC(=O)NC(C)CC1=CC(=CC=C1)Br Z844206202 [0,1,0,0,0,1|2,0,0]=4 761 B14R1.5978 CC(CC(=O)O)CC1=CC(=CC=C1)F Z1295543728 [0,1,0,0,0,1|1,0,0]=3 762 B14R1.5978 CN(CC(=O)O)CC1=CC(=CC=C1)Cl Z1459897420 [0,1,0,0,0,1|2,0,0]=4 763 B14R1.161 C=C(COC1=C(C=CC=C1)I)C(=O)O Z1197868436 [0,1,0,0,0,1|1,0,1]=4 764 B14R1.161 CC(CCC1=C(C=CC=C1)F)C(=O)O Z1218936074 [0,1,0,0,0,1|1,0,0]=3 765 B14R1.161 CC(NCC1=C(C=CC=C1)Cl)C(=O)O Z432066860 [0,1,0,0,0,1|1,0,0]=3 766 B14R1.161 CC1=C(C=CC=C1)CNC(C)C(=O)O Z425414584 [0,1,0,0,0,1|1,0,0]=3 767 B14R1.161 CC1=C(C=CC=C1)COC(C)C(=O)O Z1714302638 [0,1,0,0,0,1|1,0,0]=3 768 B14R1.415 CC(CC(N)C(=O)O)C1=CC=CC=C1 Z3018664835 [0,1,0,0,0,1|0,0,0]=2 769 B14R1.415 CC(NC(=O)C(=O)O)C1=CC=CC=C1 Z424779000 [0,1,0,0,0,1|1,0,1]=4 770 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O Z57229049 [0,1,0,0,0,1|1,0,1]=4 771 B14R1.415 CC(NC(C)C1=CC=CC=C1)C(=O)O Z1762658315 [0,1,0,0,0,1|1,0,0]=3 772 B14R1.415 CN(CC(N)C(=O)O)C1=CC=CC=C1 Z854090074 [0,1,0,0,0,1|0,0,0]=2 773 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O Z56889031 [0,1,0,0,0,1|1,0,1]=4 774 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O Z1459947400 [0,1,0,0,0,1|0,0,0]=2 775 B14R1.679 C=C(COC1=CC=C(C=C1)Br)C(=O)O Z1197868030 [0,1,0,0,0,1|1,0,1]=4 776 B14R1.679 C=C(COC1=CC=C(C=C1)C)C(=O)O Z1197868140 [0,1,0,0,0,1|1,0,1]=4 777 B14R1.679 CC(CSC1=CC=C(C=C1)F)C(=O)O Z431541816 [0,1,0,0,0,1|1,0,0]=3 778 B14R1.679 CC(NCC1=CC=C(C=C1)F)C(=O)O Z363997798 [0,1,0,0,0,1|1,0,0]=3 779 B14R1.679 CC(OCC1=CC=C(C=C1)F)C(=O)O Z1262558351 [0,1,0,0,0,1|1,0,0]=3 780 B14R1.679 CC(SCC1=CC=C(C=C1)Br)C(=O)O Z18753942 [0,1,0,0,0,1|1,0,0]=3 781 B14R1.679 CC(SCC1=CC=C(C=C1)Cl)C(=O)N Z18432807 [0,1,0,0,0,1|2,0,0]=4 782 B14R1.679 CC(SCC1=CC=C(C=C1)I)C(=O)N Z1276481977 [0,1,0,0,0,1|2,0,0]=4 783 B14R1.679 CC1=CC=C(C=C1)COC(C)C(=O)O Z1714301562 [0,1,0,0,0,1|1,0,0]=3 784 B14R1.679 NC(CCC1=CC=C(C=C1)Br)C(=O)O Z4310725393 [0,1,0,0,0,1|0,0,0]=2 785 B14R1.679 NC1=CC=C(C=C1)SCC(N)C(=O)O Z1263568367 [0,1,0,0,0,1|0,0,0]=2 786 B14R1.679 O=C(O)C(=O)NCC1=CC=C(C=C1)F Z424779476 [0,1,0,0,0,1|1,0,1]=4 787 B14R1.756 COC(=O)C(C)NCC1=CC=CC=C1 Z727800518 [0,1,0,0,0,1|1,0,0]=3 788 B14R1.756 COC(=O)C(C)SCC1=NC=CC=C1 Z1742663909 [0,1,0,0,0,1|2,0,0]=4 789 B14R1.4194 N#CC(CCC1=CC=CC=C1)C(=O)[O-] Z1881599031 [0,1,0,0,0,1|0,0,2]=4 790 B14R1.5956 C=C(COC1=CC(=CC=C1)Br)C(=O)O Z1197868056 [0,1,0,0,0,1|1,0,1]=4 791 B14R1.5956 C=C(COC1=CC(=CC=C1)Cl)C(=O)O Z1197868060 [0,1,0,0,0,1|1,0,1]=4 792 B14R1.5956 CC(CCC1=CC(=CC=C1)F)C(=O)O Z1259341391 [0,1,0,0,0,1|1,0,0]=3 793 B14R1.5956 CC(NCC1=CC(=CC=C1)F)C(=O)O Z426041634 [0,1,0,0,0,1|1,0,0]=3 794 B14R1.5956 CC(SCC1=CC(=CC=C1)Cl)C(=O)N Z742590214 [0,1,0,0,0,1|2,0,0]=4 795 B14R1.6395 CC(N)(CCC1=CC=CC=C1)C(=O)O Z594271932 [0,1,0,0,0,1|0,0,0]=2 796 B14R1.6395 CC(N)(COC1=CC=CC=C1)C(=O)N Z898430760 [0,1,0,0,0,1|1,0,0]=3 797 B14R1.6395 CC(O)(CCC1=CC=CC=C1)C(=O)O Z788000488 [0,1,0,0,0,1|1,0,0]=3 798 B14R1.6395 O=C(O)C(F)(F)/C=C/C1=CC=CC=C1 Z1262527962 [0,1,0,0,0,1|1,0,1]=4 799 B14R1.3 CC(CC1=CC=C(C=C1)C#N)C(=O)O Z1198652586 [0,2,0,0,0,0|1,0,0]=3 800 B14R1.3 CC(OC1=CC=C(C=C1)C#N)C(=O)O Z65534997 [0,2,0,0,0,0|2,0,0]=4 801 B14R1.3 CC(OC1=CC=C(C=C1)C=O)C(=O)O Z400426336 [0,2,0,0,0,0|2,0,0]=4 802 B14R1.3 CC(SC1=CC=C(C=C1)C#N)C(=O)O Z331871172 [0,2,0,0,0,0|2,0,0]=4 803 B14R1.3 COC1=CC=C(C=C1)CC(C)C(=O)O Z513659616 [0,2,0,0,0,0|1,0,0]=3 804 B14R1.3 COC1=CC=C(C=C1)CC(O)C(=O)O Z1198174222 [0,2,0,0,0,0|1,0,0]=3 805 B14R1.3 COC1=CC=C(C=C1)OC(C)C(=O)O Z57825367 [0,2,0,0,0,0|2,0,0]=4 806 B14R1.3 COC1=CC=C(C=C1)SC(C)C(=O)O Z149354266 [0,2,0,0,0,0|2,0,0]=4 807 B14R1.3 CSC1=CC=C(C=C1)CC(N)C(=O)O Z1695906941 [0,2,0,0,0,0|0,0,0]=2 808 B14R1.3 CSC1=CC=C(C=C1)OC(C)C(=O)O Z1143283334 [0,2,0,0,0,0|2,0,0]=4 809 B14R1.132 CC(C(=O)O)C(N)C1=CC=C(C=C1)Br Z1895583549 [0,2,0,0,0,0|1,0,0]=3 810 B14R1.132 CC1=CC=C(C=C1)C(C)C(O)C(=O)O Z1271904593 [0,2,0,0,0,0|1,0,0]=3 811 B14R1.134 COC(=O)C(C)NC1=CC=C(C=C1)Br Z727818918 [0,2,0,0,0,0|2,0,0]=4 812 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)F Z24274546 [0,2,0,0,0,0|2,0,0]=4 813 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)F Z1511495088 [0,2,0,0,0,0|0,0,0]=2 814 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)O Z57000505 [0,2,0,0,0,0|0,0,0]=2 815 B14R1.134 COC(=O)N(C)CC1=CC=C(C=C1)N Z425368560 [0,2,0,0,0,0|2,0,0]=4 816 B14R1.536 CC1=CC=C(C=C1)CC(CN)C(=O)O Z1478043848 [0,2,0,0,0,0|0,0,0]=2 817 B14R1.536 CCC(CC1=CC=C(C=C1)N)C(=O)O Z1262539468 [0,2,0,0,0,0|1,0,0]=3 818 B14R1.536 NCC(CC1=CC=C(C=C1)Cl)C(=O)O Z1222331429 [0,2,0,0,0,0|0,0,0]=2 819 B14R1.536 NCC(CC1=CC=C(C=C1)F)C(=O)N Z367446796 [0,2,0,0,0,0|1,0,0]=3 820 B14R1.536 NCC(OC1=CC=C(C=C1)F)C(=O)O Z1508667025 [0,2,0,0,0,0|1,0,0]=3 821 B14R1.686 CC(CC1=CC(=C(C=C1)F)Br)C(=O)O Z756390562 [0,2,0,0,0,0|1,0,0]=3 822 B14R1.686 CC(CC1=CC(=C(C=C1)F)F)C(=O)O Z1341747667 [0,2,0,0,0,0|1,0,0]=3 823 B14R1.686 CC(CC1=CC(=C(C=C1)O)O)C(=O)O Z1198162859 [0,2,0,0,0,0|1,0,0]=3 824 B14R1.686 CC(OC1=CC(=C(C=C1)Cl)Cl)C(=O)O Z65558816 [0,2,0,0,0,0|2,0,0]=4 825 B14R1.686 CC(OC1=CC(=C(C=C1)F)F)C(=O)O Z228583520 [0,2,0,0,0,0|2,0,0]=4 826 B14R1.686 CC(SC1=CC(=C(C=C1)F)F)C(=O)O Z92657116 [0,2,0,0,0,0|2,0,0]=4 827 B14R1.686 CC1=C(C=C(C=C1)CC(N)C(=O)O)C Z2238618571 [0,2,0,0,0,0|0,0,0]=2 828 B14R1.686 CC1=C(C=C(C=C1)CC(S)C(=O)O)C Z57982188 [0,2,0,0,0,0|1,0,0]=3 829 B14R1.686 CC1=C(C=CC(=C1)OC(C)C(=O)O)Cl Z149187304 [0,2,0,0,0,0|2,0,0]=4 830 B14R1.686 NC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)O Z317025744 [0,2,0,0,0,0|0,0,0]=2 831 B14R1.686 NC(CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5185412106 [0,2,0,0,0,0|0,0,0]=2 832 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)Br)C(=O)O Z1269188313 [0,2,0,0,0,0|0,0,0]=2 833 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)I)C(=O)O Z1269198907 [0,2,0,0,0,0|0,0,0]=2 834 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z756440064 [0,2,0,0,0,0|0,0,0]=2 835 B14R1.686 N[C@H](CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5212272143 [0,2,0,0,0,0|0,0,0]=2 836 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z1255419382 [0,2,0,0,0,0|0,0,0]=2 837 B14R1.686 O=C(O)C(=O)CC1=CC(=C(C=C1)Cl)Cl Z234896633 [0,2,0,0,0,0|1,0,1]=4 838 B14R1.700 CC(C)(O)C(N)CC1=CC=C(C=C1)F Z3251561990 [0,2,0,0,0,0|1,0,1]=4 839 B14R1.6049 CC(CC1=C(C=C(C=C1)Cl)Cl)C(=O)N Z1148102314 [0,2,0,0,0,0|2,0,0]=4 840 B14R1.6049 CC(CC1=C(C=C(C=C1)Cl)Cl)C(=O)O Z756390528 [0,2,0,0,0,0|1,0,0]=3 841 B14R1.6049 CC(NC1=C(C=C(C=C1)Cl)Cl)C(=O)O Z852756828 [0,2,0,0,0,0|2,0,0]=4 842 B14R1.6049 CC(OC1=C(C=C(C=C1)Br)F)C(=O)O Z65900763 [0,2,0,0,0,0|2,0,0]=4 843 B14R1.6049 CC(OC1=C(C=C(C=C1)Cl)Br)C(=O)O Z65900097 [0,2,0,0,0,0|2,0,0]=4 844 B14R1.6049 CC(OC1=C(C=C(C=C1)Cl)Cl)C(=O)O Z57181990 [0,2,0,0,0,0|2,0,0]=4 845 B14R1.6049 CC(OC1=C(C=C(C=C1)F)Br)C(=O)O Z65900346 [0,2,0,0,0,0|2,0,0]=4 846 B14R1.6049 CC(OC1=C(C=C(C=C1)F)Cl)C(=O)O Z65572154 [0,2,0,0,0,0|2,0,0]=4 847 B14R1.6049 CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O Z104496946 [0,2,0,0,0,0|2,0,0]=4 848 B14R1.6049 CC1=C(C=CC(=C1)Cl)O[C@@H](C)C(=O)O Z1508917184 [0,2,0,0,0,0|2,0,0]=4 849 B14R1.6049 CC1=C(C=CC(=C1)Cl)O[C@H](C)C(=O)O Z1269231761 [0,2,0,0,0,0|2,0,0]=4 850 B14R1.6049 CC1=CC(=C(C=C1)OC(C)C(=O)O)Br Z228583550 [0,2,0,0,0,0|2,0,0]=4 851 B14R1.6049 CC1=CC(=C(C=C1)OC(C)C(=O)O)C Z228583516 [0,2,0,0,0,0|2,0,0]=4 852 B14R1.6049 C[C@H](OC1=C(C=C(C=C1)Cl)Cl)C(=O)O Z1269114363 [0,2,0,0,0,0|2,0,0]=4 853 B14R1.6049 NC(CC1=C(C=C(C=C1)F)F)C(=O)O Z3847441641 [0,2,0,0,0,0|0,0,0]=2 854 B14R1.6049 NC(CC1=CNC(=O)NC1=O)C(=O)O Z3627917021 [0,2,0,0,0,0|2,0,0]=4 855 B14R1.6049 NC(CN1C=CC(=O)NC1=O)C(=O)O Z1235963691 [0,2,0,0,0,0|2,0,0]=4 856 B14R1.7626 CC(C)(CC1=CC=C(C=C1)Br)C(=O)O Z995179700 [0,2,0,0,0,0|1,0,0]=3 857 B14R1.7626 CC(C)(CC1=CC=C(C=C1)Cl)C(=O)O Z995179626 [0,2,0,0,0,0|1,0,0]=3 858 B14R1.7626 CC(C)(CC1=CC=C(C=C1)O)C(=O)O Z1376887330 [0,2,0,0,0,0|1,0,0]=3 859 B14R1.7626 CC(C)(OC1=CC=C(C=C1)Br)C(=O)O Z57229604 [0,2,0,0,0,0|2,0,0]=4 860 B14R1.7626 CC(C)(OC1=CC=C(C=C1)Cl)C(=O)O Z57727844 [0,2,0,0,0,0|2,0,0]=4 861 B14R1.7626 CC(C)(OC1=CC=C(C=C1)F)C(=O)O Z57047005 [0,2,0,0,0,0|2,0,0]=4 862 B14R1.7626 CC(C)(SC1=CC=C(C=C1)Br)C(=O)O Z803539492 [0,2,0,0,0,0|2,0,0]=4 863 B14R1.7626 CC(N)(CC1=CC=C(C=C1)Br)C(=O)O Z2786605576 [0,2,0,0,0,0|0,0,0]=2 864 B14R1.7626 CC(N)(CC1=CC=C(C=C1)F)C(=O)O Z2734797269 [0,2,0,0,0,0|0,0,0]=2 865 B14R1.7626 C[C@](N)(CC1=CC=C(C=C1)O)C(=O)O Z1255434943 [0,2,0,0,0,0|0,0,0]=2 866 B14R1.60 CCOC(=O)C(N)CC1=CC=CC=C1 Z223645256 [0,2,0,0,0,0|0,0,0]=2 867 B14R1.60 CCOC(=O)C(O)CC1=CC=CC=C1 Z965048074 [0,2,0,0,0,0|1,0,0]=3 868 B14R1.85 COC(=O)C(=O)C(Cl)C1=CC=CC=C1 Z1245785005 [0,2,0,0,0,0|1,0,1]=4 869 B14R1.85 COC(=O)C(C)C(=O)C1=CC=CC=C1 Z839827610 [0,2,0,0,0,0|1,0,1]=4 870 B14R1.85 COC(=O)C(C)C(N)C1=CC=CC=C1 Z1324054896 [0,2,0,0,0,0|1,0,0]=3 871 B14R1.85 COC(=O)C(N)C(C)C1=CC=CC=C1 Z3021703696 [0,2,0,0,0,0|0,0,0]=2 872 B14R1.135 COC(=O)C(C)OC1=CC(=CC=C1)C Z54178710 [0,2,0,0,0,0|2,0,0]=4 873 B14R1.135 COC(=O)C(F)CC1=CC(=CC=C1)N Z4544308432 [0,2,0,0,0,0|1,0,0]=3 874 B14R1.135 COC(=O)C(N)CC1=CC(=CC=C1)Br Z3333650468 [0,2,0,0,0,0|0,0,0]=2 875 B14R1.135 COC(=O)C(N)CC1=CC(=CC=C1)Cl Z4790981271 [0,2,0,0,0,0|0,0,0]=2 876 B14R1.135 COC(=O)C(N)CC1=NC(=CC=C1)C Z4911926286 [0,2,0,0,0,0|1,0,0]=3 877 B14R1.135 COC(=O)C(N)CC1=NC(=CC=N1)O Z3484625100 [0,2,0,0,0,0|2,0,0]=4 878 B14R1.1007 COC(=O)C(N)CC1=C(C=CC=C1)Br Z2937135494 [0,2,0,0,0,0|0,0,0]=2 879 B14R1.1007 COC(=O)C(N)CC1=C(C=CC=C1)O Z2418413784 [0,2,0,0,0,0|0,0,0]=2 880 B14R1.1031 CCC(NC1=CC=CC=C1)C(=O)OC Z727805046 [0,2,0,0,0,0|2,0,0]=4 881 B14R1.1031 CNC(CC1=CC=CC=C1)C(=O)OC Z3045559913 [0,2,0,0,0,0|0,0,0]=2 882 B14R1.1031 COC(=O)C(CN)CC1=CC=NC=C1 Z1592691404 [0,2,0,0,0,0|1,0,0]=3 883 B14R1.1031 COC(=O)C(CO)CC1=CC=CC=C1 Z356300486 [0,2,0,0,0,0|1,0,0]=3 884 B14R1.1107 COC(=O)C(C)(N)CC1=CC=NC=C1 Z5198506246 [0,2,0,0,0,0|1,0,0]=3 885 B14R1.75 C#CC1=CC=CC(=C1)NC(C)C(=O)O Z852756372 [0,2,0,0,0,0|2,0,0]=4 886 B14R1.75 CC(OC1=CC(=CC=C1)C#N)C(=O)O Z149253096 [0,2,0,0,0,0|2,0,0]=4 887 B14R1.75 CC(OC1=CC(=CC=C1)C=O)C(=O)O Z111577188 [0,2,0,0,0,0|2,0,0]=4 888 B14R1.75 CC(OC1=CC(=CC=C1)CO)C(=O)O Z839162766 [0,2,0,0,0,0|2,0,0]=4 889 B14R1.75 COC1=CC(=CC=C1)CC(=O)C(=O)O Z271004522 [0,2,0,0,0,0|1,0,1]=4 890 B14R1.75 COC1=CC(=CC=C1)CC(N)C(=O)O Z317024998 [0,2,0,0,0,0|0,0,0]=2 891 B14R1.75 COC1=CC(=CC=C1)CC(O)C(=O)O Z1255373702 [0,2,0,0,0,0|1,0,0]=3 892 B14R1.153 CC(OC1=C(C(=CC=C1)Cl)Cl)C(=O)O Z65586699 [0,2,0,0,0,0|2,0,0]=4 893 B14R1.153 CC1=CC=CC(=C1C)OC(C)C(=O)O Z228583448 [0,2,0,0,0,0|2,0,0]=4 894 B14R1.542 CC1=CC(=CC=C1)CC(CN)C(=O)O Z1473553886 [0,2,0,0,0,0|0,0,0]=2 895 B14R1.542 CCC(CC1=CC(=CC=C1)Br)C(=O)O Z513660416 [0,2,0,0,0,0|1,0,0]=3 896 B14R1.542 CCC(OC1=CC(=CC=C1)C)C(=O)O Z111782230 [0,2,0,0,0,0|2,0,0]=4 897 B14R1.542 NCC(CC1=CC(=CC=C1)Cl)C(=O)O Z1222278653 [0,2,0,0,0,0|0,0,0]=2 898 B14R1.542 NCC(CC1=CC(=CC=C1)O)C(=O)O Z2690874822 [0,2,0,0,0,0|0,0,0]=2 899 B14R1.4257 CC(OC1=CC(=CC(=C1)Cl)Cl)C(=O)O Z441805172 [0,2,0,0,0,0|2,0,0]=4 900 B14R1.4257 CC1=CC(=CC(=C1)CC(N)C(=O)O)C Z1259273092 [0,2,0,0,0,0|0,0,0]=2 901 B14R1.4257 NC(CC1=CC(=CC(=C1)Cl)Cl)C(=O)O Z1416200972 [0,2,0,0,0,0|0,0,0]=2 902 B14R1.4257 NC1=CC(=CC(=C1)CC(N)C(=O)O)N Z3282761044 [0,2,0,0,0,0|0,0,0]=2 903 B14R1.4257 O=C(O)C(O)CC1=CC(=CC(=C1)Cl)Cl Z1813095346 [0,2,0,0,0,0|1,0,0]=3 904 B14R1.4404 CC(C)(CC1=CC(=CC=C1)Cl)C(=O)O Z995179628 [0,2,0,0,0,0|1,0,0]=3 905 B14R1.4404 CC(C)(OC1=CC(=CC=C1)Br)C(=O)O Z803506418 [0,2,0,0,0,0|2,0,0]=4 906 B14R1.4404 CC(C)(OC1=CC(=CC=C1)Cl)C(=O)O Z274535144 [0,2,0,0,0,0|2,0,0]=4 907 B14R1.4474 CC(SC1=C(C=CC(=C1)Cl)Cl)C(=O)O Z56279684 [0,2,0,0,0,0|2,0,0]=4 908 B14R1.4474 CC1=CC(=C(C=C1)Cl)OC(C)C(=O)O Z228583432 [0,2,0,0,0,0|2,0,0]=4 909 B14R1.4474 NC(CC1=C(C=CC(=C1)Cl)Cl)C(=O)O Z5010675411 [0,2,0,0,0,0|0,0,0]=2 910 B14R1.6391 CC(C1=CC=CC=C1)C(C)(O)C(=O)O Z1313537189 [0,2,0,0,0,0|1,0,0]=3 911 B14R1.6391 CC(O)(C(=O)O)C(N)C1=CC=CC=C1 Z2472856662 [0,2,0,0,0,0|1,0,0]=3 912 B14R1.6391 O=C(O)C(F)(F)C(O)C1=CC=CC=C1 Z982139262 [0,2,0,0,0,0|1,0,0]=3 913 B14R1.550 CC1=C(C=CC=C1)CC(CN)C(=O)O Z1473552195 [0,2,0,0,0,0|0,0,0]=2 914 B14R1.550 CCC(CC1=C(C=CC=C1)Br)C(=O)N Z1409259793 [0,2,0,0,0,0|2,0,0]=4 915 B14R1.550 CCC(CC1=C(C=CC=C1)Br)C(=O)O Z513661534 [0,2,0,0,0,0|1,0,0]=3 916 B14R1.550 CCC(CC1=C(C=CC=C1)C)C(=O)O Z513660864 [0,2,0,0,0,0|1,0,0]=3 917 B14R1.550 CCC(OC1=C(C=CC=C1)C)C(=O)O Z57663835 [0,2,0,0,0,0|2,0,0]=4 918 B14R1.550 CCC(OC1=C(C=CC=C1)Cl)C(=O)O Z96140595 [0,2,0,0,0,0|2,0,0]=4 919 B14R1.550 CCC(OC1=C(C=CC=C1)F)C(=O)O Z96139785 [0,2,0,0,0,0|2,0,0]=4 920 B14R1.550 NCC(CC1=C(C=CC=C1)Cl)C(=O)N Z1147459645 [0,2,0,0,0,0|1,0,0]=3 921 B14R1.550 NCC(CC1=C(C=CC=C1)Cl)C(=O)O Z1222331404 [0,2,0,0,0,0|0,0,0]=2 922 B14R1.3135 CC(OC1=C(C=CC=C1)C#N)C(=O)O Z65592685 [0,2,0,0,0,0|2,0,0]=4 923 B14R1.3135 CCC1=C(C=CC=C1)OC(C)C(=O)O Z398366626 [0,2,0,0,0,0|2,0,0]=4 924 B14R1.3135 COC1=C(C=CC=C1)OC(C)C(=O)O Z57825370 [0,2,0,0,0,0|2,0,0]=4 925 B14R1.3135 NCC1=C(C=CC=C1)CC(N)C(=O)O Z3210773710 [0,2,0,0,0,0|0,0,0]=2 926 B14R1.5882 CC(C)(CC1=C(C=CC=C1)Br)C(=O)O Z995179654 [0,2,0,0,0,0|1,0,0]=3 927 B14R1.5882 CC(N)(CC1=C(C=CC=C1)Br)C(=O)O Z4494019497 [0,2,0,0,0,0|0,0,0]=2 928 B14R1.5882 CC(O)(CN1C=CC=CC1=O)C(=O)O Z1233164908 [0,2,0,0,0,0|2,0,0]=4 929 B14R1.5971 NC(CC1=C(C=CC=C1F)Cl)C(=O)O Z821053942 [0,2,0,0,0,0|0,0,0]=2 930 B14R1.5971 NC(CC1=C(C=NC=C1Cl)Cl)C(=O)O Z3375944966 [0,2,0,0,0,0|1,0,0]=3 931 B14R1.5971 O=C(O)C(O)CC1=C(C=CC=C1F)Cl Z1269030527 [0,2,0,0,0,0|1,0,0]=3 932 B14R1.980 CC(=O)C(CC1=CC=CC=C1)SC#N Z57042034 [0,2,0,0,0,0|1,0,1]=4 933 B14R1.980 CCNC(CC1=CC=CC=C1)C(=O)O Z446012696 [0,2,0,0,0,0|0,0,0]=2 934 B14R1.4513 CC(C)C(CC1=CC=CC=C1)C(=O)O Z756391626 [0,2,0,0,0,0|1,0,0]=3 935 B14R1.4513 CC(C)C(SC1=CC=CC=C1)C(=O)O Z285571456 [0,2,0,0,0,0|2,0,0]=4 936 B14R1.4513 CN(C)C(CC1=CC=CC=C1)C(=O)O Z448003214 [0,2,0,0,0,0|0,0,0]=2 937 B14R1.4513 O=C(O)C(CC1=CC=CC=C1)C(=O)O Z56924540 [0,2,0,0,0,0|1,0,0]=3 938 B14R1.8844 CC(CN)(CC1=CC=CC=C1)C(=O)O Z1255428184 [0,2,0,0,0,0|0,0,0]=2 939 B14R1.8844 CC(CN)(CC1=CC=NC=C1)C(=O)O Z1493030567 [0,2,0,0,0,0|1,0,0]=3 940 B14R1.8844 CC(O)C(C)(CN)CC1=CC=CC=C1 Z1259285438 [0,2,0,0,0,0|1,0,1]=4 941 B12R2.18 CC1C2=C(C=CC=C2)CC1N Z1203580431 [1,0,0,1,0,0|1,0,1]=4 942 B12R2.18 CC1CC2=C(C1=O)C=CC=C2 Z854042930 [1,0,0,1,0,0|1,0,0]=3 943 B12R2.18 C[C@H]1C2=C(C=CC=C2)C[C@H]1N Z2514551594 [1,0,0,1,0,0|1,0,1]=4 944 B12R2.18 NC1CC2=C(C1=O)C=CC=C2 Z1551475987 [1,0,0,1,0,0|0,0,0]=2 945 B12R2.18 NC1CC2=C(C1O)C=CC=C2 Z1431905060 [1,0,0,1,0,0|0,0,1]=3 946 B12R2.18 NN1CC2=C(C1=O)C=CC=C2 Z1953500024 [1,0,0,1,0,0|1,0,0]=3 947 B12R2.18 N[C@@H]1CC2=C([C@H]1O)C=CC=C2 Z2307327484 [1,0,0,1,0,0|0,0,1]=3 948 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1N Z4749736623 [1,0,0,1,0,0|1,0,1]=4 949 B12R2.18 O=C1C2=C(C=CC=C2)CC1Cl Z854067258 [1,0,0,1,0,0|1,0,0]=3 950 B12R2.18 OC1C2=C(C=CC=C2)CC1Br Z104485720 [1,0,0,1,0,0|1,0,1]=4 951 B12R2.18 OC1C2=C(C=CC=C2)CC1F Z1509011291 [1,0,0,1,0,0|1,0,1]=4 952 B12R2.23 NC1CCC1C2=CC=CC=C2 Z1203589614 [1,0,0,1,0,0|1,0,1]=4 953 B12R2.23 N[C@@H]1CC[C@@H]1C2=CC=CC=C2 Z2489138864 [1,0,0,1,0,0|1,0,1]=4 954 B12R2.24 NC1CCC2=C(C1)C=CC=C2 Z992716772 [1,0,0,1,0,0|1,0,1]=4 955 B12R2.24 NC1COC2=C(C1)C=CC=C2 Z415636540 [1,0,0,1,0,0|0,0,1]=3 956 B12R2.24 NC1COC2=C(C1)C=CC=N2 Z4410234846 [1,0,0,1,0,0|1,0,1]=4 957 B12R2.27 O=C[C@@H]1C[C@H]1C2=CC=CC=C2 Z2298064271 [1,0,0,1,0,0|1,0,0]=3 958 B12R2.27 OCC1OC1C2=CC=CC=C2 Z1509054538 [1,0,0,1,0,0|1,0,1]=4 959 B12R2.32 O=CC1=CC2=C(N1)C=CC=C2 Z1203160203 [1,0,0,1,0,0|0,0,2]=4 960 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 Z57114985 [1,0,0,1,0,0|1,0,1]=4 961 B12R2.32 O=CC1CC2=C(C1)C=CC=C2 Z1255436588 [1,0,0,1,0,0|1,0,0]=3 962 B12R2.32 O=CN1CC2=C(C1)C=CC=C2 Z1216818057 [1,0,0,1,0,0|2,0,0]=4 963 B12R2.32 OCC1CC2=C(C1)C=CC=C2 Z1198176601 [1,0,0,1,0,0|1,0,1]=4 964 B12R2.32 OCC1CC2=C(O1)C=CC=C2 Z397587206 [1,0,0,1,0,0|1,0,1]=4 965 B12R2.37 CC1C(C1C2=CC=CC=C2)N Z3596843396 [1,0,0,1,0,0|1,0,1]=4 966 B12R2.94 NC1(CC1)CC2=CC=CC=C2 Z1723549343 [1,0,0,1,0,0|1,0,1]=4 967 B12R2.2058 C1=CC=C(C=C1)CC2CCN2 Z1324054892 [1,0,0,1,0,0|1,0,1]=4 968 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 Z336080338 [1,0,0,1,0,0|1,0,0]=3 969 B12R2.22 O=C1CC(N1)C2=CC=CC=C2 Z367677412 [1,0,0,1,0,0|1,0,0]=3 970 B12R2.22 OC1CC(C1)C2=CC=CC=C2 Z501748204 [1,0,0,1,0,0|1,0,1]=4 971 B12R2.22 O[C@H]1C[C@H](C1)C2=CC=CC=C2 Z1504675336 [1,0,0,1,0,0|1,0,1]=4 972 B12R2.2057 C1=CC=C(C=C1)CCC2CO2 Z1033258586 [1,0,0,1,0,0|1,0,1]=4 973 B12R2.2403 CC1(CCC2=C1C=CC=C2)O Z449370928 [1,0,0,1,0,0|1,0,1]=4 974 B12R2.2403 N=S1(=O)CCC2=C1C=CC=C2 Z2514148544 [1,0,0,1,0,0|2,0,0]=4 975 B12R2.3190 N=C(N)C1CC2=C1C=CC=C2 Z1613477992 [1,0,0,1,0,0|2,0,0]=4 976 B12R2.252 O=C(O)C1CC2=CSC=C2C1 Z1262517243 [0,0,0,1,1,0|2,0,0]=4 977 B12R2.1354 O=C(O)C1CC1C2=CC=CO2 Z359510162 [0,0,0,1,1,0|2,0,0]=4 978 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CC=CO2 Z2242045434 [0,0,0,1,1,0|2,0,0]=4 979 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CSC=C2 Z2683332742 [0,0,0,1,1,0|2,0,0]=4 980 B14R2.19 O=C1CC(CN1)CC2=CC=CC=C2 Z1198235320 [0,0,0,1,0,1|2,0,0]=4 981 B14R2.19 O=C1CCC(N1)CC2=CC=CC=C2 Z1270257271 [0,0,0,1,0,1|2,0,0]=4 982 B14R2.19 O=C1CCC(O1)CC2=CC=CC=C2 Z1342098372 [0,0,0,1,0,1|2,0,0]=4 983 B14R2.19 O=C1NCC(O1)CC2=CC=CC=C2 Z1255419800 [0,0,0,1,0,1|2,0,0]=4 984 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 Z1222283104 [0,0,0,1,0,1|1,0,0]=3 985 B14R2.431 NC1(CC(C1)O)CC2=CC=CC=C2 Z5231797795 [0,0,0,1,0,1|1,0,1]=4 986 B14R2.598 O=C1NC(=O)C(O1)C2=CC=CC=C2 Z1198149953 [0,0,0,1,0,1|1,0,1]=4 987 B14R2.642 CC(=O)N1C2=C(C=CC=C2)CC1C Z27690969 [0,0,0,1,0,1|2,0,0]=4 988 B14R2.764 O=C(O)C1CC1CC2=CC=CC=C2 Z979743464 [0,0,0,1,0,1|1,0,0]=3 989 B14R2.764 O=C(O)[C@@H]1C[C@H]1SC2=CC=CC=C2 Z4550381864 [0,0,0,1,0,1|2,0,0]=4 990 B14R2.768 O=C(O)CC1=CC2=C(C1)C=CC=C2 Z1262511318 [0,0,0,1,0,1|1,0,1]=4 991 B14R2.768 O=C(O)CN1CC2=C(C1)C=CC=C2 Z57335261 [0,0,0,1,0,1|2,0,0]=4 992 B14R2.790 CC(=O)NC1CC1C2=CC=CC=C2 Z826117806 [0,0,0,1,0,1|2,0,0]=4 993 B14R2.4586 CC1C(C1C2=CC=CC=C2)C(=O)O Z1262523517 [0,0,0,1,0,1|1,0,0]=3 994 B14R2.260 O=C1NC(CC1O)C2=CC=CC=C2 Z1509163936 [0,0,0,1,0,1|2,0,0]=4 995 B14R2.741 CC1CNC2=C(C=CC=C2)NC1=O Z57115492 [0,0,0,1,0,1|2,0,0]=4 996 B14R2.741 CC1CSC2=C(C=CC=C2)NC1=O Z1495921309 [0,0,0,1,0,1|2,0,0]=4 997 B14R2.741 CC1NCC2=C(C=CC=C2)NC1=O Z2517204624 [0,0,0,1,0,1|2,0,0]=4 998 B14R2.741 NC1CCC2=C(C=CC=C2)NC1=O Z2489418689 [0,0,0,1,0,1|1,0,0]=3 999 B14R2.741 O=C1NC2=C(C=CC=C2)CCC1O Z2418194280 [0,0,0,1,0,1|2,0,0]=4 1000 B14R2.779 O=C(O)C1CC(C1)C2=CC=CC=C2 Z858585502 [0,0,0,1,0,1|1,0,0]=3 1001 B14R2.781 NC(=O)C1CC2=C(C=CC=C2)CN1 Z85957174 [0,0,0,1,0,1|2,0,0]=4 1002 B14R2.781 NC(=O)C1CCC2=C(N1)C=CC=C2 Z300072128 [0,0,0,1,0,1|1,0,0]=3 1003 B14R2.781 NC(=O)C1CNC2=C(C1)C=CC=C2 Z1029445920 [0,0,0,1,0,1|2,0,0]=4 1004 B14R2.781 NC(=O)C1CNC2=C(O1)C=CC=C2 Z57028529 [0,0,0,1,0,1|2,0,0]=4 1005 B14R2.781 NC(=O)C1COC2=C(C1)C=CC=C2 Z145120114 [0,0,0,1,0,1|2,0,0]=4 1006 B14R2.781 NC(=O)C1COC2=C(O1)C=CC=C2 Z33546222 [0,0,0,1,0,1|2,0,0]=4 1007 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 Z56822177 [0,0,0,1,0,1|1,0,0]=3 1008 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CO1 Z1255464869 [0,0,0,1,0,1|1,0,0]=3 1009 B14R2.781 O=C(O)C1CCC2=C(C1)C=CC=C2 Z792377344 [0,0,0,1,0,1|1,0,0]=3 1010 B14R2.781 O=C(O)C1CCC2=C(N1)C=CC=C2 Z2724443277 [0,0,0,1,0,1|0,0,0]=2 1011 B14R2.781 O=C(O)C1CCC2=C(O1)C=CC=C2 Z1198148530 [0,0,0,1,0,1|1,0,0]=3 1012 B14R2.781 O=C(O)C1CNC2=C(C1)C=CC=C2 Z3241252785 [0,0,0,1,0,1|1,0,0]=3 1013 B14R2.781 O=C(O)C1CNC2=C(O1)C=CC=C2 Z90669210 [0,0,0,1,0,1|1,0,0]=3 1014 B14R2.781 O=C(O)C1COC2=C(O1)C=CC=C2 Z56839652 [0,0,0,1,0,1|1,0,0]=3 1015 B14R2.781 O=C(O)C1CSC2=C(O1)C=CC=C2 Z916847046 [0,0,0,1,0,1|1,0,0]=3 1016 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 Z762926698 [0,0,0,1,0,1|1,0,0]=3 1017 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 Z359370254 [0,0,0,1,0,1|1,0,0]=3 1018 B14R2.786 C[C@@]1(C[C@@H]1C2=CC=CC=C2)C(=O)O Z2298158000 [0,0,0,1,0,1|1,0,0]=3 1019 B14R2.9535 CC1(CCC2=C1C=CC=C2)C(=O)O Z1259317290 [0,0,0,1,0,1|1,0,0]=3 1020 B14R2.9535 NC1(CCC2=C1C=CC=C2)C(=O)O Z234896489 [0,0,0,1,0,1|0,0,0]=2 1021 B14R2.4400 CC1=CC=C(C=C1)C2NC(=O)C2C Z1273099352 [0,1,0,1,0,0|2,0,0]=4 1022 B14R2.4402 CC(=O)C1CC1C2=CC=C(C=C2)F Z370707900 [0,1,0,1,0,0|2,0,0]=4 1023 B14R2.4402 CC1=CC=C(C=C1)C2CC2C(=O)O Z450468392 [0,1,0,1,0,0|1,0,0]=3 1024 B14R2.4402 NC1=CC=C(C=C1)[C@@H]2C[C@H]2C(=O)O Z2309896677 [0,1,0,1,0,0|1,0,0]=3 1025 B14R2.4402 O=C(O)C1CC1C2=CC=C(C=C2)Br Z450468406 [0,1,0,1,0,0|1,0,0]=3 1026 B14R2.4402 O=C(O)C1CC1C2=CC=C(C=C2)F Z203244232 [0,1,0,1,0,0|1,0,0]=3 1027 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(C=C2)Cl Z2306910175 [0,1,0,1,0,0|1,0,0]=3 1028 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(C=C2)F Z2327124588 [0,1,0,1,0,0|1,0,0]=3 1029 B14R2.4529 CC1=CC2=C(C=C1)C=C(N2)C(=O)O Z119989628 [0,1,0,1,0,0|0,0,2]=4 1030 B14R2.4529 CC1=CC2=C(C=C1)CC(S2)C(=O)O Z223677100 [0,1,0,1,0,0|1,0,0]=3 1031 B14R2.4529 CC1=CC2=C(C=C1)NC(=C2)C(=O)O Z235352033 [0,1,0,1,0,0|0,0,2]=4 1032 B14R2.4529 NC(=O)C1CC2=C(O1)C=CC(=C2)N Z4762517556 [0,1,0,1,0,0|2,0,0]=4 1033 B14R2.4529 NC1=CC2=C(C=C1)NC(=C2)C(=O)O Z1198179704 [0,1,0,1,0,0|0,0,2]=4 1034 B14R2.4529 NC1=CC2=C(C=C1)NC(C2)C(=O)O Z3325140518 [0,1,0,1,0,0|0,0,0]=2 1035 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Br Z119989542 [0,1,0,1,0,0|0,0,2]=4 1036 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Cl Z119990438 [0,1,0,1,0,0|0,0,2]=4 1037 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)F Z119989546 [0,1,0,1,0,0|0,0,2]=4 1038 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)I Z1269156950 [0,1,0,1,0,0|0,0,2]=4 1039 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)Br Z285234024 [0,1,0,1,0,0|0,0,2]=4 1040 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)Cl Z235363065 [0,1,0,1,0,0|0,0,2]=4 1041 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)F Z235348085 [0,1,0,1,0,0|0,0,2]=4 1042 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)I Z1269156688 [0,1,0,1,0,0|0,0,2]=4 1043 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)O Z2894427530 [0,1,0,1,0,0|0,0,2]=4 1044 B14R2.4529 O=C(O)C1CC2=C(C1)C=C(C=C2)F Z1262528526 [0,1,0,1,0,0|1,0,0]=3 1045 B14R2.4529 O=C(O)C1CC2=C(C1)N=CC(=C2)Br Z3301448719 [0,1,0,1,0,0|2,0,0]=4 1046 B14R2.4529 O=C(O)C1CC2=C(O1)C=C(C=C2)Br Z2751941707 [0,1,0,1,0,0|1,0,0]=3 1047 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)Br Z1269223909 [0,1,0,1,0,0|1,0,0]=3 1048 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)Cl Z104341198 [0,1,0,1,0,0|1,0,0]=3 1049 B14R2.8239 NC1CC2=C(C=C(C=C2)Br)NC1=O Z2651689853 [0,1,0,1,0,0|1,0,0]=3 1050 B14R2.8239 NC1CC2=C(N=CC(=C2)Br)NC1=O Z2895166305 [0,1,0,1,0,0|2,0,0]=4 1051 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 Z813018324 [0,1,0,1,0,0|2,0,0]=4 1052 B14R2.30 O=C1CNCN1CC2=CC=CC=C2 Z1551463562 [0,1,0,1,0,0|2,0,0]=4 1053 B14R2.30 O=C1NCCC1CC2=CC=CC=C2 Z1255435851 [0,1,0,1,0,0|2,0,0]=4 1054 B14R2.30 O[C@@H]1CCN[C@@H]1CC2=CC=CC=C2 Z4966451600 [0,1,0,1,0,0|1,0,1]=4 1055 B14R2.30 O[C@@H]1CNC[C@H]1CC2=CC=CC=C2 Z2568680766 [0,1,0,1,0,0|1,0,1]=4 1056 B14R2.447 CN1C(=O)C(C1C2=CC=CC=C2)Cl Z1716393584 [0,1,0,1,0,0|2,0,0]=4 1057 B14R2.958 COC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2327124590 [0,1,0,1,0,0|1,0,0]=3 1058 B14R2.958 COC(=O)[C@@H]1C[C@H]1C2=NC=CC=C2 Z2309887439 [0,1,0,1,0,0|2,0,0]=4 1059 B14R2.972 CNC(=O)C1CC2=C(N1)C=CC=C2 Z1955976291 [0,1,0,1,0,0|1,0,0]=3 1060 B14R2.972 CNC(=O)C1CC2=C(O1)C=CC=C2 Z183857728 [0,1,0,1,0,0|2,0,0]=4 1061 B14R2.972 CNC(=O)C1CC2=C(S1)C=CC=C2 Z224746438 [0,1,0,1,0,0|2,0,0]=4 1062 B14R2.972 COC(=O)C1=CC2=C(N1)C=CC=C2 Z17755623 [0,1,0,1,0,0|0,0,2]=4 1063 B14R2.972 COC(=O)C1=NC2=C(N1)C=CC=C2 Z276956278 [0,1,0,1,0,0|1,0,1]=4 1064 B14R2.972 NNC(=O)C1CC2=C(O1)C=CC=C2 Z108678490 [0,1,0,1,0,0|2,0,0]=4 1065 B14R2.1128 NCC1=CC2=C(C=CC=C2)OC1=O Z2887893443 [0,1,0,1,0,0|0,0,2]=4 1066 B14R2.1128 NCC1CC2=C(C=CC=C2)NC1=O Z1575304396 [0,1,0,1,0,0|1,0,0]=3 1067 B14R2.1128 O=C1OC2=C(C=CC=C2)N=C1NO Z969560574 [0,1,0,1,0,0|1,0,1]=4 1068 B14R2.8188 CN1C(=O)C(CC2=C1C=CC=C2)N Z2507870671 [0,1,0,1,0,0|1,0,0]=3 1069 B14R2.8188 NN1C(=O)OC2=C(C1=O)C=CC=C2 Z203888386 [0,1,0,1,0,0|1,0,1]=4 1070 B14R2.8188 N[C@H]1CC2=C(C=CC=C2)N(C1=O)O Z1198729370 [0,1,0,1,0,0|0,0,0]=2 1071 B14R2.4473 CC1=CC=CC(=C1)C2NC(=O)C2C Z2065766482 [0,1,0,1,0,0|2,0,0]=4 1072 B14R2.4476 CC1=CC(=CC=C1)[C@@H]2C[C@H]2C(=O)O Z2306910179 [0,1,0,1,0,0|1,0,0]=3 1073 B14R2.4476 O=C(O)C1CC1C2=CC(=CC=C2)O Z1216651566 [0,1,0,1,0,0|1,0,0]=3 1074 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC=C2)Br Z2251736248 [0,1,0,1,0,0|1,0,0]=3 1075 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC=C2)Cl Z2250620212 [0,1,0,1,0,0|1,0,0]=3 1076 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC=C2)F Z2309887928 [0,1,0,1,0,0|1,0,0]=3 1077 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC(=CC=C2)O Z1262554401 [0,1,0,1,0,0|1,0,0]=3 1078 B14R2.7969 CC1=C2C=C(NC2=CC=C1)C(=O)O Z119989626 [0,1,0,1,0,0|0,0,2]=4 1079 B14R2.7969 CC1=C2CC(NC2=CC=C1)C(=O)O Z2695869272 [0,1,0,1,0,0|0,0,0]=2 1080 B14R2.7969 CC1=C2CC(OC2=CC=C1)C(=O)O Z1262544184 [0,1,0,1,0,0|1,0,0]=3 1081 B14R2.7969 CC1=C2NC(=CC2=CC=C1)C(=O)O Z285234008 [0,1,0,1,0,0|0,0,2]=4 1082 B14R2.7969 CC1=C2OC(CC2=CC=C1)C(=O)O Z1262521699 [0,1,0,1,0,0|1,0,0]=3 1083 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)Br Z431558930 [0,1,0,1,0,0|0,0,2]=4 1084 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)F Z285234022 [0,1,0,1,0,0|0,0,2]=4 1085 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)O Z1201622528 [0,1,0,1,0,0|0,0,2]=4 1086 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2Cl Z119989536 [0,1,0,1,0,0|0,0,2]=4 1087 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2F Z119989618 [0,1,0,1,0,0|0,0,2]=4 1088 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2I Z1269151806 [0,1,0,1,0,0|0,0,2]=4 1089 B14R2.7969 O=C(O)C1CC2=C(C=CC=C2O1)F Z1813140041 [0,1,0,1,0,0|1,0,0]=3 1090 B14R2.7969 O=C(O)C1CC2=C(C=CC=C2S1)F Z228589552 [0,1,0,1,0,0|1,0,0]=3 1091 B14R2.7969 O=C(O)C1CC2=C(O1)C(=CC=C2)F Z1259128059 [0,1,0,1,0,0|1,0,0]=3 1092 B14R2.450 CC1C2=C(C=CC=C2)CC1C(=O)O Z1262514802 [0,1,0,1,0,0|1,0,0]=3 1093 B14R2.450 CC1C2=C(C=CC=C2)OC1C(=O)O Z372839354 [0,1,0,1,0,0|1,0,0]=3 1094 B14R2.450 CN1C(=CC2=C1C=CC=C2)C(=O)O Z57204959 [0,1,0,1,0,0|0,0,2]=4 1095 B14R2.450 C[C@H]1C2=C(C=CC=C2)O[C@H]1C(=O)O Z4517782541 [0,1,0,1,0,0|1,0,0]=3 1096 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)Br Z56796061 [0,1,0,1,0,0|0,0,2]=4 1097 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)Cl Z366436672 [0,1,0,1,0,0|0,0,2]=4 1098 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)I Z1269193943 [0,1,0,1,0,0|0,0,2]=4 1099 B14R2.450 O=C(O)C1=CC2=C(C1O)C=CC=C2 Z1262524053 [0,1,0,1,0,0|1,0,1]=4 1100 B14R2.780 O=C(O)[C@@H]1NC[C@H]1C2=CC=CC=C2 Z3026488112 [0,1,0,1,0,0|0,0,0]=2 1101 B14R2.9520 CC1(CC1C(=O)O)C2=CC=CC=C2 Z979743476 [0,1,0,1,0,0|1,0,0]=3 1102 B14R2.9520 NC(=O)C1CC1(F)C2=CC=CC=C2 Z1262684484 [0,1,0,1,0,0|2,0,0]=4 1103 B14R2.639 CC1(CC2=C(C=CC=C2)NC1=O)C Z1258981363 [0,1,0,1,0,0|2,0,0]=4 1104 B14R2.789 CC1(CC2=C(C1)C=CC=C2)C(=O)O Z1259317000 [0,1,0,1,0,0|1,0,0]=3 1105 B14R2.789 NC(=O)C1(CC2=C(C1)C=CC=C2)N Z1268152424 [0,1,0,1,0,0|1,0,0]=3 1106 B14R2.789 NC(=O)C1(CC2=C(C1)C=CC=C2)O Z965049106 [0,1,0,1,0,0|2,0,0]=4 1107 B14R2.789 NC1(CC2=C(C1)C=CC=C2)C(=O)O Z336080064 [0,1,0,1,0,0|0,0,0]=2 1108 B14R2.5443 CC(=O)C1CC1C2=C(C=CC=C2)Cl Z370707882 [0,1,0,1,0,0|2,0,0]=4 1109 B14R2.5443 CC1=C(C=CC=C1)[C@@H]2C[C@H]2C(=O)O Z2306910181 [0,1,0,1,0,0|1,0,0]=3 1110 B14R2.5443 CC1=C(C=NC=C1)[C@@H]2C[C@H]2C(=O)O Z3271406801 [0,1,0,1,0,0|2,0,0]=4 1111 B14R2.5443 O=C(O)C1CC1C2=C(C=CC=C2)Br Z450468456 [0,1,0,1,0,0|1,0,0]=3 1112 B14R2.5443 O=C(O)C1CC1C2=C(C=CC=C2)F Z203244240 [0,1,0,1,0,0|1,0,0]=3 1113 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC=C2)Br Z2242045651 [0,1,0,1,0,0|1,0,0]=3 1114 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC=C2)Cl Z2235816073 [0,1,0,1,0,0|1,0,0]=3 1115 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC=C2)F Z2247955070 [0,1,0,1,0,0|1,0,0]=3 1116 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(C=NC=C2)F Z3271403154 [0,1,0,1,0,0|2,0,0]=4 1117 B14R2.788 O=C(O)C1(CC1)CC2=CC=CC=C2 Z1255403792 [0,1,0,1,0,0|1,0,0]=3 1118 B14R2.788 O=C(O)C1(CC1)CC2=CN=CC=C2 Z2738556356 [0,1,0,1,0,0|2,0,0]=4 1119 B14R2.788 O=C(O)C1(CC1)NC2=CC=CC=C2 Z1262549981 [0,1,0,1,0,0|2,0,0]=4 1120 B14R2.788 O=C(O)C1(CC1)OC2=CC=CC=C2 Z1262536690 [0,1,0,1,0,0|2,0,0]=4 1121 B14R3.630 O=C1N[C@@H]2[C@H]1CC3=C2C=CC=C3 Z2306832334 [0,0,0,2,0,0|2,0,0]=4 1122 B14R3.697 O=C1OC2=C(C=CC=C2)C3C1O3 Z3847441191 [0,0,0,2,0,0|1,0,0]=3 1123 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [1,0,0,0,1,0|2,0,0]=4 1124 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [1,0,0,0,1,0|1,0,0]=3 1125 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [1,0,0,0,1,0|1,0,1]=4 1126 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 Z56827052 [1,0,0,0,1,0|1,0,1]=4 1127 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [1,0,0,0,1,0|0,0,1]=3 1128 B10R1.15 NC(CO)C1=CN=CC=C1 Z2350903961 [1,0,0,0,1,0|1,0,1]=4 1129 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [1,0,0,0,1,0|1,0,1]=4 1130 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [1,0,0,0,1,0|0,0,1]=3 1131 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [1,0,0,0,1,0|0,0,1]=3 1132 B10R1.15 O=CC(=O)C1=CC=CC=C1 Z1954804411 [1,0,0,0,1,0|1,0,1]=4 1133 B10R1.66 CC(=O)CCC1=CSC=C1 Z444869186 [1,0,0,0,1,0|2,0,0]=4 1134 B10R1.66 O=C(O)CCC1=CC=CS1 Z57052863 [1,0,0,0,1,0|1,0,0]=3 1135 B10R1.66 O=C(O)CCC1=CC=NN1 Z3063833168 [1,0,0,0,1,0|2,0,0]=4 1136 B10R1.66 O=C(O)CCC1=CN=CO1 Z1255388483 [1,0,0,0,1,0|2,0,0]=4 1137 B10R1.66 O=C(O)CCC1=CNC=N1 Z1770193418 [1,0,0,0,1,0|2,0,0]=4 1138 B10R1.66 O=C(O)CCC1=CNN=C1 Z2251841401 [1,0,0,0,1,0|2,0,0]=4 1139 B10R1.66 O=C(O)CCC1=COC=C1 Z1098234501 [1,0,0,0,1,0|1,0,0]=3 1140 B10R1.66 O=C(O)CCC1=CON=C1 Z1205656268 [1,0,0,0,1,0|2,0,0]=4 1141 B10R1.66 O=C(O)CCC1=CSC=C1 Z85923469 [1,0,0,0,1,0|1,0,0]=3 1142 B10R1.66 O=C(O)CCC1=CSC=N1 Z381407422 [1,0,0,0,1,0|2,0,0]=4 1143 B10R1.66 O=C(O)CCC1=NC=CN1 Z1913661002 [1,0,0,0,1,0|2,0,0]=4 1144 B10R1.66 O=C(O)CCC1=NC=CS1 Z381407426 [1,0,0,0,1,0|2,0,0]=4 1145 B10R1.66 O=C(O)CCC1=NOC=C1 Z1198279853 [1,0,0,0,1,0|2,0,0]=4 1146 B10R1.66 O=C(O)CCN1C=CC=C1 Z245326706 [1,0,0,0,1,0|1,0,0]=3 1147 B10R1.66 O=C(O)CCN1C=CC=N1 Z220346786 [1,0,0,0,1,0|2,0,0]=4 1148 B10R1.66 O=C(O)CCN1C=CN=C1 Z53111117 [1,0,0,0,1,0|2,0,0]=4 1149 B10R1.66 O=C(O)COC1=CSC=C1 Z1262541445 [1,0,0,0,1,0|2,0,0]=4 1150 B10R1.23 CC(C(=O)O)C1=CC=CO1 Z792377294 [0,0,0,0,2,0|2,0,0]=4 1151 B10R1.23 CC(C(=O)O)C1=CSC=C1 Z954552432 [0,0,0,0,2,0|2,0,0]=4 1152 B10R1.23 CC(C(=O)O)N1C=CC=C1 Z223656256 [0,0,0,0,2,0|2,0,0]=4 1153 B10R1.23 NC(C(=O)O)C1=CC=CS1 Z803154920 [0,0,0,0,2,0|1,0,0]=3 1154 B10R1.23 NC(C(=O)O)C1=CSC=C1 Z1696871277 [0,0,0,0,2,0|1,0,0]=3 1155 B10R1.23 NC(C(=O)O)C1=CSC=N1 Z3699161008 [0,0,0,0,2,0|2,0,0]=4 1156 B10R1.23 O=C(O)C(O)C1=CSC=C1 Z788000616 [0,0,0,0,2,0|2,0,0]=4 1157 B12R1.252 CC(=O)CCCC1=CN=CC=C1 Z1255405032 [1,0,0,0,0,1|2,0,0]=4 1158 B12R1.252 CC(=O)NCCC1=CC=CC=C1 Z27761567 [1,0,0,0,0,1|1,0,0]=3 1159 B12R1.252 CC(=O)NCCC1=CC=NC=C1 Z1198165525 [1,0,0,0,0,1|2,0,0]=4 1160 B12R1.252 CC(=O)NCCC1=NC=CC=C1 Z32445986 [1,0,0,0,0,1|2,0,0]=4 1161 B12R1.252 CC(=O)NNCC1=CC=CC=C1 Z1726022904 [1,0,0,0,0,1|2,0,0]=4 1162 B12R1.252 CC(O)CNCC1=CC=CC=C1 Z57326978 [1,0,0,0,0,1|1,0,1]=4 1163 B12R1.252 N=C(N)COCC1=CC=CC=C1 Z2574925846 [1,0,0,0,0,1|2,0,0]=4 1164 B12R1.252 N=C(N)CSCC1=CC=CC=C1 Z1795818268 [1,0,0,0,0,1|2,0,0]=4 1165 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [1,0,0,0,0,1|1,0,0]=3 1166 B12R1.252 NC(=O)CCOC1=CC=CC=C1 Z33545291 [1,0,0,0,0,1|1,0,0]=3 1167 B12R1.252 NC(=O)CCSC1=CC=CC=C1 Z33547211 [1,0,0,0,0,1|1,0,0]=3 1168 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [1,0,0,0,0,1|1,0,0]=3 1169 B12R1.252 NC(=O)CNCC1=CN=CC=C1 Z1695669950 [1,0,0,0,0,1|2,0,0]=4 1170 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [1,0,0,0,0,1|1,0,0]=3 1171 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [1,0,0,0,0,1|1,0,0]=3 1172 B12R1.252 NC(=O)NCCC1=CN=CC=C1 Z432778234 [1,0,0,0,0,1|2,0,0]=4 1173 B12R1.252 NC(=O)NCCC1=NC=CC=C1 Z198194814 [1,0,0,0,0,1|2,0,0]=4 1174 B12R1.252 NC(=O)NOCC1=CC=CC=C1 Z56787772 [1,0,0,0,0,1|2,0,0]=4 1175 B12R1.252 NC(=S)NCCC1=CC=CC=C1 Z56933803 [1,0,0,0,0,1|1,1,0]=4 1176 B12R1.252 O=C(O)/C=C/SC1=CC=CC=C1 Z104378002 [1,0,0,0,0,1|0,0,2]=4 1177 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 Z976639296 [1,0,0,0,0,1|0,0,1]=3 1178 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [1,0,0,0,0,1|0,0,0]=2 1179 B12R1.252 O=C(O)CCCC1=CC=NC=C1 Z2106608658 [1,0,0,0,0,1|1,0,0]=3 1180 B12R1.252 O=C(O)CCCC1=NC=CC=C1 Z1259273117 [1,0,0,0,0,1|1,0,0]=3 1181 B12R1.252 O=C(O)CCCC1=NC=CN=C1 Z1262554933 [1,0,0,0,0,1|2,0,0]=4 1182 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [1,0,0,0,0,1|0,0,0]=2 1183 B12R1.252 O=C(O)CCNC1=NC=CC=C1 Z285820166 [1,0,0,0,0,1|1,0,0]=3 1184 B12R1.252 O=C(O)CCNC1=NC=CC=N1 Z246310120 [1,0,0,0,0,1|2,0,0]=4 1185 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [1,0,0,0,0,1|0,0,0]=2 1186 B12R1.252 O=C(O)CCOC1=CN=CC=C1 Z336080826 [1,0,0,0,0,1|1,0,0]=3 1187 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [1,0,0,0,0,1|0,0,0]=2 1188 B12R1.252 O=C(O)CCSC1=NC=CC=C1 Z102927312 [1,0,0,0,0,1|1,0,0]=3 1189 B12R1.252 O=C(O)CCSC1=NC=CC=N1 Z102922408 [1,0,0,0,0,1|2,0,0]=4 1190 B12R1.252 O=C(O)CNCC1=CN=CC=C1 Z372854000 [1,0,0,0,0,1|1,0,0]=3 1191 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z1259041052 [1,0,0,0,0,1|1,0,0]=3 1192 B12R1.252 O=C(O)COCC1=CC=NC=C1 Z1262561205 [1,0,0,0,0,1|1,0,0]=3 1193 B12R1.252 O=C(O)COCC1=CN=CC=C1 Z1262555665 [1,0,0,0,0,1|1,0,0]=3 1194 B12R1.252 O=C(O)COCC1=NC=CC=C1 Z1262528420 [1,0,0,0,0,1|1,0,0]=3 1195 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [1,0,0,0,0,1|0,0,0]=2 1196 B12R1.252 O=C(O)CSCC1=CC=NC=C1 Z228589362 [1,0,0,0,0,1|1,0,0]=3 1197 B12R1.252 O=C(O)CSCC1=CN=CC=C1 Z228589228 [1,0,0,0,0,1|1,0,0]=3 1198 B12R1.252 O=C(O)CSCC1=NC=CC=C1 Z228589018 [1,0,0,0,0,1|1,0,0]=3 1199 B14R1.423 CC(CC1=CC=CC=C1)NCC(=O)O Z2235792090 [0,0,0,0,0,2|1,0,0]=3 1200 B14R1.423 NC(=O)OCC(N)CC1=CC=CC=C1 Z1509064544 [0,0,0,0,0,2|1,0,0]=3 1201 B14R1.423 NC(CC1=CC=CC=C1)NCC(=O)O Z57032609 [0,0,0,0,0,2|0,0,0]=2 1202 B14R1.423 NC(CCC(=O)O)CC1=CC=CC=C1 Z1642061385 [0,0,0,0,0,2|0,0,0]=2 1203 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 Z56963417 [0,0,0,0,0,2|1,0,1]=4 1204 B14R1.818 C/C(=C\C(=O)O)/CCC1=CC=CC=C1 Z352748426 [0,0,0,0,0,2|1,0,1]=4 1205 B14R1.818 CC(CC(=O)N)NCC1=CC=CC=C1 Z90503215 [0,0,0,0,0,2|2,0,0]=4 1206 B14R1.818 CC(CCC1=CC=CC=C1)CC(=O)O Z352782432 [0,0,0,0,0,2|1,0,0]=3 1207 B14R1.818 CN(CCC1=CC=CC=C1)CC(=O)O Z1459897052 [0,0,0,0,0,2|2,0,0]=4 1208 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O Z2832013470 [0,0,0,0,0,2|0,0,0]=2 1209 B14R1.6449 CC(CCOC1=CC=CC=C1)C(=O)O Z839123502 [0,0,0,0,0,2|1,0,0]=3 1210 B14R1.6449 CC(CNCC1=CC=CC=C1)C(=O)O Z1762658341 [0,0,0,0,0,2|1,0,0]=3 1211 B14R1.6449 CC(COCC1=CC=CC=C1)C(=O)O Z431541082 [0,0,0,0,0,2|1,0,0]=3 1212 B14R1.6449 CC(CSCC1=CC=CC=C1)C(=O)O Z431541728 [0,0,0,0,0,2|1,0,0]=3 1213 B14R1.6449 CC(CSCC1=CN=CC=C1)C(=O)O Z1251190240 [0,0,0,0,0,2|2,0,0]=4 1214 B14R1.6449 CC(SCCC1=CC=CC=C1)C(=O)N Z1486300646 [0,0,0,0,0,2|2,0,0]=4 1215 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O Z1259335833 [0,0,0,0,0,2|0,0,0]=2 1216 B14R1.6449 NC(CCSC1=CC=CC=C1)C(=O)O Z1080372958 [0,0,0,0,0,2|0,0,0]=2 1217 B14R1.6449 NC(CNCC1=CC=CC=C1)C(=O)O Z1945696031 [0,0,0,0,0,2|0,0,0]=2 1218 B14R1.6449 N[C@@H](CCOC1=CC=CC=C1)C(=O)O Z1262524421 [0,0,0,0,0,2|0,0,0]=2 1219 B14R1.6449 O=C(O)C(O)CCCC1=CC=CC=C1 Z1262514933 [0,0,0,0,0,2|1,0,0]=3