0 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O Z2980228149 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.43 C/C(=C\C1=CC=NC=C1)/C(=O)O Z2466682039 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.43 C/C(=C\C1=CN=CC=C1)/C(=O)O Z2467131746 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.43 C/C(=C\C1=NC=CC=C1)/C(=O)O Z2467234655 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [0,0,0,0,0,0|2,0,1]=3 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(C)C(=O)NC1=CC=CC=C1 Z27782614 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [0,0,0,0,0,0|1,0,1]=2 8 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Z3477804988 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.43 CC(Cl)C(=O)CC1=CC=CC=C1 Z558478664 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 Z56921786 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.43 CC(N)C(=O)CC1=CC=CC=C1 Z1262640515 [0,0,0,0,0,0|2,0,1]=3 12 B12R1.43 CC(N)C(=O)NC1=CC=CC=C1 Z1266933914 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.43 CC(O)C(=O)NC1=CC=CC=C1 Z212044362 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.43 CC(OC1=CN=CC=C1)C(=O)O Z336080820 [0,0,0,0,0,0|3,0,1]=4 17 B12R1.43 CC(OC1=NC=CC=C1)C(=O)O Z360507460 [0,0,0,0,0,0|3,0,1]=4 18 B12R1.43 CC(SC1=CC=CC=C1)C(=O)N Z19751098 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [0,0,0,0,0,0|2,0,1]=3 20 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O Z31250551 [0,0,0,0,0,0|3,0,1]=4 21 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 Z55293723 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.43 CN(CC1=CC=CC=C1)C(=O)N Z198194348 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N Z228582754 [0,0,0,0,0,0|3,1,0]=4 24 B12R1.43 CN(CC1=NC=CC=C1)C(=O)N Z431977624 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.43 CN(N)C(=O)NC1=CC=CC=C1 Z56855649 [0,0,0,0,0,0|4,0,0]=4 26 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [0,0,0,0,0,0|1,0,1]=2 27 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [0,0,0,0,0,0|2,0,1]=3 28 B12R1.43 NC(=O)C(N)CC1=NC=CC=C1 Z4981909244 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [0,0,0,0,0,0|2,0,1]=3 30 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [0,0,0,0,0,0|2,0,1]=3 31 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [0,0,0,0,0,0|1,0,1]=2 32 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [0,0,0,0,0,0|2,0,1]=3 33 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [0,0,0,0,0,0|2,0,1]=3 34 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O Z3697694105 [0,0,0,0,0,0|3,0,1]=4 35 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [0,0,0,0,0,0|2,0,1]=3 36 B12R1.43 NC(CC1=NC=CC=N1)C(=O)O Z2432992279 [0,0,0,0,0,0|3,0,1]=4 37 B12R1.43 NC(CC1=NC=NC=C1)C(=O)O Z2470415568 [0,0,0,0,0,0|3,0,1]=4 38 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [0,0,0,0,0,0|1,0,1]=2 39 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [0,0,0,0,0,0|1,0,1]=2 40 B12R1.43 O=C(O)/C(=C/C1=CN=CC=C1)/F Z2081677235 [0,0,0,0,0,0|2,0,1]=3 41 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [0,0,0,0,0,0|0,0,0]=0 42 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 Z362848468 [0,0,0,0,0,0|1,0,0]=1 43 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [0,0,0,0,0,0|0,0,2]=2 44 B12R1.43 O=C(O)C(O)CC1=NC=CC=C1 Z3486862716 [0,0,0,0,0,0|1,0,2]=3 45 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [0,0,0,0,0,0|0,0,2]=2 46 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [0,0,0,0,0,0|0,0,2]=2 47 B11R1.40 C#CC(=O)CC1=CC=CC=C1 Z1266856334 [1,0,0,0,0,0|1,0,1]=3 48 B11R1.40 C/C(=C\C1=CC=CC=C1)/C=O Z3219847417 [1,0,0,0,0,0|1,0,1]=3 49 B11R1.40 C=CC(=O)NC1=CC=CC=C1 Z440633536 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.40 C=CC(=O)NC1=CN=CC=C1 Z440633590 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.40 C=CC(=O)NC1=NC=CC=C1 Z440633578 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [1,0,0,0,0,0|1,0,1]=3 53 B11R1.40 CCC(=O)CC1=CN=CC=C1 Z992407884 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.40 CN(CC1=CC=CC=C1)N=O Z1198147495 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.40 CNC(=O)NC1=CC=CC=C1 Z55293754 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.40 COC(=O)CC1=CC=NC=C1 Z331473808 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.40 COC(=O)CC1=NC=CC=C1 Z147652450 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.40 N/C(=N\O)/CC1=NC=CC=C1 Z285132826 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [1,0,0,0,0,0|1,0,2]=4 60 B11R1.40 NCC(=O)CC1=CC=CC=C1 Z1569708978 [1,0,0,0,0,0|1,0,1]=3 61 B11R1.40 NCC(=O)NC1=CC=CC=C1 Z594413794 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.40 NNC(=O)CC1=CC=CC=C1 Z56867310 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 Z90123523 [1,0,0,0,0,0|3,0,0]=4 64 B11R1.40 NNC(=O)NC1=CC=CC=C1 Z56855648 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [1,0,0,0,0,0|1,0,2]=4 66 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [1,0,0,0,0,0|1,0,2]=4 67 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Z164706024 [1,0,0,0,0,0|1,0,1]=3 68 B11R1.40 O=C(CCl)NC1=CC=CC=C1 Z56889119 [1,0,0,0,0,0|2,0,1]=4 69 B11R1.40 O=C(CO)NC1=CC=CC=C1 Z228585444 [1,0,0,0,0,0|1,0,1]=3 70 B11R1.40 O=C/C(=C/C1=CC=CC=C1)/Br Z2312942099 [1,0,0,0,0,0|1,0,1]=3 71 B11R1.40 O=C/C(=C/C1=CC=CC=C1)/Cl Z104475950 [1,0,0,0,0,0|1,0,1]=3 72 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 Z2582847786 [1,0,0,0,0,0|1,0,1]=3 73 B11R1.91 CC(=O)/C=C/C1=NC=CC=C1 Z2004564056 [1,0,0,0,0,0|2,0,1]=4 74 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [1,0,0,0,0,0|2,0,1]=4 75 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.91 CC(=O)NCC1=NC=CC=C1 Z324553036 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.91 CC(=O)NNC1=CC=CC=C1 Z27767717 [1,0,0,0,0,0|3,0,0]=4 78 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [1,0,0,0,0,0|2,0,1]=4 80 B11R1.91 N=C(N)SCC1=CC=CC=C1 Z89242849 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.91 NC(=O)/C=C/C1=CN=CC=C1 Z284112150 [1,0,0,0,0,0|2,0,1]=4 82 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [1,0,0,0,0,0|1,0,1]=3 83 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [1,0,0,0,0,0|2,0,1]=4 84 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [1,0,0,0,0,0|2,0,1]=4 85 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [1,0,0,0,0,0|2,0,1]=4 86 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [1,0,0,0,0,0|2,0,1]=4 87 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.91 NC(=O)NCC1=CC=NC=C1 Z198194796 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.91 NC(=O)NCC1=CN=CC=C1 Z57664442 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.91 NC(=O)NCC1=NC=CC=C1 Z198194794 [1,0,0,0,0,0|3,0,0]=4 91 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [1,0,0,0,0,0|2,0,0]=3 92 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [1,0,0,0,0,0|1,1,1]=4 93 B11R1.91 NC(=S)NCC1=CC=CC=C1 Z56900892 [1,0,0,0,0,0|2,1,0]=4 94 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [1,0,0,0,0,0|0,0,1]=2 95 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 Z2315575398 [1,0,0,0,0,0|1,0,1]=3 96 B11R1.91 O=C(O)/C=C/C1=CN=CC=C1 Z2315575379 [1,0,0,0,0,0|1,0,1]=3 97 B11R1.91 O=C(O)/C=C/C1=NC=CC=C1 Z57069085 [1,0,0,0,0,0|1,0,1]=3 98 B11R1.91 O=C(O)/C=C/C1=NC=CN=C1 Z445220894 [1,0,0,0,0,0|2,0,1]=4 99 B11R1.91 O=C(O)/C=C/C1=NC=NC=C1 Z1184882069 [1,0,0,0,0,0|2,0,1]=4 100 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [1,0,0,0,0,0|0,0,2]=3 101 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [1,0,0,0,0,0|0,0,1]=2 102 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [1,0,0,0,0,0|1,0,1]=3 103 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [1,0,0,0,0,0|1,0,1]=3 104 B11R1.91 O=C(O)CCC1=CN=CN=C1 Z1198279878 [1,0,0,0,0,0|2,0,1]=4 105 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [1,0,0,0,0,0|1,0,1]=3 106 B11R1.91 O=C(O)CCC1=NC=CC=N1 Z1255372831 [1,0,0,0,0,0|2,0,1]=4 107 B11R1.91 O=C(O)CCC1=NC=CN=C1 Z1198184629 [1,0,0,0,0,0|2,0,1]=4 108 B11R1.91 O=C(O)CCC1=NC=NC=C1 Z1184882132 [1,0,0,0,0,0|2,0,1]=4 109 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [1,0,0,0,0,0|1,0,1]=3 110 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [1,0,0,0,0,0|2,0,1]=4 111 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [1,0,0,0,0,0|2,0,1]=4 112 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [1,0,0,0,0,0|2,0,1]=4 113 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [1,0,0,0,0,0|1,0,1]=3 114 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [1,0,0,0,0,0|2,0,1]=4 115 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [1,0,0,0,0,0|1,0,1]=3 116 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [1,0,0,0,0,0|2,0,1]=4 117 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [1,0,0,0,0,0|2,0,1]=4 118 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [1,0,0,0,0,0|1,0,2]=4 119 B11R1.91 OB(O)/C=C/C1=CC=CC=C1 Z2315575087 [1,0,0,0,0,0|1,0,2]=4 120 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [1,0,0,0,0,0|1,0,2]=4 121 B13R1.133 C/C(=C\C1=CC=C(C=C1)F)/C(=O)O Z1350606414 [0,1,0,0,0,0|1,0,1]=3 122 B13R1.133 CC(C)C(=O)CC1=CC=C(C=C1)Br Z513733696 [0,1,0,0,0,0|2,0,1]=4 123 B13R1.133 CC(C)C(=O)CC1=CC=C(C=C1)Cl Z513734254 [0,1,0,0,0,0|2,0,1]=4 124 B13R1.133 CC(C)C(=O)CC1=CC=C(C=C1)F Z513734502 [0,1,0,0,0,0|2,0,1]=4 125 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)N Z1551999220 [0,1,0,0,0,0|2,0,1]=4 126 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)O Z513659390 [0,1,0,0,0,0|1,0,1]=3 127 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O Z513659166 [0,1,0,0,0,0|1,0,1]=3 128 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)O Z513658938 [0,1,0,0,0,0|1,0,1]=3 129 B13R1.133 CC(CC1=CC=C(C=C1)N)C(=O)O Z1262515083 [0,1,0,0,0,0|1,0,1]=3 130 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O Z56347385 [0,1,0,0,0,0|2,0,1]=4 131 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O Z56922097 [0,1,0,0,0,0|2,0,1]=4 132 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O Z90662162 [0,1,0,0,0,0|2,0,1]=4 133 B13R1.133 CC(SC1=CC=C(C=C1)Br)C(=O)O Z56278798 [0,1,0,0,0,0|2,0,1]=4 134 B13R1.133 CC(SC1=CC=C(C=C1)Cl)C(=O)O Z55179957 [0,1,0,0,0,0|2,0,1]=4 135 B13R1.133 CC(SC1=CC=C(C=C1)F)C(=O)O Z56279369 [0,1,0,0,0,0|2,0,1]=4 136 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O Z271004544 [0,1,0,0,0,0|0,0,0]=1 137 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(C)C Z513734840 [0,1,0,0,0,0|2,0,1]=4 138 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O Z513658700 [0,1,0,0,0,0|1,0,1]=3 139 B13R1.133 CC1=CC=C(C=C1)CN(C)C(=O)N Z198194138 [0,1,0,0,0,0|3,0,0]=4 140 B13R1.133 CC1=CC=C(C=C1)NC(=O)C(=O)O Z57984667 [0,1,0,0,0,0|1,0,0]=2 141 B13R1.133 CC1=CC=C(C=C1)OC(C)C(=O)O Z56915889 [0,1,0,0,0,0|2,0,1]=4 142 B13R1.133 CC1=CC=C(C=C1)SC(C)C(=O)O Z56278800 [0,1,0,0,0,0|2,0,1]=4 143 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)Br Z32014854 [0,1,0,0,0,0|3,0,0]=4 144 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)Cl Z32014573 [0,1,0,0,0,0|3,0,0]=4 145 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)F Z32014651 [0,1,0,0,0,0|3,0,0]=4 146 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)N Z270758276 [0,1,0,0,0,0|3,0,0]=4 147 B13R1.133 C[C@H](OC1=CC=C(C=C1)Cl)C(=O)O Z1508916088 [0,1,0,0,0,0|2,0,1]=4 148 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)Cl Z2065464318 [0,1,0,0,0,0|2,0,1]=4 149 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O Z3211890270 [0,1,0,0,0,0|2,0,1]=4 150 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O Z317024982 [0,1,0,0,0,0|1,0,1]=3 151 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O Z57969728 [0,1,0,0,0,0|1,0,1]=3 152 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O Z1263631851 [0,1,0,0,0,0|1,0,1]=3 153 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [0,1,0,0,0,0|1,0,1]=3 154 B13R1.133 NC(CC1=CN=C(C=C1)O)C(=O)O Z3543676837 [0,1,0,0,0,0|2,0,1]=4 155 B13R1.133 NC(CC1=NC=C(C=C1)Cl)C(=O)O Z3499018105 [0,1,0,0,0,0|2,0,1]=4 156 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O Z995228058 [0,1,0,0,0,0|1,0,1]=3 157 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O Z1269142887 [0,1,0,0,0,0|1,0,1]=3 158 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756440046 [0,1,0,0,0,0|1,0,1]=3 159 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O Z995228428 [0,1,0,0,0,0|1,0,1]=3 160 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O Z995228438 [0,1,0,0,0,0|1,0,1]=3 161 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O Z1269112635 [0,1,0,0,0,0|1,0,1]=3 162 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O Z969739284 [0,1,0,0,0,0|1,0,1]=3 163 B13R1.133 O=C(CC1=CC=C(C=C1)Cl)C(F)F Z734152696 [0,1,0,0,0,0|2,0,1]=4 164 B13R1.133 O=C(O)C(=O)NC1=CC=C(C=C1)Cl Z90122505 [0,1,0,0,0,0|1,0,0]=2 165 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)F Z57388220 [0,1,0,0,0,0|1,0,1]=3 166 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)F Z1255373692 [0,1,0,0,0,0|0,0,2]=3 167 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CCl Z56862395 [0,1,0,0,0,0|3,0,0]=4 168 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CN Z54748693 [0,1,0,0,0,0|3,0,0]=4 169 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 Z1449756300 [0,1,0,0,0,0|2,0,1]=4 170 B13R1.135 CNC(=O)N(C)CC1=CC=CC=C1 Z177087670 [0,1,0,0,0,0|3,0,0]=4 171 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 Z56867313 [0,1,0,0,0,0|1,0,1]=3 172 B13R1.135 COC(=O)C(N)CC1=CC=NC=C1 Z2197092950 [0,1,0,0,0,0|2,0,1]=4 173 B13R1.135 NNC(=O)C(=O)NC1=NC=CC=C1 Z1203154712 [0,1,0,0,0,0|3,0,0]=4 174 B13R1.148 CC(=O)N(C)CC1=CC(=CC=C1)N Z368504818 [0,1,0,0,0,0|3,0,0]=4 175 B13R1.148 CC(CC1=CC(=CC=C1)Cl)C(=O)O Z513660282 [0,1,0,0,0,0|1,0,1]=3 176 B13R1.148 CC(CC1=CC(=CC=C1)F)C(=O)O Z513660066 [0,1,0,0,0,0|1,0,1]=3 177 B13R1.148 CC(OC1=CC(=CC=C1)Br)C(=O)O Z228583330 [0,1,0,0,0,0|2,0,1]=4 178 B13R1.148 CC(OC1=CC(=CC=C1)Cl)C(=O)O Z57042071 [0,1,0,0,0,0|2,0,1]=4 179 B13R1.148 CC(OC1=CC(=CC=C1)F)C(=O)O Z228583338 [0,1,0,0,0,0|2,0,1]=4 180 B13R1.148 CC(OC1=CC(=CC=C1)N)C(=O)O Z274525908 [0,1,0,0,0,0|2,0,1]=4 181 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O Z2470414651 [0,1,0,0,0,0|1,0,1]=3 182 B13R1.148 CC1=CC(=CN=C1)CC(N)C(=O)O Z3401637181 [0,1,0,0,0,0|2,0,1]=4 183 B13R1.148 CC1=CC=CC(=C1)OC(C)C(=O)O Z56917379 [0,1,0,0,0,0|2,0,1]=4 184 B13R1.148 CC1=NC(=CC=C1)CC(N)C(=O)O Z4910394436 [0,1,0,0,0,0|2,0,1]=4 185 B13R1.148 CN(C)C(=O)CC1=CC(=CC=C1)F Z32015055 [0,1,0,0,0,0|3,0,0]=4 186 B13R1.148 CN(C)C(=O)CC1=CC(=CC=C1)I Z1419216880 [0,1,0,0,0,0|3,0,0]=4 187 B13R1.148 CN(C)C(=O)CC1=CC(=CC=C1)N Z992264372 [0,1,0,0,0,0|3,0,0]=4 188 B13R1.148 C[N+]1=CC(=CC=C1)CC(N)C(=O)O Z3827376923 [0,1,0,0,0,0|2,0,1]=4 189 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O Z1770192944 [0,1,0,0,0,0|1,0,1]=3 190 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O Z1374884687 [0,1,0,0,0,0|1,0,1]=3 191 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O Z317025828 [0,1,0,0,0,0|1,0,1]=3 192 B13R1.148 NC(CC1=CC(=CN=C1)Br)C(=O)O Z3444795124 [0,1,0,0,0,0|2,0,1]=4 193 B13R1.148 NC(CC1=CC(=CN=C1)Cl)C(=O)O Z3353591955 [0,1,0,0,0,0|2,0,1]=4 194 B13R1.148 NC(CC1=CC(=CN=C1)F)C(=O)O Z3376051877 [0,1,0,0,0,0|2,0,1]=4 195 B13R1.148 NC(CC1=CC(=CN=C1)O)C(=O)O Z3400819408 [0,1,0,0,0,0|2,0,1]=4 196 B13R1.148 NC(CC1=CC(=NC=C1)O)C(=O)O Z3481534727 [0,1,0,0,0,0|2,0,1]=4 197 B13R1.148 NC(CC1=NC=CC(=C1)Cl)C(=O)O Z3780525124 [0,1,0,0,0,0|2,0,1]=4 198 B13R1.148 NC1=CC(=NC=C1)CC(N)C(=O)O Z3400147310 [0,1,0,0,0,0|2,0,1]=4 199 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O Z995228186 [0,1,0,0,0,0|1,0,1]=3 200 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O Z995228562 [0,1,0,0,0,0|1,0,1]=3 201 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)Cl Z1269030667 [0,1,0,0,0,0|0,0,2]=3 202 B13R1.152 CC(C(=O)O)C(N)C1=CC=CC=C1 Z1272096620 [0,1,0,0,0,0|1,0,1]=3 203 B13R1.152 CC(C)C(=O)C(N)C1=CC=CC=C1 Z1509442373 [0,1,0,0,0,0|2,0,1]=4 204 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)N Z2182115487 [0,1,0,0,0,0|2,0,1]=4 205 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O Z802846100 [0,1,0,0,0,0|1,0,1]=3 206 B13R1.152 CC(C1=CC=CC=C1)C(O)C(=O)O Z802846688 [0,1,0,0,0,0|0,0,2]=3 207 B13R1.152 CN(C)C(=O)C(N)C1=CC=CC=C1 Z600428418 [0,1,0,0,0,0|3,0,0]=4 208 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 Z1649893051 [0,1,0,0,0,0|1,0,1]=3 209 B13R1.202 CC(=O)N(C)CC1=C(C=CC=C1)N Z362599820 [0,1,0,0,0,0|3,0,0]=4 210 B13R1.202 CC(C)C(=O)CC1=C(C=CC=C1)Br Z513734836 [0,1,0,0,0,0|2,0,1]=4 211 B13R1.202 CC(CC1=C(C=CC=C1)Cl)C(=O)O Z513661398 [0,1,0,0,0,0|1,0,1]=3 212 B13R1.202 CC(CC1=C(C=CC=C1)F)C(=O)O Z513661176 [0,1,0,0,0,0|1,0,1]=3 213 B13R1.202 CC(OC1=C(C=CC=C1)Br)C(=O)O Z228583522 [0,1,0,0,0,0|2,0,1]=4 214 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O Z65532924 [0,1,0,0,0,0|2,0,1]=4 215 B13R1.202 CC(OC1=C(C=CC=C1)F)C(=O)O Z65532537 [0,1,0,0,0,0|2,0,1]=4 216 B13R1.202 CC(SC1=C(C=CC=C1)Cl)C(=O)O Z56278782 [0,1,0,0,0,0|2,0,1]=4 217 B13R1.202 CC1=C(C=CC=C1)CC(=O)N(C)C Z71501042 [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|1,0,1]=3 219 B13R1.202 CN(C)C(=O)CC1=C(C=CC=C1)Cl Z32015067 [0,1,0,0,0,0|3,0,0]=4 220 B13R1.202 CN(C)C(=O)CC1=C(C=CC=C1)F Z32014699 [0,1,0,0,0,0|3,0,0]=4 221 B13R1.202 CN(C)C(=O)CC1=C(C=CC=C1)N Z270758274 [0,1,0,0,0,0|3,0,0]=4 222 B13R1.202 NC(=O)C(N)CC1=C(C=CC=C1)Cl Z1258519447 [0,1,0,0,0,0|2,0,1]=4 223 B13R1.202 NC(CC1=C(C=CC=C1)Br)C(=O)O Z2217033050 [0,1,0,0,0,0|1,0,1]=3 224 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O Z1065645436 [0,1,0,0,0,0|1,0,1]=3 225 B13R1.202 NC(CC1=C(N=CC=C1)O)C(=O)O Z3492296846 [0,1,0,0,0,0|2,0,1]=4 226 B13R1.202 O=C(O)C(O)CC1=C(C=CC=C1)Cl Z1269030424 [0,1,0,0,0,0|0,0,2]=3 227 B13R1.353 CC(C)(C)C(=O)CC1=CC=CC=C1 Z513735850 [0,1,0,0,0,0|2,0,1]=4 228 B13R1.353 O=C(CC1=CC=CC=C1)C(F)(F)F Z734152922 [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|1,0,1]=3 230 B13R1.418 CCC(NC1=CC=CC=C1)C(=O)O Z274534828 [0,1,0,0,0,0|2,0,1]=4 231 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O Z104484470 [0,1,0,0,0,0|2,0,1]=4 232 B13R1.418 CCC(SC1=CC=CC=C1)C(=O)O Z149157470 [0,1,0,0,0,0|2,0,1]=4 233 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O Z446011606 [0,1,0,0,0,0|1,0,1]=3 234 B13R1.418 COC(CC1=CC=CC=C1)C(=O)N Z2233706113 [0,1,0,0,0,0|1,0,2]=4 235 B13R1.418 COC(CC1=CC=CC=C1)C(=O)O Z1258977185 [0,1,0,0,0,0|0,0,2]=3 236 B13R1.418 N#C/C(=C/C1=CC=CC=C1)/C(=O)O Z44303374 [0,1,0,0,0,0|1,0,1]=3 237 B13R1.418 NC(=O)N(CC1=CC=CC=C1)N=O Z1262622772 [0,1,0,0,0,0|2,0,0]=3 238 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O Z1258578382 [0,1,0,0,0,0|1,0,1]=3 239 B13R1.418 NCC(CC1=CC=NC=C1)C(=O)O Z2382197013 [0,1,0,0,0,0|2,0,1]=4 240 B13R1.418 NCC(CC1=CN=CC=C1)C(=O)O Z1601464443 [0,1,0,0,0,0|2,0,1]=4 241 B13R1.418 NCC(CC1=NC=CC=C1)C(=O)O Z1259273372 [0,1,0,0,0,0|2,0,1]=4 242 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O Z995179618 [0,1,0,0,0,0|1,0,1]=3 243 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)O Z274535156 [0,1,0,0,0,0|2,0,1]=4 244 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O Z640389616 [0,1,0,0,0,0|2,0,1]=4 245 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O Z2680629352 [0,1,0,0,0,0|1,0,1]=3 246 B13R1.1073 CC(N)(CC1=CC=NC=C1)C(=O)O Z1251361035 [0,1,0,0,0,0|2,0,1]=4 247 B13R1.1073 CC(N)(CC1=NC=CC=C1)C(=O)O Z4830335089 [0,1,0,0,0,0|2,0,1]=4 248 B13R1.1073 CC(O)(CC1=CC=CC=C1)C(=O)O Z1079110682 [0,1,0,0,0,0|0,0,2]=3 249 B13R1.1073 C[C@@](O)(CC1=CC=CC=C1)C(=O)O Z1198165765 [0,1,0,0,0,0|0,0,2]=3 250 B13R1.1073 C[C@](O)(CC1=CC=CC=C1)C(=O)O Z1198165764 [0,1,0,0,0,0|0,0,2]=3 251 B13R1.1073 O=C(O)C(F)(F)OC1=CC=CC=C1 Z445134424 [0,1,0,0,0,0|2,0,1]=4 252 B13R2.359 CC1(C(=O)NC2=C1C=CC=C2)O Z1198279633 [0,0,0,1,0,0|2,0,1]=4 253 B13R2.369 CC1=C(C=C2C=CC=CC2=N1)O Z1198159959 [0,0,0,1,0,0|3,0,0]=4 254 B13R2.369 CC1=C(N=C2C=CC=CC2=N1)O Z57254350 [0,0,0,1,0,0|3,0,0]=4 255 B13R2.369 CC1=CC2=C(C=CC=C2)NC1=O Z1198181962 [0,0,0,1,0,0|2,0,1]=4 256 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O Z164680268 [0,0,0,1,0,0|2,0,1]=4 257 B13R2.369 CN1CC2=C(C=CC=C2)NC1=O Z104476152 [0,0,0,1,0,0|3,0,0]=4 258 B13R2.369 CN1CC2=C(C=CC=C2)OC1=O Z1862014448 [0,0,0,1,0,0|2,0,0]=3 259 B13R2.369 NC1CC2=C(C=CC=C2)NC1=O Z2692093571 [0,0,0,1,0,0|2,0,1]=4 260 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1Br Z3038092306 [0,0,0,1,0,0|2,0,1]=4 261 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1F Z1216824451 [0,0,0,1,0,0|2,0,1]=4 262 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O Z199538190 [0,0,0,1,0,0|2,0,0]=3 263 B13R2.369 O=C1NC2=C(C=CC=C2)OC1O Z984801448 [0,0,0,1,0,0|1,0,2]=4 264 B13R2.373 C=C1CN(C1=O)C2=CC=CC=C2 Z1861994427 [0,0,0,1,0,0|3,0,0]=4 265 B13R2.373 CC1C(=O)CC1C2=CC=CC=C2 Z1436543792 [0,0,0,1,0,0|2,0,1]=4 266 B13R2.373 CC1C(=O)NC1C2=CC=CC=C2 Z1267861070 [0,0,0,1,0,0|2,0,1]=4 267 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 Z1198162290 [0,0,0,1,0,0|1,0,1]=3 268 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2235584851 [0,0,0,1,0,0|1,0,1]=3 269 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=NC=C2 Z2379204261 [0,0,0,1,0,0|2,0,1]=4 270 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CN=CC=C2 Z2242045438 [0,0,0,1,0,0|2,0,1]=4 271 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=NC=CC=C2 Z3070727223 [0,0,0,1,0,0|2,0,1]=4 272 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 Z1235967724 [0,0,0,1,0,0|1,0,1]=3 273 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 Z1262510970 [0,0,0,1,0,0|1,0,1]=3 274 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 Z57931417 [0,0,0,1,0,0|0,0,3]=4 275 B13R2.435 CC(=O)C1=CC2=C(N1)C=CC=C2 Z1198159037 [0,0,0,1,0,0|2,0,1]=4 276 B13R2.435 CC(=O)C1=CC2=C(O1)C=CC=C2 Z57054215 [0,0,0,1,0,0|1,0,2]=4 277 B13R2.435 CC(=O)C1=CC2=C(S1)C=CC=C2 Z337709350 [0,0,0,1,0,0|1,1,1]=4 278 B13R2.435 CC(=O)C1=NC2=C(N1)C=CC=C2 Z90124730 [0,0,0,1,0,0|3,0,0]=4 279 B13R2.435 CC(=O)C1=NC2=C(S1)C=CC=C2 Z57218968 [0,0,0,1,0,0|2,1,0]=4 280 B13R2.435 NC(=O)C1=CC2=C(N1)C=CC=C2 Z101185700 [0,0,0,1,0,0|2,0,1]=4 281 B13R2.435 NC(=O)C1=NC2=C(N1)C=CC=C2 Z276687202 [0,0,0,1,0,0|3,0,0]=4 282 B13R2.435 NC(=O)C1=NC2=C(O1)C=CC=C2 Z1198221051 [0,0,0,1,0,0|2,0,1]=4 283 B13R2.435 NC(=O)C1CC2=C(N1)C=CC=C2 Z1255399804 [0,0,0,1,0,0|2,0,1]=4 284 B13R2.435 NC(=O)C1CC2=C(O1)C=CC=C2 Z116821856 [0,0,0,1,0,0|1,0,2]=4 285 B13R2.435 NC(=O)N1CC2=C(C1)C=CC=C2 Z963453910 [0,0,0,1,0,0|3,0,0]=4 286 B13R2.435 NC(=O)[C@@H]1CC2=C(N1)C=CC=C2 Z760046840 [0,0,0,1,0,0|2,0,1]=4 287 B13R2.435 O=C(O)C1=CC2=C(C1)C=CC=C2 Z1255423596 [0,0,0,1,0,0|1,0,0]=2 288 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=C2 Z56347139 [0,0,0,1,0,0|1,0,1]=3 289 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=N2 Z1198266663 [0,0,0,1,0,0|2,0,1]=4 290 B13R2.435 O=C(O)C1=CC2=C(N1)C=NC=C2 Z1198323516 [0,0,0,1,0,0|2,0,1]=4 291 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=C2 Z56839706 [0,0,0,1,0,0|0,0,2]=3 292 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=N2 Z2670715454 [0,0,0,1,0,0|1,0,2]=4 293 B13R2.435 O=C(O)C1=CC2=C(O1)C=CN=C2 Z1255443420 [0,0,0,1,0,0|1,0,2]=4 294 B13R2.435 O=C(O)C1=CC2=C(S1)C=CC=C2 Z89265777 [0,0,0,1,0,0|0,1,1]=3 295 B13R2.435 O=C(O)C1=CC2=C(S1)C=NC=C2 Z1255380800 [0,0,0,1,0,0|1,1,1]=4 296 B13R2.435 O=C(O)C1=NC2=C(N1)C=CC=C2 Z274592454 [0,0,0,1,0,0|2,0,0]=3 297 B13R2.435 O=C(O)C1=NC2=C(S1)C=CC=C2 Z56899149 [0,0,0,1,0,0|1,1,0]=3 298 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 Z1171753366 [0,0,0,1,0,0|2,0,1]=4 299 B13R2.435 O=C(O)C1CC2=C(C1)C=CC=C2 Z607808530 [0,0,0,1,0,0|1,0,1]=3 300 B13R2.435 O=C(O)C1CC2=C(C1)C=NC=C2 Z2213893333 [0,0,0,1,0,0|2,0,1]=4 301 B13R2.435 O=C(O)C1CC2=C(C1)N=CC=C2 Z1262528380 [0,0,0,1,0,0|2,0,1]=4 302 B13R2.435 O=C(O)C1CC2=C(N1)C=CC=C2 Z343211224 [0,0,0,1,0,0|1,0,1]=3 303 B13R2.435 O=C(O)C1CC2=C(O1)C=CC=C2 Z104377952 [0,0,0,1,0,0|0,0,2]=3 304 B13R2.435 O=C(O)C1CC2=C(S1)C=CC=C2 Z221583708 [0,0,0,1,0,0|0,1,1]=3 305 B13R2.435 O=C(O)[C@@H]1CC2=C(N1)C=CC=C2 Z335079490 [0,0,0,1,0,0|1,0,1]=3 306 B13R2.444 O=C(CC1=CC=CC=C1)C2CC2 Z513735694 [0,0,0,1,0,0|2,0,1]=4 307 B11R1.35 C/C(=C\C1=CC=CO1)/C(=O)O Z2492774531 [0,0,0,0,1,0|2,0,1]=4 308 B11R1.35 C/C(=C\C1=CC=CS1)/C(=O)O Z1198150490 [0,0,0,0,1,0|2,0,1]=4 309 B11R1.35 CC(CC1=CC=CS1)C(=O)O Z756390536 [0,0,0,0,1,0|2,0,1]=4 310 B11R1.35 NC(CC1=CC=CN1)C(=O)O Z1065645554 [0,0,0,0,1,0|2,0,1]=4 311 B11R1.35 NC(CC1=CC=CO1)C(=O)O Z317025794 [0,0,0,0,1,0|2,0,1]=4 312 B11R1.35 NC(CC1=COC=C1)C(=O)O Z3839442137 [0,0,0,0,1,0|2,0,1]=4 313 B11R1.35 NC(CC1=CSC=C1)C(=O)O Z3251695259 [0,0,0,0,1,0|2,0,1]=4 314 B11R1.35 O=C(O)C(=O)CC1=CC=CS1 Z271004562 [0,0,0,0,1,0|1,0,0]=2 315 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 Z1201618094 [0,0,0,0,1,0|1,0,0]=2 316 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 Z1255485389 [0,0,0,0,1,0|1,0,0]=2 317 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 Z1255383314 [0,0,0,0,1,0|2,0,1]=4 318 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Z3234810419 [0,0,0,0,1,0|2,0,1]=4 319 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 Z31506242 [0,0,0,0,1,0|3,0,0]=4 320 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 Z1255506457 [0,0,0,0,1,0|2,0,1]=4 321 B11R1.36 CC(C(=O)O)C1=CN=CC=C1 Z792377268 [0,0,0,0,1,0|2,0,1]=4 322 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 Z199509008 [0,0,0,0,1,0|2,0,1]=4 323 B11R1.36 CN(O)C(=O)C1=CC=CC=C1 Z1416187404 [0,0,0,0,1,0|2,0,0]=3 324 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 Z5462337230 [0,0,0,0,1,0|2,0,1]=4 325 B11R1.36 C[C@H](C(=O)O)C1=CN=CC=C1 Z5462556304 [0,0,0,0,1,0|2,0,1]=4 326 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 Z57069256 [0,0,0,0,1,0|2,0,1]=4 327 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 Z57204607 [0,0,0,0,1,0|2,0,1]=4 328 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 Z147647142 [0,0,0,0,1,0|1,0,1]=3 329 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 Z815264186 [0,0,0,0,1,0|2,0,1]=4 330 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 Z278101784 [0,0,0,0,1,0|1,0,1]=3 331 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 Z957336528 [0,0,0,0,1,0|1,0,1]=3 332 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 Z381360894 [0,0,0,0,1,0|0,0,0]=1 333 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 Z104495824 [0,0,0,0,1,0|1,0,1]=3 334 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 Z1203161992 [0,0,0,0,1,0|1,0,1]=3 335 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 Z104473974 [0,0,0,0,1,0|0,0,2]=3 336 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 Z808230894 [0,0,0,0,1,0|0,1,1]=3 337 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 Z1201618616 [0,0,0,0,1,0|0,0,2]=3 338 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 Z1255390767 [0,0,0,0,1,0|0,0,2]=3 339 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 Z1198148922 [0,0,0,0,0,1|1,0,0]=2 340 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 Z56968279 [0,0,0,0,0,1|2,0,0]=3 341 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 Z1259040954 [0,0,0,0,0,1|2,0,0]=3 342 B13R1.348 NC(=S)CC(=O)NC1=CC=CC=C1 Z89264865 [0,0,0,0,0,1|2,1,0]=4 343 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [0,0,0,0,0,1|1,0,1]=3 344 B13R1.348 O=C(CC1=CC=CC=C1)C[N+](=O)[O-] Z57032633 [0,0,0,0,0,1|1,0,1]=3 345 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [0,0,0,0,0,1|0,0,2]=3 346 B13R1.351 C=C(C)C(=O)NNC1=CC=CC=C1 Z56757944 [0,0,0,0,0,1|3,0,0]=4 347 B13R1.351 C=C(COC1=CC=CC=C1)C(=O)O Z1197868054 [0,0,0,0,0,1|1,0,0]=2 348 B13R1.351 CC(/C=C/C1=CC=CC=C1)C(=O)O Z3241898772 [0,0,0,0,0,1|1,0,2]=4 349 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 Z906195336 [0,0,0,0,0,1|2,0,1]=4 350 B13R1.351 CC(C)C(=O)CCC1=CC=CC=C1 Z406378608 [0,0,0,0,0,1|2,0,1]=4 351 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O Z425469932 [0,0,0,0,0,1|1,0,1]=3 352 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O Z431541708 [0,0,0,0,0,1|1,0,1]=3 353 B13R1.351 CC(Cl)C(=O)CCC1=CC=CC=C1 Z1262508267 [0,0,0,0,0,1|2,0,1]=4 354 B13R1.351 CC(Cl)C(=O)NCC1=CC=CC=C1 Z56914802 [0,0,0,0,0,1|2,0,1]=4 355 B13R1.351 CC(N)C(=O)NCC1=CC=CC=C1 Z234893901 [0,0,0,0,0,1|2,0,1]=4 356 B13R1.351 CC(N)C(=O)OCC1=CC=CC=C1 Z2472775311 [0,0,0,0,0,1|2,0,1]=4 357 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O Z426041612 [0,0,0,0,0,1|1,0,1]=3 358 B13R1.351 CC(NCC1=CN=CC=C1)C(=O)O Z440613690 [0,0,0,0,0,1|2,0,1]=4 359 B13R1.351 CC(NCC1=NC=CC=C1)C(=O)O Z1270255478 [0,0,0,0,0,1|2,0,1]=4 360 B13R1.351 CC(O)C(=O)NCC1=CC=CC=C1 Z798740028 [0,0,0,0,0,1|1,0,1]=3 361 B13R1.351 CC(O)C(=O)NCC1=NC=CC=C1 Z1251361039 [0,0,0,0,0,1|2,0,1]=4 362 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)N Z394696218 [0,0,0,0,0,1|2,0,1]=4 363 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O Z316258798 [0,0,0,0,0,1|1,0,1]=3 364 B13R1.351 CC(OCC1=CC=NC=C1)C(=O)O Z2235681270 [0,0,0,0,0,1|2,0,1]=4 365 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Z18753939 [0,0,0,0,0,1|1,0,1]=3 366 B13R1.351 CN(C)C(=O)COC1=CC=CC=C1 Z19735310 [0,0,0,0,0,1|3,0,0]=4 367 B13R1.351 CN(C)C(=O)CSC1=CC=CC=C1 Z19750621 [0,0,0,0,0,1|3,0,0]=4 368 B13R1.351 CN(C)C(=O)OCC1=CC=CC=C1 Z32014975 [0,0,0,0,0,1|3,0,0]=4 369 B13R1.351 C[C@H](NCC1=NC=CC=C1)C(=O)O Z5717815294 [0,0,0,0,0,1|2,0,1]=4 370 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O Z1255498772 [0,0,0,0,0,1|1,0,1]=3 371 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O Z317025074 [0,0,0,0,0,1|1,0,1]=3 372 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O Z3004510439 [0,0,0,0,0,1|2,0,1]=4 373 B13R1.351 NC(CCC1=NC=CC=C1)C(=O)O Z2310672466 [0,0,0,0,0,1|2,0,1]=4 374 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O Z1255434715 [0,0,0,0,0,1|1,0,1]=3 375 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O Z1255399095 [0,0,0,0,0,1|1,0,1]=3 376 B13R1.351 O=C(CCC1=CC=CC=C1)C(F)F Z1413815132 [0,0,0,0,0,1|2,0,1]=4 377 B13R1.351 O=C(NCC1=CC=CC=C1)C(F)Cl Z1509169538 [0,0,0,0,0,1|2,0,1]=4 378 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 Z1201620725 [0,0,0,0,0,1|0,0,0]=1 379 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 Z1259340035 [0,0,0,0,0,1|0,0,2]=3 380 B10R1.17 O=C/C=C/C1=CC=CC=C1 Z3219847383 [2,0,0,0,0,0|0,0,1]=3 381 B10R1.17 O=C/C=C/C1=CC=NC=C1 Z2417822722 [2,0,0,0,0,0|1,0,1]=4 382 B10R1.17 O=C/C=C/C1=NC=CC=C1 Z1255366309 [2,0,0,0,0,0|1,0,1]=4 383 B10R1.17 O=CC#CC1=CC=CC=C1 Z1255485337 [2,0,0,0,0,0|0,0,2]=4 384 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [2,0,0,0,0,0|0,0,1]=3 385 B10R1.17 O=CCCC1=CC=NC=C1 Z1070006438 [2,0,0,0,0,0|1,0,1]=4 386 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [2,0,0,0,0,0|1,0,1]=4 387 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [2,0,0,0,0,0|1,0,1]=4 388 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [2,0,0,0,0,0|1,0,1]=4 389 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [2,0,0,0,0,0|1,0,0]=3 390 B10R1.17 O=CNNC1=CC=CC=C1 Z1198148433 [2,0,0,0,0,0|2,0,0]=4 391 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [2,0,0,0,0,0|0,0,2]=4 392 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [2,0,0,0,0,0|0,0,2]=4 393 B10R1.18 CC(=O)CC1=CC=NC=C1 Z992409812 [2,0,0,0,0,0|1,0,1]=4 394 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [2,0,0,0,0,0|1,0,1]=4 395 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [2,0,0,0,0,0|1,0,1]=4 396 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [2,0,0,0,0,0|2,0,0]=4 397 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [2,0,0,0,0,0|1,0,0]=3 398 B10R1.18 NC(=O)CC1=CC=NC=C1 Z234895093 [2,0,0,0,0,0|2,0,0]=4 399 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [2,0,0,0,0,0|2,0,0]=4 400 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [2,0,0,0,0,0|1,1,0]=4 401 B10R1.18 O=C(O)CC1=CC=NC=C1 Z271099418 [2,0,0,0,0,0|1,0,0]=3 402 B10R1.18 O=C(O)CC1=CN=CC=C1 Z285131558 [2,0,0,0,0,0|1,0,0]=3 403 B10R1.18 O=C(O)CC1=CN=CN=C1 Z1889902548 [2,0,0,0,0,0|2,0,0]=4 404 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [2,0,0,0,0,0|1,0,0]=3 405 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 Z995236210 [2,0,0,0,0,0|1,0,1]=4 406 B10R1.18 OB(O)CC1=CC=CC=C1 Z1147227831 [2,0,0,0,0,0|1,0,1]=4 407 B12R1.32 CCCC(=O)CC1=CC=CC=C1 Z513733628 [1,1,0,0,0,0|1,0,1]=4 408 B12R1.32 COCC(=O)CC1=CC=CC=C1 Z447897954 [1,1,0,0,0,0|0,0,1]=3 409 B12R1.32 COCC(=O)NC1=CC=CC=C1 Z31504642 [1,1,0,0,0,0|1,0,1]=4 410 B12R1.32 O=C(/C=N/O)NC1=CC=CC=C1 Z56871811 [1,1,0,0,0,0|1,0,0]=3 411 B12R1.34 C=CC(=O)N(C)C1=CC=CC=C1 Z440633576 [1,1,0,0,0,0|2,0,0]=4 412 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 Z594038166 [1,1,0,0,0,0|2,0,0]=4 413 B12R1.34 CNC(=O)C(O)C1=CC=CC=C1 Z1203869997 [1,1,0,0,0,0|2,0,0]=4 414 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 Z57046237 [1,1,0,0,0,0|2,0,0]=4 415 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 Z56757232 [1,1,0,0,0,0|2,0,0]=4 416 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 Z19752945 [1,1,0,0,0,0|2,0,0]=4 417 B12R1.49 C/C(=C\C1=CC=C(C=C1)Cl)/C=O Z1251359146 [1,1,0,0,0,0|1,0,1]=4 418 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)Br Z381016676 [1,1,0,0,0,0|2,0,0]=4 419 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)C Z440633654 [1,1,0,0,0,0|2,0,0]=4 420 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)Cl Z440633664 [1,1,0,0,0,0|2,0,0]=4 421 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)F Z424770410 [1,1,0,0,0,0|2,0,0]=4 422 B12R1.49 CC1=CC=C(C=C1)CC(=O)CCl Z316174762 [1,1,0,0,0,0|1,0,1]=4 423 B12R1.49 CC1=CC=C(C=C1)CC(=O)NO Z90728587 [1,1,0,0,0,0|1,0,0]=3 424 B12R1.49 CC1=CC=C(C=C1)CC(Cl)C=O Z982126370 [1,1,0,0,0,0|1,0,1]=4 425 B12R1.49 CC1=CC=C(C=C1)NC(=O)CO Z228585410 [1,1,0,0,0,0|1,0,1]=4 426 B12R1.49 CCC(=O)CC1=CC=C(C=C1)Br Z513733694 [1,1,0,0,0,0|1,0,1]=4 427 B12R1.49 CCC(=O)CC1=CC=C(C=C1)C Z513735300 [1,1,0,0,0,0|1,0,1]=4 428 B12R1.49 CNC(=O)CC1=CC=C(C=C1)Br Z30272406 [1,1,0,0,0,0|2,0,0]=4 429 B12R1.49 CNC(=O)CC1=CC=C(C=C1)N Z239124750 [1,1,0,0,0,0|2,0,0]=4 430 B12R1.49 CNC(=O)CC1=CC=C(C=C1)O Z135505392 [1,1,0,0,0,0|2,0,0]=4 431 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br Z18830099 [1,1,0,0,0,0|2,0,0]=4 432 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl Z18425668 [1,1,0,0,0,0|2,0,0]=4 433 B12R1.49 COC(=O)CC1=CC=C(C=C1)N Z285139238 [1,1,0,0,0,0|2,0,0]=4 434 B12R1.49 NCC(=O)CC1=CC=C(C=C1)F Z1889902528 [1,1,0,0,0,0|1,0,1]=4 435 B12R1.49 NNC(=O)CC1=CC=C(C=C1)Cl Z56346881 [1,1,0,0,0,0|2,0,0]=4 436 B12R1.49 NNC(=O)CC1=CC=C(C=C1)F Z56347387 [1,1,0,0,0,0|2,0,0]=4 437 B12R1.49 O=C(CC1=CC=C(C=C1)Br)NO Z59182179 [1,1,0,0,0,0|1,0,0]=3 438 B12R1.49 O=C(CC1=CC=C(C=C1)Cl)NO Z59182084 [1,1,0,0,0,0|1,0,0]=3 439 B12R1.49 O=C(CC1=CC=C(C=C1)F)NO Z59182031 [1,1,0,0,0,0|1,0,0]=3 440 B12R1.49 O=C(CC1=CC=C(C=C1)O)NO Z135512374 [1,1,0,0,0,0|1,0,0]=3 441 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)Br Z408178414 [1,1,0,0,0,0|1,0,1]=4 442 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)Cl Z316174770 [1,1,0,0,0,0|1,0,1]=4 443 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)F Z316174768 [1,1,0,0,0,0|1,0,1]=4 444 B12R1.49 O=C(CO)CC1=CC=C(C=C1)F Z906206828 [1,1,0,0,0,0|0,0,1]=3 445 B12R1.49 O=C(CO)NC1=CC=C(C=C1)Cl Z228585484 [1,1,0,0,0,0|1,0,1]=4 446 B12R1.50 C=CC(=O)NC1=CC=CC(=C1)Br Z381016842 [1,1,0,0,0,0|2,0,0]=4 447 B12R1.50 C=CC(=O)NC1=CC=CC(=C1)C Z440633644 [1,1,0,0,0,0|2,0,0]=4 448 B12R1.50 C=CC(=O)NC1=CC=CC(=C1)Cl Z440633660 [1,1,0,0,0,0|2,0,0]=4 449 B12R1.50 C=CC(=O)NC1=CC=CC(=C1)F Z440633662 [1,1,0,0,0,0|2,0,0]=4 450 B12R1.50 CC1=CC(=CC=C1)CC(=O)CCl Z276118998 [1,1,0,0,0,0|1,0,1]=4 451 B12R1.50 CC1=CC(=CC=C1)NC(=O)CO Z431952658 [1,1,0,0,0,0|1,0,1]=4 452 B12R1.50 CNC(=O)CC1=CC(=CC=C1)O Z816010790 [1,1,0,0,0,0|2,0,0]=4 453 B12R1.50 COC(=O)CC1=CC(=CC=C1)Br Z905185712 [1,1,0,0,0,0|2,0,0]=4 454 B12R1.50 COC(=O)CC1=CC(=CC=C1)N Z1250132316 [1,1,0,0,0,0|2,0,0]=4 455 B12R1.50 COC(=O)CC1=CC(=CC=C1)O Z816010254 [1,1,0,0,0,0|2,0,0]=4 456 B12R1.50 NC1=CC(=CC=C1)NC(=O)CO Z385458324 [1,1,0,0,0,0|1,0,1]=4 457 B12R1.50 NCC(=O)CC1=CC(=CC=C1)Br Z1981870420 [1,1,0,0,0,0|1,0,1]=4 458 B12R1.50 O=C(CC1=CC(=CC=C1)F)NO Z59182830 [1,1,0,0,0,0|1,0,0]=3 459 B12R1.50 O=C(CC1=CC(=CC=C1)O)NO Z816010210 [1,1,0,0,0,0|1,0,0]=3 460 B12R1.50 O=C(CCl)CC1=CC(=CC=C1)Br Z408178442 [1,1,0,0,0,0|1,0,1]=4 461 B12R1.50 O=C(CCl)CC1=CC(=CC=C1)Cl Z316174772 [1,1,0,0,0,0|1,0,1]=4 462 B12R1.50 O=C(CCl)CC1=CC=CC(=C1)F Z316174766 [1,1,0,0,0,0|1,0,1]=4 463 B12R1.118 COC(C=O)CC1=CC=CC=C1 Z1511872212 [1,1,0,0,0,0|0,0,2]=4 464 B12R1.194 CC(C)(C=O)CC1=CC=CC=C1 Z1188488760 [1,1,0,0,0,0|1,0,1]=4 465 B12R1.371 C=CC(=O)NC1=C(C=CC=C1)C Z440633758 [1,1,0,0,0,0|2,0,0]=4 466 B12R1.371 C=CC(=O)NC1=C(C=CC=C1)Cl Z440633680 [1,1,0,0,0,0|2,0,0]=4 467 B12R1.371 C=CC(=O)NC1=C(C=CC=C1)F Z295390598 [1,1,0,0,0,0|2,0,0]=4 468 B12R1.371 CC1=C(C=CC=C1)NC(=O)CO Z228585408 [1,1,0,0,0,0|1,0,1]=4 469 B12R1.371 CCC(=O)CC1=C(C=CC=C1)Br Z513735296 [1,1,0,0,0,0|1,0,1]=4 470 B12R1.371 CNC(=O)CC1=C(C=CC=C1)N Z234895127 [1,1,0,0,0,0|2,0,0]=4 471 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl Z24820310 [1,1,0,0,0,0|2,0,0]=4 472 B12R1.371 COC(=O)CC1=C(C=CC=C1)I Z1269173309 [1,1,0,0,0,0|2,0,0]=4 473 B12R1.371 COC(=O)CC1=C(C=CC=C1)N Z1333043515 [1,1,0,0,0,0|2,0,0]=4 474 B12R1.371 COC(=O)CC1=C(C=CC=C1)O Z1010319062 [1,1,0,0,0,0|2,0,0]=4 475 B12R1.371 N/C(=N\O)/CC1=C(C=CC=C1)Cl Z451350216 [1,1,0,0,0,0|2,0,0]=4 476 B12R1.371 O=C(CC1=C(C=CC=C1)Cl)NO Z59182782 [1,1,0,0,0,0|1,0,0]=3 477 B12R1.371 O=C(CCl)CC1=C(C=CC=C1)Br Z408178456 [1,1,0,0,0,0|1,0,1]=4 478 B12R1.371 O=C(CCl)CC1=C(C=CC=C1)Cl Z408178450 [1,1,0,0,0,0|1,0,1]=4 479 B12R1.371 O=C(CCl)CC1=C(C=CC=C1)F Z316174764 [1,1,0,0,0,0|1,0,1]=4 480 B12R1.371 O=CC(Cl)CC1=C(C=CC=C1)Cl Z982126354 [1,1,0,0,0,0|1,0,1]=4 481 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F Z1201619760 [1,1,0,0,0,0|1,0,1]=4 482 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [1,1,0,0,0,0|1,0,1]=4 483 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [1,1,0,0,0,0|1,0,1]=4 484 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [1,1,0,0,0,0|1,0,1]=4 485 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Br Z816034502 [1,1,0,0,0,0|2,0,0]=4 486 B12R1.21 CC(=O)NCC1=CC=C(C=C1)N Z600391558 [1,1,0,0,0,0|2,0,0]=4 487 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851512 [1,1,0,0,0,0|0,0,1]=3 488 B12R1.21 CC1=CC=C(C=C1)CCC(=O)N Z194976512 [1,1,0,0,0,0|1,0,1]=4 489 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [1,1,0,0,0,0|0,0,1]=3 490 B12R1.21 CC1=CC=C(C=C1)CNC(=O)N Z198194838 [1,1,0,0,0,0|2,0,0]=4 491 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O Z56812739 [1,1,0,0,0,0|1,0,1]=4 492 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O Z55903478 [1,1,0,0,0,0|1,0,1]=4 493 B12R1.21 CC1=CN=C(C=C1)/C=C/C(=O)O Z1816507718 [1,1,0,0,0,0|1,0,1]=4 494 B12R1.21 CC1=NC=C(C=C1)/C=C/C(=O)O Z1815157396 [1,1,0,0,0,0|1,0,1]=4 495 B12R1.21 CC1=NC=C(C=C1)CCC(=O)O Z2310699273 [1,1,0,0,0,0|1,0,1]=4 496 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Br Z33545605 [1,1,0,0,0,0|1,0,1]=4 497 B12R1.21 NC(=O)CCC1=CC=C(C=C1)F Z87614992 [1,1,0,0,0,0|1,0,1]=4 498 B12R1.21 NC(=O)CCC1=CC=C(C=C1)N Z414316852 [1,1,0,0,0,0|1,0,1]=4 499 B12R1.21 NC(=O)NCC1=CC=C(C=C1)F Z198194834 [1,1,0,0,0,0|2,0,0]=4 500 B12R1.21 NC(=O)NCC1=CC=C(C=C1)N Z600391988 [1,1,0,0,0,0|2,0,0]=4 501 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O Z56762319 [1,1,0,0,0,0|0,0,1]=3 502 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [1,1,0,0,0,0|0,0,1]=3 503 B12R1.21 NC1=CC=C(C=C1)OCC(=O)O Z3241275736 [1,1,0,0,0,0|1,0,1]=4 504 B12R1.21 NC1=NC=C(C=C1)/C=C/C(=O)O Z1374884316 [1,1,0,0,0,0|1,0,1]=4 505 B12R1.21 NC1=NC=C(C=C1)CCC(=O)O Z1255384430 [1,1,0,0,0,0|1,0,1]=4 506 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Br Z2237493681 [1,1,0,0,0,0|0,0,1]=3 507 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Cl Z56989206 [1,1,0,0,0,0|0,0,1]=3 508 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)F Z2942851074 [1,1,0,0,0,0|0,0,1]=3 509 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)O Z56911963 [1,1,0,0,0,0|0,0,1]=3 510 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)Cl Z1962225677 [1,1,0,0,0,0|1,0,1]=4 511 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)F Z2949503127 [1,1,0,0,0,0|1,0,1]=4 512 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [1,1,0,0,0,0|0,0,1]=3 513 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [1,1,0,0,0,0|0,0,1]=3 514 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [1,1,0,0,0,0|0,0,1]=3 515 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [1,1,0,0,0,0|0,0,1]=3 516 B12R1.21 O=C(O)CCC1=CN=C(C=C1)Cl Z1695923041 [1,1,0,0,0,0|1,0,1]=4 517 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Z1889997460 [1,1,0,0,0,0|1,0,1]=4 518 B12R1.21 O=C(O)CCC1=NC=C(C=C1)Br Z1269216724 [1,1,0,0,0,0|1,0,1]=4 519 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Br Z274534708 [1,1,0,0,0,0|1,0,1]=4 520 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Cl Z274534702 [1,1,0,0,0,0|1,0,1]=4 521 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O Z57127481 [1,1,0,0,0,0|1,0,1]=4 522 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br Z56812736 [1,1,0,0,0,0|1,0,1]=4 523 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl Z57181989 [1,1,0,0,0,0|1,0,1]=4 524 B12R1.21 O=C(O)COC1=CC=C(C=C1)F Z56978034 [1,1,0,0,0,0|1,0,1]=4 525 B12R1.21 O=C(O)COC1=CC=C(C=C1)I Z56943814 [1,1,0,0,0,0|1,0,1]=4 526 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [1,1,0,0,0,0|1,0,1]=4 527 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Br Z55903477 [1,1,0,0,0,0|1,0,1]=4 528 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Cl Z55179956 [1,1,0,0,0,0|1,0,1]=4 529 B12R1.21 O=C(O)CSC1=CC=C(C=C1)F Z55903650 [1,1,0,0,0,0|1,0,1]=4 530 B12R1.21 O=C(O)CSC1=CC=C(C=C1)O Z733878444 [1,1,0,0,0,0|1,0,1]=4 531 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 Z1266856412 [1,1,0,0,0,0|1,0,1]=4 532 B12R1.27 C#CC(=O)NCC1=CC=CC=C1 Z1509142729 [1,1,0,0,0,0|2,0,0]=4 533 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 Z1255365960 [1,1,0,0,0,0|2,0,0]=4 534 B12R1.27 C=C(C=O)OCC1=CC=CC=C1 Z1198183530 [1,1,0,0,0,0|2,0,0]=4 535 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 Z56757233 [1,1,0,0,0,0|2,0,0]=4 536 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [1,1,0,0,0,0|1,0,1]=4 537 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [1,1,0,0,0,0|2,0,0]=4 538 B12R1.27 COC(=O)/C=C/C1=CC=CC=C1 Z19782655 [1,1,0,0,0,0|0,0,1]=3 539 B12R1.27 COC(=O)/C=C/C1=CC=NC=C1 Z3226989482 [1,1,0,0,0,0|1,0,1]=4 540 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [1,1,0,0,0,0|0,0,1]=3 541 B12R1.27 COC(=O)CCC1=CC=NC=C1 Z1198171999 [1,1,0,0,0,0|1,0,1]=4 542 B12R1.27 COC(=O)CCC1=CN=CC=C1 Z1069406844 [1,1,0,0,0,0|1,0,1]=4 543 B12R1.27 COC(=O)CNC1=CC=CC=C1 Z1250132387 [1,1,0,0,0,0|1,0,1]=4 544 B12R1.27 COC(=O)NNC1=CC=CC=C1 Z56755853 [1,1,0,0,0,0|2,0,0]=4 545 B12R1.27 N/C(=N\O)/CCC1=CC=CC=C1 Z285132818 [1,1,0,0,0,0|1,0,1]=4 546 B12R1.27 NCC(=O)CCC1=CC=CC=C1 Z3719299469 [1,1,0,0,0,0|1,0,1]=4 547 B12R1.27 NCC(=O)NCC1=CC=CC=C1 Z398557160 [1,1,0,0,0,0|2,0,0]=4 548 B12R1.27 NCC(=O)OCC1=CC=CC=C1 Z56904671 [1,1,0,0,0,0|2,0,0]=4 549 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 Z1255432257 [1,1,0,0,0,0|1,0,1]=4 550 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 Z56896328 [1,1,0,0,0,0|2,0,0]=4 551 B12R1.27 O=C(CO)NCC1=CC=CC=C1 Z228585446 [1,1,0,0,0,0|1,0,0]=3 552 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 Z352748396 [1,1,0,0,0,0|0,0,1]=3 553 B12R1.107 C/C(=C\C(=O)O)/C1=CC=NC=C1 Z352748124 [1,1,0,0,0,0|1,0,1]=4 554 B12R1.107 C/C(=C\C(=O)O)/C1=CN=CC=C1 Z352748104 [1,1,0,0,0,0|1,0,1]=4 555 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [1,1,0,0,0,0|1,0,1]=4 556 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [1,1,0,0,0,0|0,0,1]=3 557 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Z352782496 [1,1,0,0,0,0|1,0,1]=4 558 B12R1.107 CC(NC(=O)N)C1=CC=CC=C1 Z198194342 [1,1,0,0,0,0|2,0,0]=4 559 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z1162448842 [1,1,0,0,0,0|1,0,1]=4 560 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [1,1,0,0,0,0|0,0,1]=3 561 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 Z317027344 [1,1,0,0,0,0|1,0,1]=4 562 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [1,1,0,0,0,0|0,0,1]=3 563 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [1,1,0,0,0,0|0,0,1]=3 564 B12R1.107 O=C(O)/C=C(\F)/C1=CN=CC=C1 Z4602486084 [1,1,0,0,0,0|1,0,1]=4 565 B12R1.107 O=C(O)/C=C(\I)/C1=CC=CC=C1 Z3379426714 [1,1,0,0,0,0|0,0,1]=3 566 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [1,1,0,0,0,0|0,0,1]=3 567 B12R1.107 O=C(O)NC(=O)C1=CC=CC=C1 Z56928966 [1,1,0,0,0,0|1,0,1]=4 568 B12R1.125 CC(=O)/C=C/C1=C(C=CC=C1)F Z1217226767 [1,1,0,0,0,0|1,0,1]=4 569 B12R1.125 CC(=O)CCC1=C(C=CC=C1)F Z406376954 [1,1,0,0,0,0|1,0,1]=4 570 B12R1.125 CC(=O)NCC1=C(C=CC=C1)F Z29857733 [1,1,0,0,0,0|2,0,0]=4 571 B12R1.125 CC(=O)NCC1=C(C=CC=C1)N Z3711224127 [1,1,0,0,0,0|2,0,0]=4 572 B12R1.125 CC1=C(C=CC=C1)/C=C/C(=O)O Z2417574586 [1,1,0,0,0,0|0,0,1]=3 573 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O Z317037960 [1,1,0,0,0,0|0,0,1]=3 574 B12R1.125 CC1=C(C=CC=C1)OCC(=O)O Z56820406 [1,1,0,0,0,0|1,0,1]=4 575 B12R1.125 CC1=C(C=CC=C1)SCC(=O)O Z56870728 [1,1,0,0,0,0|1,0,1]=4 576 B12R1.125 CC1=C(C=CC=N1)/C=C/C(=O)O Z2235790871 [1,1,0,0,0,0|1,0,1]=4 577 B12R1.125 CC1=C(C=CC=N1)CCC(=O)O Z3213741164 [1,1,0,0,0,0|1,0,1]=4 578 B12R1.125 CC1=C(C=CN=C1)/C=C/C(=O)O Z2235790666 [1,1,0,0,0,0|1,0,1]=4 579 B12R1.125 CC1=C(N=CC=C1)/C=C/C(=O)O Z2327040014 [1,1,0,0,0,0|1,0,1]=4 580 B12R1.125 CC1=C(N=CC=C1)CCC(=O)O Z1198279885 [1,1,0,0,0,0|1,0,1]=4 581 B12R1.125 NC(=O)CCC1=C(C=CC=C1)Br Z741559968 [1,1,0,0,0,0|1,0,1]=4 582 B12R1.125 NC(=O)CCC1=C(C=CC=C1)N Z414316848 [1,1,0,0,0,0|1,0,1]=4 583 B12R1.125 NC(=O)CCC1=C(C=CC=C1)O Z371352778 [1,1,0,0,0,0|1,0,1]=4 584 B12R1.125 NC(=O)NCC1=C(C=CC=C1)Cl Z198194806 [1,1,0,0,0,0|2,0,0]=4 585 B12R1.125 NC(=O)NCC1=C(C=CC=C1)F Z198194842 [1,1,0,0,0,0|2,0,0]=4 586 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Br Z2315575361 [1,1,0,0,0,0|0,0,1]=3 587 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl Z57264035 [1,1,0,0,0,0|0,0,1]=3 588 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)F Z2573655240 [1,1,0,0,0,0|0,0,1]=3 589 B12R1.125 O=C(O)/C=C/C1=C(N=CC=C1)Br Z1269170340 [1,1,0,0,0,0|1,0,1]=4 590 B12R1.125 O=C(O)/C=C/C1=C(N=CC=C1)Cl Z1201624228 [1,1,0,0,0,0|1,0,1]=4 591 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Br Z406704244 [1,1,0,0,0,0|0,0,1]=3 592 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl Z56943366 [1,1,0,0,0,0|0,0,1]=3 593 B12R1.125 O=C(O)CCC1=C(C=CC=C1)F Z57991059 [1,1,0,0,0,0|0,0,1]=3 594 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O Z56347225 [1,1,0,0,0,0|0,0,1]=3 595 B12R1.125 O=C(O)CCN1C=CC=CC1=O Z240085344 [1,1,0,0,0,0|1,0,1]=4 596 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl Z274534698 [1,1,0,0,0,0|1,0,1]=4 597 B12R1.125 O=C(O)COC1=C(C=CC=C1)Br Z111834298 [1,1,0,0,0,0|1,0,1]=4 598 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl Z57042068 [1,1,0,0,0,0|1,0,1]=4 599 B12R1.125 O=C(O)COC1=C(C=CC=C1)F Z56823442 [1,1,0,0,0,0|1,0,1]=4 600 B12R1.125 O=C(O)COC1=C(C=CC=C1)O Z56869464 [1,1,0,0,0,0|1,0,1]=4 601 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Br Z56827233 [1,1,0,0,0,0|1,0,1]=4 602 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Cl Z55903470 [1,1,0,0,0,0|1,0,1]=4 603 B12R1.125 O=C(O)CSC1=C(C=CC=C1)F Z55903942 [1,1,0,0,0,0|1,0,1]=4 604 B12R1.125 O=C(O)CSC1=C(C=CC=C1)O Z905204160 [1,1,0,0,0,0|1,0,1]=4 605 B12R1.226 CC(=O)CCC1=CC(=CC=C1)C Z406376778 [1,1,0,0,0,0|1,0,1]=4 606 B12R1.226 CC(=O)CCC1=CC(=CC=C1)F Z406376716 [1,1,0,0,0,0|1,0,1]=4 607 B12R1.226 CC(=O)NCC1=CC(=CC=C1)Br Z340632658 [1,1,0,0,0,0|2,0,0]=4 608 B12R1.226 CC(=O)NCC1=CC(=CC=C1)F Z340527618 [1,1,0,0,0,0|2,0,0]=4 609 B12R1.226 CC1=CC(=CC=C1)/C=C/C(=O)O Z2942851787 [1,1,0,0,0,0|0,0,1]=3 610 B12R1.226 CC1=CC(=CC=C1)CCC(=O)N Z194976514 [1,1,0,0,0,0|1,0,1]=4 611 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [1,1,0,0,0,0|0,0,1]=3 612 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O Z56899056 [1,1,0,0,0,0|1,0,1]=4 613 B12R1.226 CC1=CC(=CC=C1)SCC(=O)O Z778642574 [1,1,0,0,0,0|1,0,1]=4 614 B12R1.226 CC1=CC(=CN=C1)/C=C/C(=O)O Z1473962891 [1,1,0,0,0,0|1,0,1]=4 615 B12R1.226 NC(=O)CCC1=CC(=CC=C1)N Z414316850 [1,1,0,0,0,0|1,0,1]=4 616 B12R1.226 NC(=O)NCC1=CC(=CC=C1)F Z362629554 [1,1,0,0,0,0|2,0,0]=4 617 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O Z2942853438 [1,1,0,0,0,0|0,0,1]=3 618 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Br Z2312942093 [1,1,0,0,0,0|0,0,1]=3 619 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Cl Z2573655238 [1,1,0,0,0,0|0,0,1]=3 620 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)F Z2935925467 [1,1,0,0,0,0|0,0,1]=3 621 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)O Z247613734 [1,1,0,0,0,0|0,0,1]=3 622 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)F Z2587702979 [1,1,0,0,0,0|1,0,1]=4 623 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)O Z1518653071 [1,1,0,0,0,0|1,0,1]=4 624 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)Br Z1269228386 [1,1,0,0,0,0|1,0,1]=4 625 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)Cl Z1255503510 [1,1,0,0,0,0|1,0,1]=4 626 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)O Z2633787192 [1,1,0,0,0,0|1,0,1]=4 627 B12R1.226 O=C(O)/C=C/C1=NC(=CC=C1)Cl Z1255503511 [1,1,0,0,0,0|1,0,1]=4 628 B12R1.226 O=C(O)C#CC1=CC(=CC=C1)Cl Z1143242523 [1,1,0,0,0,0|0,0,2]=4 629 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [1,1,0,0,0,0|0,0,1]=3 630 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [1,1,0,0,0,0|0,0,1]=3 631 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [1,1,0,0,0,0|0,0,1]=3 632 B12R1.226 O=C(O)CCC1=CC(=CN=C1)F Z1262517660 [1,1,0,0,0,0|1,0,1]=4 633 B12R1.226 O=C(O)CCC1=CC(=CN=C1)O Z1504676734 [1,1,0,0,0,0|1,0,1]=4 634 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl Z274534700 [1,1,0,0,0,0|1,0,1]=4 635 B12R1.226 O=C(O)COC1=CC(=CC=C1)Br Z56812737 [1,1,0,0,0,0|1,0,1]=4 636 B12R1.226 O=C(O)COC1=CC(=CC=C1)Cl Z57008935 [1,1,0,0,0,0|1,0,1]=4 637 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Br Z255149890 [1,1,0,0,0,0|1,0,1]=4 638 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Cl Z994465872 [1,1,0,0,0,0|1,0,1]=4 639 B12R1.226 O=C(O)CSC1=CC(=CC=C1)F Z1198220671 [1,1,0,0,0,0|1,0,1]=4 640 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [1,1,0,0,0,0|1,0,1]=4 641 B12R1.20 C=C(C(=O)O)C1=CC=C(C=C1)Cl Z1255421681 [0,1,0,0,1,0|1,0,0]=3 642 B12R1.20 C=C(C)C(=O)C1=CC=C(C=C1)O Z1513599636 [0,1,0,0,1,0|2,0,0]=4 643 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)Br Z1259342200 [0,1,0,0,1,0|1,0,1]=4 644 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)Cl Z982129848 [0,1,0,0,1,0|1,0,1]=4 645 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F Z792377290 [0,1,0,0,1,0|1,0,1]=4 646 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)I Z1269218602 [0,1,0,0,1,0|1,0,1]=4 647 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)N Z2935001159 [0,1,0,0,1,0|1,0,1]=4 648 B12R1.20 CC1=CC=C(C=C1)C(=O)C(=O)O Z118430526 [0,1,0,0,1,0|0,0,0]=2 649 B12R1.20 CC1=CC=C(C=C1)C(=O)C(O)O Z1263714779 [0,1,0,0,1,0|0,0,2]=4 650 B12R1.20 CC1=CC=C(C=C1)C(C)C(=O)O Z792377274 [0,1,0,0,1,0|1,0,1]=4 651 B12R1.20 CC1=CC=C(C=C1)C(N)C(=O)O Z317024662 [0,1,0,0,1,0|1,0,1]=4 652 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Br Z317024668 [0,1,0,0,1,0|1,0,1]=4 653 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Cl Z317024646 [0,1,0,0,1,0|1,0,1]=4 654 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)F Z317024670 [0,1,0,0,1,0|1,0,1]=4 655 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O Z1198149764 [0,1,0,0,1,0|1,0,1]=4 656 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)F Z1255390982 [0,1,0,0,1,0|1,0,1]=4 657 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O Z1255364887 [0,1,0,0,1,0|1,0,1]=4 658 B12R1.20 O=C(C1=CC=C(C=C1)F)C(O)O Z1263714872 [0,1,0,0,1,0|0,0,2]=4 659 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)Cl Z381360896 [0,1,0,0,1,0|0,0,0]=2 660 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)F Z381360860 [0,1,0,0,1,0|0,0,0]=2 661 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)O Z2472464309 [0,1,0,0,1,0|0,0,0]=2 662 B12R1.20 O=C(O)C(F)C1=CC=C(C=C1)F Z1318255176 [0,1,0,0,1,0|1,0,1]=4 663 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Br Z788000726 [0,1,0,0,1,0|0,0,2]=4 664 B12R1.124 C=C(C(=O)O)C1=C(C=CC=C1)F Z1255374937 [0,1,0,0,1,0|1,0,0]=3 665 B12R1.124 CC(C(=O)O)C1=C(C=CC=C1)Cl Z982130746 [0,1,0,0,1,0|1,0,1]=4 666 B12R1.124 CC(C(=O)O)C1=C(C=CC=C1)F Z792377276 [0,1,0,0,1,0|1,0,1]=4 667 B12R1.124 CC1=C(C=CC=C1)C(C)C(=O)O Z792377258 [0,1,0,0,1,0|1,0,1]=4 668 B12R1.124 CC1=C(C=CC=C1)C(N)C(=O)O Z317024660 [0,1,0,0,1,0|1,0,1]=4 669 B12R1.124 NC(C(=O)O)C1=C(C=CC=C1)Br Z317024716 [0,1,0,0,1,0|1,0,1]=4 670 B12R1.124 NC(C(=O)O)C1=C(C=CC=C1)F Z317024726 [0,1,0,0,1,0|1,0,1]=4 671 B12R1.124 NC(C(=O)O)C1=C(C=CC=C1)I Z2941400819 [0,1,0,0,1,0|1,0,1]=4 672 B12R1.124 O=C(O)C(O)C1=C(C=CC=C1)Br Z788000812 [0,1,0,0,1,0|0,0,2]=4 673 B12R1.124 O=C(O)C(O)C1=C(C=CC=C1)I Z1269111466 [0,1,0,0,1,0|0,0,2]=4 674 B12R1.124 O=C(O)[C@H](O)C1=C(C=CC=C1)Cl Z1255488133 [0,1,0,0,1,0|0,0,2]=4 675 B12R1.225 CC(C(=O)O)C1=CC(=CC=C1)F Z792377330 [0,1,0,0,1,0|1,0,1]=4 676 B12R1.225 CC1=CC(=CC=C1)C(=O)C(=O)O Z1255379743 [0,1,0,0,1,0|0,0,0]=2 677 B12R1.225 CC1=CC(=CC=C1)C(N)C(=O)O Z317024596 [0,1,0,0,1,0|1,0,1]=4 678 B12R1.225 CC1=CC(=CC=C1)C(O)C(=O)O Z788000614 [0,1,0,0,1,0|0,0,2]=4 679 B12R1.225 CC1=CC=CC(=C1)C(C)C(=O)O Z802854000 [0,1,0,0,1,0|1,0,1]=4 680 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)Br Z317024672 [0,1,0,0,1,0|1,0,1]=4 681 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)Cl Z317024654 [0,1,0,0,1,0|1,0,1]=4 682 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)F Z317024592 [0,1,0,0,1,0|1,0,1]=4 683 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)I Z3477438782 [0,1,0,0,1,0|1,0,1]=4 684 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)O Z1532541074 [0,1,0,0,1,0|1,0,1]=4 685 B12R1.225 NC1=CC(=CC=C1)C(O)C(=O)O Z1262512603 [0,1,0,0,1,0|0,0,2]=4 686 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)Br Z788000730 [0,1,0,0,1,0|0,0,2]=4 687 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)Cl Z788000712 [0,1,0,0,1,0|0,0,2]=4 688 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)F Z788000610 [0,1,0,0,1,0|0,0,2]=4 689 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)I Z1269151011 [0,1,0,0,1,0|0,0,2]=4 690 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 Z104493600 [0,1,0,0,1,0|1,0,1]=4 691 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 Z600397716 [0,1,0,0,1,0|1,0,1]=4 692 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 Z336127660 [0,1,0,0,1,0|0,0,2]=4 693 B12R1.253 C[C@@](O)(C(=O)O)C1=CC=CC=C1 Z1154245575 [0,1,0,0,1,0|0,0,2]=4 694 B12R1.253 C[C@](O)(C(=O)O)C1=CC=CC=C1 Z1119104455 [0,1,0,0,1,0|0,0,2]=4 695 B12R1.253 O=C(O)C(F)(F)C1=CC=CC=C1 Z56770330 [0,1,0,0,1,0|1,0,1]=4 696 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 Z104479150 [0,1,0,0,1,0|1,0,1]=4 697 B12R1.478 CNC(C(=O)O)C1=CC=CC=C1 Z1259273212 [0,1,0,0,1,0|1,0,1]=4 698 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 Z316258914 [0,1,0,0,1,0|0,0,2]=4 699 B12R1.478 CSC(C(=O)O)C1=CC=CC=C1 Z732206604 [0,1,0,0,1,0|0,1,1]=4 700 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 Z1913661007 [0,1,0,0,1,0|1,0,1]=4 701 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 Z1080722424 [0,1,0,0,1,0|0,0,2]=4 702 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 Z1262510670 [0,1,0,0,1,0|0,0,2]=4 703 B14R1.337 CC(=O)CC(=O)NC1=C(C=CC=C1)C Z57708665 [0,1,0,0,0,1|2,0,0]=4 704 B14R1.337 CC(=O)CC(=O)NC1=C(C=CC=C1)F Z56943762 [0,1,0,0,0,1|2,0,0]=4 705 B14R1.337 CN(CC(=O)O)CC1=C(C=CC=C1)Cl Z1459900399 [0,1,0,0,0,1|2,0,0]=4 706 B14R1.337 O=C(O)CC(=O)NC1=C(C=CC=C1)O Z1262513035 [0,1,0,0,0,1|1,0,0]=3 707 B14R1.417 NC(=O)NC(=O)C(Cl)C1=CC=CC=C1 Z57000477 [0,1,0,0,0,1|1,0,0]=3 708 B14R1.425 CC(=O)C(Cl)C(=O)NC1=CC=CC=C1 Z56888597 [0,1,0,0,0,1|2,0,0]=4 709 B14R1.425 CC(C(=O)O)N(C)CC1=CC=CC=C1 Z359351934 [0,1,0,0,0,1|2,0,0]=4 710 B14R1.425 C[C@@H](C(=O)O)N(C)CC1=CC=CC=C1 Z1198157192 [0,1,0,0,0,1|2,0,0]=4 711 B14R1.425 NC(C(=O)O)C(O)CC1=CC=CC=C1 Z1262524640 [0,1,0,0,0,1|0,0,2]=4 712 B14R1.549 CCC(CC(=O)O)CC1=CC=CC=C1 Z1262513310 [0,1,0,0,0,1|1,0,1]=4 713 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C=C1)Br Z56862370 [0,1,0,0,0,1|2,0,0]=4 714 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C=C1)F Z56887715 [0,1,0,0,0,1|2,0,0]=4 715 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C=C1)I Z57515051 [0,1,0,0,0,1|2,0,0]=4 716 B14R1.698 CC(CC(=O)O)CC1=CC=C(C=C1)Cl Z1269212618 [0,1,0,0,0,1|1,0,1]=4 717 B14R1.698 CC1=CC=C(C=C1)CN(C)CC(=O)O Z1459900471 [0,1,0,0,0,1|2,0,0]=4 718 B14R1.743 C=CC(=O)NC(=O)NC1=CC=CC=C1 Z147647074 [0,1,0,0,0,1|2,0,0]=4 719 B14R1.743 CCC(=O)CC(=O)NC1=CC=CC=C1 Z1255459527 [0,1,0,0,0,1|2,0,0]=4 720 B14R1.743 COC(=O)NC(C)CC1=CC=CC=C1 Z1509182330 [0,1,0,0,0,1|1,0,1]=4 721 B14R1.743 N/C(=N\O)/CC(=O)NC1=CC=CC=C1 Z57965538 [0,1,0,0,0,1|2,0,0]=4 722 B14R1.743 O=C(CCl)NC(=O)CC1=CC=CC=C1 Z56893176 [0,1,0,0,0,1|1,0,0]=3 723 B14R1.743 O=C(CCl)NC(=O)NC1=CC=CC=C1 Z99601220 [0,1,0,0,0,1|2,0,0]=4 724 B14R1.1485 CC(C)(CC(=O)O)CC1=CC=CC=C1 Z1251359785 [0,1,0,0,0,1|1,0,1]=4 725 B14R1.1485 O=C(O)CS(=O)(=O)CC1=CC=NC=C1 Z295402408 [0,1,0,0,0,1|2,0,0]=4 726 B14R1.1485 O=C(O)CS(=O)(=O)CC1=CN=CC=C1 Z1170245064 [0,1,0,0,0,1|2,0,0]=4 727 B14R1.1485 O=C(O)CS(=O)(=O)CC1=NC=CC=C1 Z406679912 [0,1,0,0,0,1|2,0,0]=4 728 B14R1.5978 CC(=O)CC(=O)NC1=CC(=CC=C1)Br Z57515041 [0,1,0,0,0,1|2,0,0]=4 729 B14R1.5978 CC(=O)CC(=O)NC1=CC(=CC=C1)C Z56887621 [0,1,0,0,0,1|2,0,0]=4 730 B14R1.5978 CC(=O)CC(=O)NC1=CC(=CC=C1)Cl Z56887763 [0,1,0,0,0,1|2,0,0]=4 731 B14R1.5978 CC(=O)CC(=O)NC1=CC(=CC=C1)F Z57515199 [0,1,0,0,0,1|2,0,0]=4 732 B14R1.5978 CC(CC(=O)O)CC1=CC(=CC=C1)F Z1295543728 [0,1,0,0,0,1|1,0,1]=4 733 B14R1.5978 CN(CC(=O)O)CC1=CC(=CC=C1)Cl Z1459897420 [0,1,0,0,0,1|2,0,0]=4 734 B14R1.161 C=C(COC1=C(C=CC=C1)I)C(=O)O Z1197868436 [0,1,0,0,0,1|1,0,0]=3 735 B14R1.161 CC(CCC1=C(C=CC=C1)F)C(=O)O Z1218936074 [0,1,0,0,0,1|1,0,1]=4 736 B14R1.161 CC(NCC1=C(C=CC=C1)Cl)C(=O)O Z432066860 [0,1,0,0,0,1|1,0,1]=4 737 B14R1.161 CC1=C(C=CC=C1)CNC(C)C(=O)O Z425414584 [0,1,0,0,0,1|1,0,1]=4 738 B14R1.161 CC1=C(C=CC=C1)COC(C)C(=O)O Z1714302638 [0,1,0,0,0,1|1,0,1]=4 739 B14R1.415 CC(CC(N)C(=O)O)C1=CC=CC=C1 Z3018664835 [0,1,0,0,0,1|1,0,1]=4 740 B14R1.415 CC(NC(=O)C(=O)O)C1=CC=CC=C1 Z424779000 [0,1,0,0,0,1|0,0,0]=2 741 B14R1.415 CC(NC(C)C1=CC=CC=C1)C(=O)O Z1762658315 [0,1,0,0,0,1|1,0,1]=4 742 B14R1.415 CN(CC(N)C(=O)O)C1=CC=CC=C1 Z854090074 [0,1,0,0,0,1|1,0,1]=4 743 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O Z1459947400 [0,1,0,0,0,1|1,0,1]=4 744 B14R1.679 C=C(COC1=CC=C(C=C1)Br)C(=O)O Z1197868030 [0,1,0,0,0,1|1,0,0]=3 745 B14R1.679 C=C(COC1=CC=C(C=C1)C)C(=O)O Z1197868140 [0,1,0,0,0,1|1,0,0]=3 746 B14R1.679 C=C(COC1=CN=C(C=C1)F)C(=O)O Z3674621895 [0,1,0,0,0,1|2,0,0]=4 747 B14R1.679 CC(CSC1=CC=C(C=C1)F)C(=O)O Z431541816 [0,1,0,0,0,1|1,0,1]=4 748 B14R1.679 CC(NCC1=CC=C(C=C1)F)C(=O)O Z363997798 [0,1,0,0,0,1|1,0,1]=4 749 B14R1.679 CC(OCC1=CC=C(C=C1)F)C(=O)O Z1262558351 [0,1,0,0,0,1|1,0,1]=4 750 B14R1.679 CC(SCC1=CC=C(C=C1)Br)C(=O)O Z18753942 [0,1,0,0,0,1|1,0,1]=4 751 B14R1.679 CC1=CC=C(C=C1)COC(C)C(=O)O Z1714301562 [0,1,0,0,0,1|1,0,1]=4 752 B14R1.679 NC(CCC1=CC=C(C=C1)Br)C(=O)O Z4310725393 [0,1,0,0,0,1|1,0,1]=4 753 B14R1.679 NC1=CC=C(C=C1)SCC(N)C(=O)O Z1263568367 [0,1,0,0,0,1|1,0,1]=4 754 B14R1.679 O=C(O)C(=O)/C=C/C1=CC=C(C=C1)F Z2065904031 [0,1,0,0,0,1|0,0,1]=3 755 B14R1.679 O=C(O)C(=O)NCC1=CC=C(C=C1)F Z424779476 [0,1,0,0,0,1|0,0,0]=2 756 B14R1.756 CNC(=O)C(=O)NNC1=CC=CC=C1 Z1509156803 [0,1,0,0,0,1|2,0,0]=4 757 B14R1.756 COC(=O)C(C)NCC1=CC=CC=C1 Z727800518 [0,1,0,0,0,1|1,0,1]=4 758 B14R1.756 NC(CO)C(=O)OCC1=CC=CC=C1 Z2418413533 [0,1,0,0,0,1|1,0,1]=4 759 B14R1.5956 C=C(COC1=CC(=CC=C1)Br)C(=O)O Z1197868056 [0,1,0,0,0,1|1,0,0]=3 760 B14R1.5956 C=C(COC1=CC(=CC=C1)Cl)C(=O)O Z1197868060 [0,1,0,0,0,1|1,0,0]=3 761 B14R1.5956 CC(CCC1=CC(=CC=C1)F)C(=O)O Z1259341391 [0,1,0,0,0,1|1,0,1]=4 762 B14R1.5956 CC(NCC1=CC(=CC=C1)F)C(=O)O Z426041634 [0,1,0,0,0,1|1,0,1]=4 763 B14R1.6395 CC(N)(CCC1=CC=CC=C1)C(=O)O Z594271932 [0,1,0,0,0,1|1,0,1]=4 764 B14R1.6395 CC(O)(CCC1=CC=CC=C1)C(=O)O Z788000488 [0,1,0,0,0,1|0,0,2]=4 765 B14R1.3 CC(CC1=CC=C(C=C1)C#N)C(=O)O Z1198652586 [0,2,0,0,0,0|1,0,1]=4 766 B14R1.3 COC1=CC=C(C=C1)CC(C)C(=O)O Z513659616 [0,2,0,0,0,0|1,0,1]=4 767 B14R1.3 COC1=CC=C(C=C1)CC(O)C(=O)O Z1198174222 [0,2,0,0,0,0|0,0,2]=4 768 B14R1.3 COC1=CC=C(C=C1)NC(=O)C(=O)O Z90122504 [0,2,0,0,0,0|1,0,0]=3 769 B14R1.3 CSC1=CC=C(C=C1)CC(N)C(=O)O Z1695906941 [0,2,0,0,0,0|1,0,1]=4 770 B14R1.132 CC(C(=O)O)C(N)C1=CC=C(C=C1)Br Z1895583549 [0,2,0,0,0,0|1,0,1]=4 771 B14R1.132 CC1=CC=C(C=C1)C(C)C(O)C(=O)O Z1271904593 [0,2,0,0,0,0|0,0,2]=4 772 B14R1.134 CC1=CC=C(C=C1)NC(=O)C(=O)NN Z57331388 [0,2,0,0,0,0|2,0,0]=4 773 B14R1.134 COC(=O)C(=O)NC1=CC=C(C=C1)C Z285919732 [0,2,0,0,0,0|1,0,0]=3 774 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)F Z1511495088 [0,2,0,0,0,0|1,0,1]=4 775 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)O Z57000505 [0,2,0,0,0,0|1,0,1]=4 776 B14R1.134 COC(=O)N(C)CC1=CC=C(C=C1)N Z425368560 [0,2,0,0,0,0|2,0,0]=4 777 B14R1.536 CC1=CC=C(C=C1)/C=C(/C#N)\C(=O)O Z44303450 [0,2,0,0,0,0|1,0,1]=4 778 B14R1.536 CC1=CC=C(C=C1)CC(CN)C(=O)O Z1478043848 [0,2,0,0,0,0|1,0,1]=4 779 B14R1.536 CCC(CC1=CC=C(C=C1)N)C(=O)O Z1262539468 [0,2,0,0,0,0|1,0,1]=4 780 B14R1.536 N#C/C(=C/C1=CC=C(C=C1)Cl)/C(=O)O Z44303386 [0,2,0,0,0,0|1,0,1]=4 781 B14R1.536 N#C/C(=C/C1=CC=C(C=C1)F)/C(=O)O Z44303394 [0,2,0,0,0,0|1,0,1]=4 782 B14R1.536 N#C/C(=C/C1=CC=C(C=C1)O)/C(=O)O Z44303375 [0,2,0,0,0,0|1,0,1]=4 783 B14R1.536 NCC(CC1=CC=C(C=C1)Cl)C(=O)O Z1222331429 [0,2,0,0,0,0|1,0,1]=4 784 B14R1.686 C/C(=C\C1=CC(=C(C=C1)F)F)/C(=O)O Z2757550092 [0,2,0,0,0,0|1,0,1]=4 785 B14R1.686 CC(CC1=CC(=C(C=C1)F)Br)C(=O)O Z756390562 [0,2,0,0,0,0|1,0,1]=4 786 B14R1.686 CC(CC1=CC(=C(C=C1)F)F)C(=O)O Z1341747667 [0,2,0,0,0,0|1,0,1]=4 787 B14R1.686 CC(CC1=CC(=C(C=C1)O)O)C(=O)O Z1198162859 [0,2,0,0,0,0|1,0,1]=4 788 B14R1.686 CC1=C(C=C(C=C1)CC(N)C(=O)O)C Z2238618571 [0,2,0,0,0,0|1,0,1]=4 789 B14R1.686 CC1=C(C=C(C=C1)CC(S)C(=O)O)C Z57982188 [0,2,0,0,0,0|0,1,1]=4 790 B14R1.686 CC1=C(C=C(C=C1)NC(=O)C(=O)O)C Z57980332 [0,2,0,0,0,0|1,0,0]=3 791 B14R1.686 NC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)O Z317025744 [0,2,0,0,0,0|1,0,1]=4 792 B14R1.686 NC(CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5185412106 [0,2,0,0,0,0|1,0,1]=4 793 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)Br)C(=O)O Z1269188313 [0,2,0,0,0,0|1,0,1]=4 794 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)I)C(=O)O Z1269198907 [0,2,0,0,0,0|1,0,1]=4 795 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z756440064 [0,2,0,0,0,0|1,0,1]=4 796 B14R1.686 N[C@H](CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5212272143 [0,2,0,0,0,0|1,0,1]=4 797 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z1255419382 [0,2,0,0,0,0|1,0,1]=4 798 B14R1.686 O=C(O)C(=O)CC1=CC(=C(C=C1)Cl)Cl Z234896633 [0,2,0,0,0,0|0,0,0]=2 799 B14R1.6049 CC(CC1=C(C=C(C=C1)Cl)Cl)C(=O)O Z756390528 [0,2,0,0,0,0|1,0,1]=4 800 B14R1.6049 NC(CC1=C(C=C(C=C1)F)F)C(=O)O Z3847441641 [0,2,0,0,0,0|1,0,1]=4 801 B14R1.7626 CC(C)(CC1=CC=C(C=C1)Br)C(=O)O Z995179700 [0,2,0,0,0,0|1,0,1]=4 802 B14R1.7626 CC(C)(CC1=CC=C(C=C1)Cl)C(=O)O Z995179626 [0,2,0,0,0,0|1,0,1]=4 803 B14R1.7626 CC(C)(CC1=CC=C(C=C1)O)C(=O)O Z1376887330 [0,2,0,0,0,0|1,0,1]=4 804 B14R1.7626 CC(N)(CC1=CC=C(C=C1)Br)C(=O)O Z2786605576 [0,2,0,0,0,0|1,0,1]=4 805 B14R1.7626 CC(N)(CC1=CC=C(C=C1)F)C(=O)O Z2734797269 [0,2,0,0,0,0|1,0,1]=4 806 B14R1.7626 C[C@](N)(CC1=CC=C(C=C1)O)C(=O)O Z1255434943 [0,2,0,0,0,0|1,0,1]=4 807 B14R1.60 CCOC(=O)C(=O)CC1=CC=NC=C1 Z444841612 [0,2,0,0,0,0|1,0,0]=3 808 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 Z56755839 [0,2,0,0,0,0|1,0,0]=3 809 B14R1.60 CCOC(=O)C(N)CC1=CC=CC=C1 Z223645256 [0,2,0,0,0,0|1,0,1]=4 810 B14R1.60 CCOC(=O)C(O)CC1=CC=CC=C1 Z965048074 [0,2,0,0,0,0|0,0,2]=4 811 B14R1.85 C=C(C(=O)OC)C(O)C1=CC=NC=C1 Z320967548 [0,2,0,0,0,0|2,0,0]=4 812 B14R1.85 C=C(C(=O)OC)C(O)C1=NC=CC=C1 Z320967362 [0,2,0,0,0,0|2,0,0]=4 813 B14R1.85 COC(=O)C(=O)C(Cl)C1=CC=CC=C1 Z1245785005 [0,2,0,0,0,0|0,0,0]=2 814 B14R1.85 COC(=O)C(C)C(N)C1=CC=CC=C1 Z1324054896 [0,2,0,0,0,0|1,0,1]=4 815 B14R1.85 COC(=O)C(N)C(C)C1=CC=CC=C1 Z3021703696 [0,2,0,0,0,0|1,0,1]=4 816 B14R1.135 COC(=O)C(F)CC1=CC(=CC=C1)N Z4544308432 [0,2,0,0,0,0|1,0,1]=4 817 B14R1.135 COC(=O)C(N)CC1=CC(=CC=C1)Br Z3333650468 [0,2,0,0,0,0|1,0,1]=4 818 B14R1.135 COC(=O)C(N)CC1=CC(=CC=C1)Cl Z4790981271 [0,2,0,0,0,0|1,0,1]=4 819 B14R1.1007 COC(=O)C(N)CC1=C(C=CC=C1)Br Z2937135494 [0,2,0,0,0,0|1,0,1]=4 820 B14R1.1007 COC(=O)C(N)CC1=C(C=CC=C1)O Z2418413784 [0,2,0,0,0,0|1,0,1]=4 821 B14R1.1031 CNC(CC1=CC=CC=C1)C(=O)OC Z3045559913 [0,2,0,0,0,0|1,0,1]=4 822 B14R1.1031 COC(=O)C(CO)CC1=CC=CC=C1 Z356300486 [0,2,0,0,0,0|0,0,2]=4 823 B14R1.75 COC1=CC(=CC=C1)/C=C(\C)/C(=O)O Z57229610 [0,2,0,0,0,0|1,0,1]=4 824 B14R1.75 COC1=CC(=CC=C1)CC(=O)C(=O)O Z271004522 [0,2,0,0,0,0|0,0,0]=2 825 B14R1.75 COC1=CC(=CC=C1)CC(N)C(=O)O Z317024998 [0,2,0,0,0,0|1,0,1]=4 826 B14R1.75 COC1=CC(=CC=C1)CC(O)C(=O)O Z1255373702 [0,2,0,0,0,0|0,0,2]=4 827 B14R1.542 CC1=CC(=CC=C1)CC(CN)C(=O)O Z1473553886 [0,2,0,0,0,0|1,0,1]=4 828 B14R1.542 CCC(CC1=CC(=CC=C1)Br)C(=O)O Z513660416 [0,2,0,0,0,0|1,0,1]=4 829 B14R1.542 NCC(CC1=CC(=CC=C1)Cl)C(=O)O Z1222278653 [0,2,0,0,0,0|1,0,1]=4 830 B14R1.542 NCC(CC1=CC(=CC=C1)O)C(=O)O Z2690874822 [0,2,0,0,0,0|1,0,1]=4 831 B14R1.4257 CC1=CC(=CC(=C1)CC(N)C(=O)O)C Z1259273092 [0,2,0,0,0,0|1,0,1]=4 832 B14R1.4257 NC(CC1=CC(=CC(=C1)Cl)Cl)C(=O)O Z1416200972 [0,2,0,0,0,0|1,0,1]=4 833 B14R1.4257 NC1=CC(=CC(=C1)CC(N)C(=O)O)N Z3282761044 [0,2,0,0,0,0|1,0,1]=4 834 B14R1.4257 O=C(O)C(O)CC1=CC(=CC(=C1)Cl)Cl Z1813095346 [0,2,0,0,0,0|0,0,2]=4 835 B14R1.4404 CC(C)(CC1=CC(=CC=C1)Cl)C(=O)O Z995179628 [0,2,0,0,0,0|1,0,1]=4 836 B14R1.4474 NC(=O)C(=O)NC1=C(C=CC(=C1)F)F Z1591117444 [0,2,0,0,0,0|2,0,0]=4 837 B14R1.4474 NC(CC1=C(C=CC(=C1)Cl)Cl)C(=O)O Z5010675411 [0,2,0,0,0,0|1,0,1]=4 838 B14R1.6391 CC(C1=CC=CC=C1)C(C)(O)C(=O)O Z1313537189 [0,2,0,0,0,0|0,0,2]=4 839 B14R1.6391 CC(O)(C(=O)O)C(N)C1=CC=CC=C1 Z2472856662 [0,2,0,0,0,0|0,0,2]=4 840 B14R1.6391 O=C(O)C(F)(F)C(O)C1=CC=CC=C1 Z982139262 [0,2,0,0,0,0|1,0,1]=4 841 B14R1.550 CC1=C(C=CC=C1)CC(CN)C(=O)O Z1473552195 [0,2,0,0,0,0|1,0,1]=4 842 B14R1.550 CCC(CC1=C(C=CC=C1)Br)C(=O)O Z513661534 [0,2,0,0,0,0|1,0,1]=4 843 B14R1.550 CCC(CC1=C(C=CC=C1)C)C(=O)O Z513660864 [0,2,0,0,0,0|1,0,1]=4 844 B14R1.550 NCC(CC1=C(C=CC=C1)Cl)C(=O)O Z1222331404 [0,2,0,0,0,0|1,0,1]=4 845 B14R1.3135 NCC1=C(C=CC=C1)CC(N)C(=O)O Z3210773710 [0,2,0,0,0,0|1,0,1]=4 846 B14R1.5882 CC(C)(CC1=C(C=CC=C1)Br)C(=O)O Z995179654 [0,2,0,0,0,0|1,0,1]=4 847 B14R1.5882 CC(N)(CC1=C(C=CC=C1)Br)C(=O)O Z4494019497 [0,2,0,0,0,0|1,0,1]=4 848 B14R1.5971 C/C(=C\C1=C(C=CC=C1Cl)Cl)/C(=O)O Z1695926071 [0,2,0,0,0,0|1,0,1]=4 849 B14R1.5971 CC1=CC=CC(=C1NC(=O)C(=O)O)C Z424779524 [0,2,0,0,0,0|1,0,0]=3 850 B14R1.5971 NC(CC1=C(C=CC=C1F)Cl)C(=O)O Z821053942 [0,2,0,0,0,0|1,0,1]=4 851 B14R1.5971 O=C(O)C(O)CC1=C(C=CC=C1F)Cl Z1269030527 [0,2,0,0,0,0|0,0,2]=4 852 B14R1.980 CCNC(CC1=CC=CC=C1)C(=O)O Z446012696 [0,2,0,0,0,0|1,0,1]=4 853 B14R1.4513 CC(C)C(CC1=CC=CC=C1)C(=O)O Z756391626 [0,2,0,0,0,0|1,0,1]=4 854 B14R1.4513 CN(C)C(CC1=CC=CC=C1)C(=O)O Z448003214 [0,2,0,0,0,0|1,0,1]=4 855 B14R1.4513 O=C(O)C(CC1=CC=CC=C1)C(=O)O Z56924540 [0,2,0,0,0,0|0,0,1]=3 856 B14R1.8844 CC(CN)(CC1=CC=CC=C1)C(=O)O Z1255428184 [0,2,0,0,0,0|1,0,1]=4 857 B12R1.264 O=C(O)C(=O)/C=C/C1=CC=CS1 Z104378004 [0,0,1,1,0,0|1,0,1]=4 858 B12R2.18 CC1CC2=C(C1=O)C=CC=C2 Z854042930 [1,0,0,1,0,0|1,0,1]=4 859 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 Z56899025 [1,0,0,1,0,0|2,0,0]=4 860 B12R2.18 NC1CC2=C(C1=O)C=CC=C2 Z1551475987 [1,0,0,1,0,0|1,0,1]=4 861 B12R2.18 NN1CC2=C(C1=O)C=CC=C2 Z1953500024 [1,0,0,1,0,0|2,0,0]=4 862 B12R2.18 O=C1C2=C(C=CC=C2)CC1Cl Z854067258 [1,0,0,1,0,0|1,0,1]=4 863 B12R2.18 O=C1NC2=C(C1=O)C=CC=C2 Z57127903 [1,0,0,1,0,0|1,0,0]=3 864 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 Z335244966 [1,0,0,1,0,0|1,0,1]=4 865 B12R2.18 O=C1NC2=C(N1O)C=CC=C2 Z1416184382 [1,0,0,1,0,0|2,0,0]=4 866 B12R2.18 O=C1SC2=C(C1=O)C=CC=C2 Z1198153623 [1,0,0,1,0,0|1,0,0]=3 867 B12R2.24 O=C1C=CC2=C(N1)C=CC=C2 Z57473020 [1,0,0,1,0,0|2,0,0]=4 868 B12R2.24 O=C1C=CC2=C(O1)C=CC=C2 Z57169486 [1,0,0,1,0,0|2,0,0]=4 869 B12R2.24 O=C1C=NC2=C(N1)C=CC=C2 Z56824051 [1,0,0,1,0,0|2,0,0]=4 870 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 Z1201622353 [1,0,0,1,0,0|2,0,0]=4 871 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 Z1255486033 [1,0,0,1,0,0|2,0,0]=4 872 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 Z104495562 [1,0,0,1,0,0|1,0,1]=4 873 B12R2.24 O=C1COC2=C(N1)C=CC=C2 Z56989567 [1,0,0,1,0,0|1,0,1]=4 874 B12R2.27 O=C[C@@H]1C[C@H]1C2=CC=CC=C2 Z2298064271 [1,0,0,1,0,0|1,0,1]=4 875 B12R2.32 O=CC1=CC2=C(N1)C=CC=C2 Z1203160203 [1,0,0,1,0,0|1,0,1]=4 876 B12R2.32 O=CC1=CC2=C(O1)C=CC=C2 Z147641868 [1,0,0,1,0,0|0,0,2]=4 877 B12R2.32 O=CC1=CC2=C(S1)C=CC=C2 Z1741961424 [1,0,0,1,0,0|0,1,1]=4 878 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 Z57114985 [1,0,0,1,0,0|2,0,0]=4 879 B12R2.32 O=CC1=NC2=C(O1)C=CC=C2 Z1198162173 [1,0,0,1,0,0|1,0,1]=4 880 B12R2.32 O=CC1=NC2=C(S1)C=CC=C2 Z276151160 [1,0,0,1,0,0|1,1,0]=4 881 B12R2.32 O=CC1CC2=C(C1)C=CC=C2 Z1255436588 [1,0,0,1,0,0|1,0,1]=4 882 B12R2.32 O=CN1CC2=C(C1)C=CC=C2 Z1216818057 [1,0,0,1,0,0|2,0,0]=4 883 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 Z336080338 [1,0,0,1,0,0|1,0,1]=4 884 B12R2.22 O=C1CC(N1)C2=CC=CC=C2 Z367677412 [1,0,0,1,0,0|1,0,1]=4 885 B14R2.19 NC1=CC(=NO1)CC2=CC=CC=C2 Z1255417836 [0,0,0,1,0,1|2,0,0]=4 886 B14R2.19 O=C1NC(=NO1)CC2=CC=NC=C2 Z992946060 [0,0,0,1,0,1|2,0,0]=4 887 B14R2.19 O=C1NN=C(N1)CC2=CC=CC=C2 Z1217215136 [0,0,0,1,0,1|2,0,0]=4 888 B14R2.19 O=C1NN=C(O1)CC2=CC=CC=C2 Z1206172055 [0,0,0,1,0,1|2,0,0]=4 889 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 Z1222283104 [0,0,0,1,0,1|1,0,1]=4 890 B14R2.19 SC1=NC(=NO1)CC2=CC=CC=C2 Z1065635888 [0,0,0,1,0,1|1,1,0]=4 891 B14R2.598 O=C1CC(=O)N(C1)C2=CC=CC=C2 Z1331290848 [0,0,0,1,0,1|2,0,0]=4 892 B14R2.598 O=C1CC(=O)N(N1)C2=CC=CC=C2 Z57475324 [0,0,0,1,0,1|2,0,0]=4 893 B14R2.598 O=C1CC(C(=O)N1)C2=CC=CC=C2 Z104341276 [0,0,0,1,0,1|1,0,0]=3 894 B14R2.598 O=C1CC(C(=O)O1)C2=CC=CC=C2 Z99601248 [0,0,0,1,0,1|1,0,0]=3 895 B14R2.598 O=C1CN(C(=O)N1)C2=CC=CC=C2 Z57138521 [0,0,0,1,0,1|2,0,0]=4 896 B14R2.598 O=C1NC(=O)C(N1)C2=CC=CC=C2 Z57474290 [0,0,0,1,0,1|1,0,0]=3 897 B14R2.598 O=C1NC(=O)C(O1)C2=CC=CC=C2 Z1198149953 [0,0,0,1,0,1|0,0,0]=2 898 B14R2.598 O=C1NC(=O)N(N1)C2=CC=CC=C2 Z55928831 [0,0,0,1,0,1|2,0,0]=4 899 B14R2.642 CC1=C(C2=C(N1)C=CC=C2)C(=O)O Z147652322 [0,0,0,1,0,1|2,0,0]=4 900 B14R2.642 CC1=C(C2=C(O1)C=CC=C2)C(=O)O Z1198157052 [0,0,0,1,0,1|2,0,0]=4 901 B14R2.642 O=C(O)C1=C(OC2=C1C=CC=C2)Cl Z1813244866 [0,0,0,1,0,1|2,0,0]=4 902 B14R2.642 O=C(O)C1=C(SC2=C1C=CC=C2)Br Z2044811851 [0,0,0,1,0,1|2,0,0]=4 903 B14R2.738 O=C1CC(=O)NC2=C(N1)C=CC=C2 Z204013178 [0,0,0,1,0,1|2,0,0]=4 904 B14R2.764 O=C(O)C1CC1CC2=CC=CC=C2 Z979743464 [0,0,0,1,0,1|1,0,1]=4 905 B14R2.768 O=C(O)CC1=CC2=C(C1)C=CC=C2 Z1262511318 [0,0,0,1,0,1|1,0,0]=3 906 B14R2.768 O=C(O)CC1=CC2=C(O1)C=CC=C2 Z235569554 [0,0,0,1,0,1|0,0,2]=4 907 B14R2.768 O=C(O)CC1=CC2=C(S1)C=CC=C2 Z1198265898 [0,0,0,1,0,1|0,1,1]=4 908 B14R2.768 O=C(O)CC1=NC2=C(S1)C=CC=C2 Z57055798 [0,0,0,1,0,1|1,1,0]=4 909 B14R2.768 O=C(O)CN1CC2=C(C1)C=CC=C2 Z57335261 [0,0,0,1,0,1|2,0,0]=4 910 B14R2.4586 CC1C(C1C2=CC=CC=C2)C(=O)O Z1262523517 [0,0,0,1,0,1|1,0,1]=4 911 B14R2.260 O=C1CC(CC1=O)C2=CC=CC=C2 Z1513607985 [0,0,0,1,0,1|1,0,0]=3 912 B14R2.260 O=C1NC(CC1O)C2=CC=CC=C2 Z1509163936 [0,0,0,1,0,1|1,0,1]=4 913 B14R2.779 O=C(O)C1CC(C1)C2=CC=CC=C2 Z858585502 [0,0,0,1,0,1|1,0,1]=4 914 B14R2.781 CC(=O)C1=CC2=C(C=CC=C2)OC1 Z1198157399 [0,0,0,1,0,1|2,0,0]=4 915 B14R2.781 NC(=O)C1=CC2=C(C=CC=C2)OC1 Z145120524 [0,0,0,1,0,1|2,0,0]=4 916 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=C1 Z104475600 [0,0,0,1,0,1|1,0,1]=4 917 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)N=C1 Z838909446 [0,0,0,1,0,1|1,0,1]=4 918 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 Z104473458 [0,0,0,1,0,1|1,0,1]=4 919 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)N=N1 Z1198311707 [0,0,0,1,0,1|2,0,0]=4 920 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=C1 Z1198150075 [0,0,0,1,0,1|1,0,1]=4 921 B14R2.781 O=C(O)C1=NN=C2C=CC=CC2=C1 Z246671302 [0,0,0,1,0,1|2,0,0]=4 922 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 Z56822177 [0,0,0,1,0,1|1,0,1]=4 923 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CO1 Z1255464869 [0,0,0,1,0,1|1,0,1]=4 924 B14R2.781 O=C(O)C1CCC2=C(C1)C=CC=C2 Z792377344 [0,0,0,1,0,1|1,0,1]=4 925 B14R2.781 O=C(O)C1CCC2=C(N1)C=CC=C2 Z2724443277 [0,0,0,1,0,1|1,0,1]=4 926 B14R2.781 O=C(O)C1CCC2=C(O1)C=CC=C2 Z1198148530 [0,0,0,1,0,1|0,0,2]=4 927 B14R2.781 O=C(O)C1CNC2=C(C1)C=CC=C2 Z3241252785 [0,0,0,1,0,1|1,0,1]=4 928 B14R2.781 O=C(O)C1CNC2=C(O1)C=CC=C2 Z90669210 [0,0,0,1,0,1|0,0,2]=4 929 B14R2.781 O=C(O)C1COC2=C(O1)C=CC=C2 Z56839652 [0,0,0,1,0,1|0,0,2]=4 930 B14R2.781 O=C(O)C1CSC2=C(O1)C=CC=C2 Z916847046 [0,0,0,1,0,1|0,0,2]=4 931 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 Z762926698 [0,0,0,1,0,1|1,0,1]=4 932 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 Z359370254 [0,0,0,1,0,1|1,0,1]=4 933 B14R2.786 C[C@@]1(C[C@@H]1C2=CC=CC=C2)C(=O)O Z2298158000 [0,0,0,1,0,1|1,0,1]=4 934 B14R2.9535 CC1(CCC2=C1C=CC=C2)C(=O)O Z1259317290 [0,0,0,1,0,1|1,0,1]=4 935 B14R2.9535 NC1(CCC2=C1C=CC=C2)C(=O)O Z234896489 [0,0,0,1,0,1|1,0,1]=4 936 B14R2.4402 CC1=CC=C(C=C1)C2CC2C(=O)O Z450468392 [0,1,0,1,0,0|1,0,1]=4 937 B14R2.4402 NC1=CC=C(C=C1)[C@@H]2C[C@H]2C(=O)O Z2309896677 [0,1,0,1,0,0|1,0,1]=4 938 B14R2.4402 O=C(O)C1CC1C2=CC=C(C=C2)Br Z450468406 [0,1,0,1,0,0|1,0,1]=4 939 B14R2.4402 O=C(O)C1CC1C2=CC=C(C=C2)F Z203244232 [0,1,0,1,0,0|1,0,1]=4 940 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(C=C2)Cl Z2306910175 [0,1,0,1,0,0|1,0,1]=4 941 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(C=C2)F Z2327124588 [0,1,0,1,0,0|1,0,1]=4 942 B14R2.4529 CC1=CC2=C(C=C1)C=C(N2)C(=O)O Z119989628 [0,1,0,1,0,0|1,0,1]=4 943 B14R2.4529 CC1=CC2=C(C=C1)CC(S2)C(=O)O Z223677100 [0,1,0,1,0,0|0,1,1]=4 944 B14R2.4529 CC1=CC2=C(C=C1)NC(=C2)C(=O)O Z235352033 [0,1,0,1,0,0|1,0,1]=4 945 B14R2.4529 CC1=CC2=C(C=C1)OC(=C2)C(=O)O Z274568060 [0,1,0,1,0,0|0,0,2]=4 946 B14R2.4529 CC1=CC2=C(C=C1)SC(=C2)C(=O)O Z1201623026 [0,1,0,1,0,0|0,1,1]=4 947 B14R2.4529 NC1=CC2=C(C=C1)NC(=C2)C(=O)O Z1198179704 [0,1,0,1,0,0|1,0,1]=4 948 B14R2.4529 NC1=CC2=C(C=C1)NC(C2)C(=O)O Z3325140518 [0,1,0,1,0,0|1,0,1]=4 949 B14R2.4529 NC1=CC2=C(C=C1)OC(=C2)C(=O)O Z426041472 [0,1,0,1,0,0|0,0,2]=4 950 B14R2.4529 NC1=CC2=C(C=C1)SC(=C2)C(=O)O Z406715302 [0,1,0,1,0,0|0,1,1]=4 951 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Br Z119989542 [0,1,0,1,0,0|1,0,1]=4 952 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Cl Z119990438 [0,1,0,1,0,0|1,0,1]=4 953 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)F Z119989546 [0,1,0,1,0,0|1,0,1]=4 954 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)I Z1269156950 [0,1,0,1,0,0|1,0,1]=4 955 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)Br Z285234024 [0,1,0,1,0,0|1,0,1]=4 956 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)Cl Z235363065 [0,1,0,1,0,0|1,0,1]=4 957 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)F Z235348085 [0,1,0,1,0,0|1,0,1]=4 958 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)I Z1269156688 [0,1,0,1,0,0|1,0,1]=4 959 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)O Z2894427530 [0,1,0,1,0,0|1,0,1]=4 960 B14R2.4529 O=C(O)C1=CC2=C(O1)C=C(C=C2)Cl Z1262517550 [0,1,0,1,0,0|0,0,2]=4 961 B14R2.4529 O=C(O)C1=CC2=C(O1)C=CC(=C2)Br Z111570846 [0,1,0,1,0,0|0,0,2]=4 962 B14R2.4529 O=C(O)C1=CC2=C(O1)C=CC(=C2)Cl Z104341200 [0,1,0,1,0,0|0,0,2]=4 963 B14R2.4529 O=C(O)C1=CC2=C(O1)C=CC(=C2)F Z979493270 [0,1,0,1,0,0|0,0,2]=4 964 B14R2.4529 O=C(O)C1=CC2=C(S1)C=C(C=C2)Cl Z1741972044 [0,1,0,1,0,0|0,1,1]=4 965 B14R2.4529 O=C(O)C1=CC2=C(S1)C=C(C=C2)F Z90121766 [0,1,0,1,0,0|0,1,1]=4 966 B14R2.4529 O=C(O)C1=CC2=C(S1)C=CC(=C2)Br Z1269202680 [0,1,0,1,0,0|0,1,1]=4 967 B14R2.4529 O=C(O)C1=CC2=C(S1)C=CC(=C2)Cl Z1269192627 [0,1,0,1,0,0|0,1,1]=4 968 B14R2.4529 O=C(O)C1=CC2=C(S1)C=CC(=C2)F Z90663383 [0,1,0,1,0,0|0,1,1]=4 969 B14R2.4529 O=C(O)C1CC2=C(C1)C=C(C=C2)F Z1262528526 [0,1,0,1,0,0|1,0,1]=4 970 B14R2.4529 O=C(O)C1CC2=C(O1)C=C(C=C2)Br Z2751941707 [0,1,0,1,0,0|0,0,2]=4 971 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)Br Z1269223909 [0,1,0,1,0,0|0,0,2]=4 972 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)Cl Z104341198 [0,1,0,1,0,0|0,0,2]=4 973 B14R2.8239 NC1=CC2=C(C=C1)NC(=O)C(=O)N2 Z168818400 [0,1,0,1,0,0|2,0,0]=4 974 B14R2.958 COC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2327124590 [0,1,0,1,0,0|1,0,1]=4 975 B14R2.972 COC(=O)C1=CC2=C(N1)C=CC=C2 Z17755623 [0,1,0,1,0,0|1,0,1]=4 976 B14R2.972 COC(=O)C1=CC2=C(O1)C=CC=C2 Z15842101 [0,1,0,1,0,0|0,0,2]=4 977 B14R2.972 COC(=O)C1=NC2=C(N1)C=CC=C2 Z276956278 [0,1,0,1,0,0|2,0,0]=4 978 B14R2.972 COC(=O)C1=NC2=C(O1)C=CC=C2 Z1198221054 [0,1,0,1,0,0|1,0,1]=4 979 B14R2.1128 N#CC1=C(OC2=C(C1)C=CC=C2)N Z1238571372 [0,1,0,1,0,0|2,0,0]=4 980 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=O Z276153038 [0,1,0,1,0,0|1,0,1]=4 981 B14R2.1128 NCC1=CC2=C(C=CC=C2)OC1=O Z2887893443 [0,1,0,1,0,0|1,0,1]=4 982 B14R2.1128 O=C1NC2=C(C=CC=C2)C=C1CO Z57164610 [0,1,0,1,0,0|2,0,0]=4 983 B14R2.1128 O=C1NC2=C(C=CC=C2)N=C1NO Z926909718 [0,1,0,1,0,0|2,0,0]=4 984 B14R2.1128 O=C1OC2=C(C=CC=C2)N=C1NO Z969560574 [0,1,0,1,0,0|1,0,1]=4 985 B14R2.1128 O=C1SC2=C(C=CC=C2)N=C1NO Z951172960 [0,1,0,1,0,0|2,0,0]=4 986 B14R2.1128 O=CC1=C(C=C2C=CC=CC2=C1)O Z1198150174 [0,1,0,1,0,0|1,0,1]=4 987 B14R2.1128 O=CC1=CC2=C(C=CC=C2)NC1=O Z56974846 [0,1,0,1,0,0|1,0,1]=4 988 B14R2.8188 CC1=C(C(=O)C2=C(N1)C=CC=C2)O Z1255448123 [0,1,0,1,0,0|2,0,0]=4 989 B14R2.8188 CN1C(=O)CC2=C(C1=O)C=CC=C2 Z56785068 [0,1,0,1,0,0|2,0,0]=4 990 B14R2.8188 NN1C(=O)CC2=C(C1=O)C=CC=C2 Z1198159165 [0,1,0,1,0,0|2,0,0]=4 991 B14R2.8188 N[C@H]1CC2=C(C=CC=C2)N(C1=O)O Z1198729370 [0,1,0,1,0,0|1,0,1]=4 992 B14R2.8188 O=C1NC2=C(C=CC=C2)C(=O)N1O Z1509143415 [0,1,0,1,0,0|2,0,0]=4 993 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=C1Br)O Z1269236923 [0,1,0,1,0,0|1,0,1]=4 994 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=O)N1O Z1528723634 [0,1,0,1,0,0|2,0,0]=4 995 B14R2.4476 CC1=CC(=CC=C1)[C@@H]2C[C@H]2C(=O)O Z2306910179 [0,1,0,1,0,0|1,0,1]=4 996 B14R2.4476 O=C(O)C1CC1C2=CC(=CC=C2)O Z1216651566 [0,1,0,1,0,0|1,0,1]=4 997 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC=C2)Br Z2251736248 [0,1,0,1,0,0|1,0,1]=4 998 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC=C2)Cl Z2250620212 [0,1,0,1,0,0|1,0,1]=4 999 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC=C2)F Z2309887928 [0,1,0,1,0,0|1,0,1]=4 1000 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC(=CC=C2)O Z1262554401 [0,1,0,1,0,0|1,0,1]=4 1001 B14R2.7969 CC1=C2C=C(NC2=CC=C1)C(=O)O Z119989626 [0,1,0,1,0,0|1,0,1]=4 1002 B14R2.7969 CC1=C2C=C(OC2=CC=C1)C(=O)O Z1262514439 [0,1,0,1,0,0|0,0,2]=4 1003 B14R2.7969 CC1=C2CC(NC2=CC=C1)C(=O)O Z2695869272 [0,1,0,1,0,0|1,0,1]=4 1004 B14R2.7969 CC1=C2CC(OC2=CC=C1)C(=O)O Z1262544184 [0,1,0,1,0,0|0,0,2]=4 1005 B14R2.7969 CC1=C2NC(=CC2=CC=C1)C(=O)O Z285234008 [0,1,0,1,0,0|1,0,1]=4 1006 B14R2.7969 CC1=C2OC(=CC2=CC=C1)C(=O)O Z406682014 [0,1,0,1,0,0|0,0,2]=4 1007 B14R2.7969 CC1=C2OC(CC2=CC=C1)C(=O)O Z1262521699 [0,1,0,1,0,0|0,0,2]=4 1008 B14R2.7969 CC1=C2SC(=CC2=CC=C1)C(=O)O Z1504672143 [0,1,0,1,0,0|0,1,1]=4 1009 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)Br Z431558930 [0,1,0,1,0,0|1,0,1]=4 1010 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)F Z285234022 [0,1,0,1,0,0|1,0,1]=4 1011 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)O Z1201622528 [0,1,0,1,0,0|1,0,1]=4 1012 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2Cl Z119989536 [0,1,0,1,0,0|1,0,1]=4 1013 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2F Z119989618 [0,1,0,1,0,0|1,0,1]=4 1014 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2I Z1269151806 [0,1,0,1,0,0|1,0,1]=4 1015 B14R2.7969 O=C(O)C1=CC2=C(O1)C(=CC=C2)Br Z393620108 [0,1,0,1,0,0|0,0,2]=4 1016 B14R2.7969 O=C(O)C1=CC2=C(O1)C(=CC=C2)Cl Z406682018 [0,1,0,1,0,0|0,0,2]=4 1017 B14R2.7969 O=C(O)C1=CC2=C(O1)C(=CC=C2)F Z406682016 [0,1,0,1,0,0|0,0,2]=4 1018 B14R2.7969 O=C(O)C1=CC2=C(S1)C(=CC=C2)Cl Z1269194521 [0,1,0,1,0,0|0,1,1]=4 1019 B14R2.7969 O=C(O)C1=CC2=C(S1)C(=CC=C2)F Z1201624111 [0,1,0,1,0,0|0,1,1]=4 1020 B14R2.7969 O=C(O)C1=CC2=C(S1)C=CC=C2Br Z1269230239 [0,1,0,1,0,0|0,1,1]=4 1021 B14R2.7969 O=C(O)C1=CC2=C(S1)C=CC=C2Cl Z90662195 [0,1,0,1,0,0|0,1,1]=4 1022 B14R2.7969 O=C(O)C1=CC2=C(S1)C=CC=C2F Z57036343 [0,1,0,1,0,0|0,1,1]=4 1023 B14R2.7969 O=C(O)C1CC2=C(C=CC=C2O1)F Z1813140041 [0,1,0,1,0,0|0,0,2]=4 1024 B14R2.7969 O=C(O)C1CC2=C(C=CC=C2S1)F Z228589552 [0,1,0,1,0,0|0,1,1]=4 1025 B14R2.7969 O=C(O)C1CC2=C(O1)C(=CC=C2)F Z1259128059 [0,1,0,1,0,0|0,0,2]=4 1026 B14R2.450 CC1=C(OC2=C1C=CC=C2)C(=O)O Z56174748 [0,1,0,1,0,0|0,0,2]=4 1027 B14R2.450 CC1=C(SC2=C1C=CC=C2)C(=O)O Z108595136 [0,1,0,1,0,0|0,1,1]=4 1028 B14R2.450 CC1C2=C(C=CC=C2)CC1C(=O)O Z1262514802 [0,1,0,1,0,0|1,0,1]=4 1029 B14R2.450 CC1C2=C(C=CC=C2)OC1C(=O)O Z372839354 [0,1,0,1,0,0|0,0,2]=4 1030 B14R2.450 CN1C(=CC2=C1C=CC=C2)C(=O)O Z57204959 [0,1,0,1,0,0|1,0,1]=4 1031 B14R2.450 C[C@H]1C2=C(C=CC=C2)O[C@H]1C(=O)O Z4517782541 [0,1,0,1,0,0|0,0,2]=4 1032 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)Br Z56796061 [0,1,0,1,0,0|1,0,1]=4 1033 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)Cl Z366436672 [0,1,0,1,0,0|1,0,1]=4 1034 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)I Z1269193943 [0,1,0,1,0,0|1,0,1]=4 1035 B14R2.450 O=C(O)C1=C(C2=C(O1)C=CC=C2)Br Z1681366744 [0,1,0,1,0,0|0,0,2]=4 1036 B14R2.450 O=C(O)C1=C(C2=C(O1)C=CC=C2)Cl Z1262529840 [0,1,0,1,0,0|0,0,2]=4 1037 B14R2.450 O=C(O)C1=C(C2=C(S1)C=CC=C2)Br Z1269130056 [0,1,0,1,0,0|0,1,1]=4 1038 B14R2.450 O=C(O)C1=C(C2=C(S1)C=CC=C2)Cl Z56899077 [0,1,0,1,0,0|0,1,1]=4 1039 B14R2.450 O=C(O)C1=CC2=C(C1O)C=CC=C2 Z1262524053 [0,1,0,1,0,0|1,0,0]=3 1040 B14R2.780 O=C(O)[C@@H]1NC[C@H]1C2=CC=CC=C2 Z3026488112 [0,1,0,1,0,0|1,0,1]=4 1041 B14R2.9520 CC1(CC1C(=O)O)C2=CC=CC=C2 Z979743476 [0,1,0,1,0,0|1,0,1]=4 1042 B14R2.789 CC1(CC2=C(C1)C=CC=C2)C(=O)O Z1259317000 [0,1,0,1,0,0|1,0,1]=4 1043 B14R2.789 NC1(CC2=C(C1)C=CC=C2)C(=O)O Z336080064 [0,1,0,1,0,0|1,0,1]=4 1044 B14R2.5443 CC1=C(C=CC=C1)[C@@H]2C[C@H]2C(=O)O Z2306910181 [0,1,0,1,0,0|1,0,1]=4 1045 B14R2.5443 O=C(O)C1CC1C2=C(C=CC=C2)Br Z450468456 [0,1,0,1,0,0|1,0,1]=4 1046 B14R2.5443 O=C(O)C1CC1C2=C(C=CC=C2)F Z203244240 [0,1,0,1,0,0|1,0,1]=4 1047 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC=C2)Br Z2242045651 [0,1,0,1,0,0|1,0,1]=4 1048 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC=C2)Cl Z2235816073 [0,1,0,1,0,0|1,0,1]=4 1049 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC=C2)F Z2247955070 [0,1,0,1,0,0|1,0,1]=4 1050 B14R2.788 O=C(O)C1(CC1)CC2=CC=CC=C2 Z1255403792 [0,1,0,1,0,0|1,0,1]=4 1051 B14R3.697 O=C1OC2=C(C=CC=C2)C3C1O3 Z3847441191 [0,0,0,2,0,0|0,0,2]=4 1052 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [1,0,0,0,1,0|1,0,1]=4 1053 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [1,0,0,0,1,0|1,0,1]=4 1054 B10R1.15 CNC(=O)C1=CC=CC=C1 Z32016410 [1,0,0,0,1,0|2,0,0]=4 1055 B10R1.15 COC(=O)C1=CC=CC=C1 Z19825577 [1,0,0,0,1,0|2,0,0]=4 1056 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 Z56827052 [1,0,0,0,1,0|2,0,0]=4 1057 B10R1.15 NCC(=O)C1=CC=CC=C1 Z600428568 [1,0,0,0,1,0|1,0,1]=4 1058 B10R1.15 NNC(=O)C1=CC=CC=C1 Z56926669 [1,0,0,0,1,0|2,0,0]=4 1059 B10R1.15 O=C(CCl)C1=CC=CC=C1 Z57834468 [1,0,0,0,1,0|1,0,1]=4 1060 B10R1.15 O=C(CO)C1=CC=CC=C1 Z906206792 [1,0,0,0,1,0|0,0,1]=3 1061 B10R1.15 O=C(NO)C1=CC=CC=C1 Z56912029 [1,0,0,0,1,0|1,0,0]=3 1062 B10R1.15 O=C(NO)C1=CN=CC=C1 Z59181939 [1,0,0,0,1,0|2,0,0]=4 1063 B10R1.15 O=CC(=O)C1=CC=CC=C1 Z1954804411 [1,0,0,0,1,0|0,0,0]=2 1064 B10R1.66 O=C(O)/C=C/C1=CC=CN1 Z1198166880 [1,0,0,0,1,0|1,0,1]=4 1065 B10R1.66 O=C(O)/C=C/C1=CC=CO1 Z2311574202 [1,0,0,0,1,0|1,0,1]=4 1066 B10R1.66 O=C(O)/C=C/C1=CC=CS1 Z56855126 [1,0,0,0,1,0|1,0,1]=4 1067 B10R1.66 O=C(O)/C=C/C1=CNC=C1 Z1203733427 [1,0,0,0,1,0|1,0,1]=4 1068 B10R1.66 O=C(O)/C=C/C1=CSC=C1 Z2417572197 [1,0,0,0,1,0|1,0,1]=4 1069 B10R1.66 O=C(O)CCC1=CC=CS1 Z57052863 [1,0,0,0,1,0|1,0,1]=4 1070 B10R1.66 O=C(O)CCC1=COC=C1 Z1098234501 [1,0,0,0,1,0|1,0,1]=4 1071 B10R1.66 O=C(O)CCC1=CSC=C1 Z85923469 [1,0,0,0,1,0|1,0,1]=4 1072 B10R1.66 O=C(O)CCN1C=CC=C1 Z245326706 [1,0,0,0,1,0|1,0,1]=4 1073 B12R1.252 CC(=O)NCCC1=CC=CC=C1 Z27761567 [1,0,0,0,0,1|1,0,1]=4 1074 B12R1.252 CC(=O)NNCC1=CC=CC=C1 Z1726022904 [1,0,0,0,0,1|2,0,0]=4 1075 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [1,0,0,0,0,1|1,0,1]=4 1076 B12R1.252 NC(=O)CCOC1=CC=CC=C1 Z33545291 [1,0,0,0,0,1|1,0,1]=4 1077 B12R1.252 NC(=O)CCSC1=CC=CC=C1 Z33547211 [1,0,0,0,0,1|1,0,1]=4 1078 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [1,0,0,0,0,1|1,0,1]=4 1079 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [1,0,0,0,0,1|1,0,1]=4 1080 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [1,0,0,0,0,1|1,0,1]=4 1081 B12R1.252 NC(=O)NOCC1=CC=CC=C1 Z56787772 [1,0,0,0,0,1|2,0,0]=4 1082 B12R1.252 O=C(O)/C=C/SC1=CC=CC=C1 Z104378002 [1,0,0,0,0,1|0,0,1]=3 1083 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 Z976639296 [1,0,0,0,0,1|0,0,2]=4 1084 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [1,0,0,0,0,1|0,0,1]=3 1085 B12R1.252 O=C(O)CCCC1=CC=NC=C1 Z2106608658 [1,0,0,0,0,1|1,0,1]=4 1086 B12R1.252 O=C(O)CCCC1=NC=CC=C1 Z1259273117 [1,0,0,0,0,1|1,0,1]=4 1087 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [1,0,0,0,0,1|0,0,1]=3 1088 B12R1.252 O=C(O)CCNC1=NC=CC=C1 Z285820166 [1,0,0,0,0,1|1,0,1]=4 1089 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [1,0,0,0,0,1|0,0,1]=3 1090 B12R1.252 O=C(O)CCOC1=CN=CC=C1 Z336080826 [1,0,0,0,0,1|1,0,1]=4 1091 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [1,0,0,0,0,1|0,0,1]=3 1092 B12R1.252 O=C(O)CCSC1=NC=CC=C1 Z102927312 [1,0,0,0,0,1|1,0,1]=4 1093 B12R1.252 O=C(O)CNCC1=CN=CC=C1 Z372854000 [1,0,0,0,0,1|1,0,1]=4 1094 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z1259041052 [1,0,0,0,0,1|1,0,1]=4 1095 B12R1.252 O=C(O)COCC1=CC=NC=C1 Z1262561205 [1,0,0,0,0,1|1,0,1]=4 1096 B12R1.252 O=C(O)COCC1=CN=CC=C1 Z1262555665 [1,0,0,0,0,1|1,0,1]=4 1097 B12R1.252 O=C(O)COCC1=NC=CC=C1 Z1262528420 [1,0,0,0,0,1|1,0,1]=4 1098 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [1,0,0,0,0,1|0,0,1]=3 1099 B12R1.252 O=C(O)CSCC1=CC=NC=C1 Z228589362 [1,0,0,0,0,1|1,0,1]=4 1100 B12R1.252 O=C(O)CSCC1=CN=CC=C1 Z228589228 [1,0,0,0,0,1|1,0,1]=4 1101 B12R1.252 O=C(O)CSCC1=NC=CC=C1 Z228589018 [1,0,0,0,0,1|1,0,1]=4 1102 B14R1.423 CC(=O)NCC(=O)NC1=CC=CC=C1 Z31504337 [0,0,0,0,0,2|2,0,0]=4 1103 B14R1.423 CC(CC1=CC=CC=C1)NCC(=O)O Z2235792090 [0,0,0,0,0,2|1,0,1]=4 1104 B14R1.423 CC(O)CNC(=O)CC1=CC=CC=C1 Z68385325 [0,0,0,0,0,2|1,0,1]=4 1105 B14R1.423 NC(CC1=CC=CC=C1)NCC(=O)O Z57032609 [0,0,0,0,0,2|1,0,1]=4 1106 B14R1.423 NC(CCC(=O)O)CC1=CC=CC=C1 Z1642061385 [0,0,0,0,0,2|1,0,1]=4 1107 B14R1.423 O=C(O)/C=C/C(=O)NC1=CC=CC=C1 Z56176633 [0,0,0,0,0,2|1,0,0]=3 1108 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 Z56176896 [0,0,0,0,0,2|1,0,0]=3 1109 B14R1.423 O=C(O)CCC(=O)NC1=CN=CC=C1 Z429593776 [0,0,0,0,0,2|2,0,0]=4 1110 B14R1.423 O=C(O)CCC(=O)NC1=NC=CC=C1 Z57103931 [0,0,0,0,0,2|2,0,0]=4 1111 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 Z56963417 [0,0,0,0,0,2|0,0,0]=2 1112 B14R1.423 O=C(O)CNC(=O)NC1=CC=CC=C1 Z56760696 [0,0,0,0,0,2|1,0,0]=3 1113 B14R1.818 C/C(=C\C(=O)O)/CCC1=CC=CC=C1 Z352748426 [0,0,0,0,0,2|1,0,0]=3 1114 B14R1.818 CC(CCC1=CC=CC=C1)CC(=O)O Z352782432 [0,0,0,0,0,2|1,0,1]=4 1115 B14R1.818 CN(CCC1=CC=CC=C1)CC(=O)O Z1459897052 [0,0,0,0,0,2|2,0,0]=4 1116 B14R1.818 NC(=O)NC(=O)/C=C/C1=CC=CC=C1 Z2757548458 [0,0,0,0,0,2|1,0,1]=4 1117 B14R1.818 NC(=O)NC(=O)CSC1=CC=CC=C1 Z19750931 [0,0,0,0,0,2|1,0,0]=3 1118 B14R1.818 NC(=S)CC(=O)NCC1=CC=CC=C1 Z56922197 [0,0,0,0,0,2|1,1,0]=4 1119 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O Z2832013470 [0,0,0,0,0,2|1,0,1]=4 1120 B14R1.6449 CC(CCOC1=CC=CC=C1)C(=O)O Z839123502 [0,0,0,0,0,2|1,0,1]=4 1121 B14R1.6449 CC(CNCC1=CC=CC=C1)C(=O)O Z1762658341 [0,0,0,0,0,2|1,0,1]=4 1122 B14R1.6449 CC(COCC1=CC=CC=C1)C(=O)O Z431541082 [0,0,0,0,0,2|1,0,1]=4 1123 B14R1.6449 CC(CSCC1=CC=CC=C1)C(=O)O Z431541728 [0,0,0,0,0,2|1,0,1]=4 1124 B14R1.6449 CC(O)C(=O)NCCC1=CC=CC=C1 Z1251361749 [0,0,0,0,0,2|1,0,1]=4 1125 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O Z1259335833 [0,0,0,0,0,2|1,0,1]=4 1126 B14R1.6449 NC(CCSC1=CC=CC=C1)C(=O)O Z1080372958 [0,0,0,0,0,2|1,0,1]=4 1127 B14R1.6449 NC(CNCC1=CC=CC=C1)C(=O)O Z1945696031 [0,0,0,0,0,2|1,0,1]=4 1128 B14R1.6449 N[C@@H](CCOC1=CC=CC=C1)C(=O)O Z1262524421 [0,0,0,0,0,2|1,0,1]=4 1129 B14R1.6449 O=C(O)C(O)CCCC1=CC=CC=C1 Z1262514933 [0,0,0,0,0,2|0,0,2]=4