0 B11R1.35 C/C(=C\C1=CC=CO1)/C(=O)O Z2492774531 [0,0,0,0,0,0|1,1,2]=4 1 B11R1.35 C/C(=C\C1=CC=CS1)/C(=O)O Z1198150490 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.35 CC(=O)N(C)CC1=CC=CO1 Z32456026 [0,0,0,0,0,0|3,1,0]=4 3 B11R1.35 CC(CC1=CC=CS1)C(=O)O Z756390536 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.35 CC(CN1C=CC=N1)C(=O)O Z421787104 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.35 CC(CN1C=CN=C1)C(=O)O Z1431781034 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.35 CC(SC1=NN=CS1)C(=O)O Z56279656 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.35 CN(CC1=CC=CS1)C(=O)N Z198194122 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.35 NC(CC1=CC=CN1)C(=O)O Z1065645554 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.35 NC(CC1=CC=CO1)C(=O)O Z317025794 [0,0,0,0,0,0|0,1,0]=1 10 B11R1.35 NC(CC1=CC=NO1)C(=O)O Z2429425584 [0,0,0,0,0,0|1,1,0]=2 11 B11R1.35 NC(CC1=CN=CS1)C(=O)O Z2753010848 [0,0,0,0,0,0|1,0,0]=1 12 B11R1.35 NC(CC1=CNC=N1)C(=O)O Z1259162152 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.35 NC(CC1=COC=C1)C(=O)O Z3839442137 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.35 NC(CC1=COC=N1)C(=O)O Z3377962909 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.35 NC(CC1=CSC=C1)C(=O)O Z3251695259 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.35 NC(CC1=CSC=N1)C(=O)O Z3355847058 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.35 NC(CC1=NC=NS1)C(=O)O Z3753017084 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.35 NC(CC1=NNC=C1)C(=O)O Z2503042485 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.35 NC(CC1=NNC=N1)C(=O)O Z3479679094 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.35 NC(CC1=NSN=C1)C(=O)O Z3379430810 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.35 NC(CN1C=CC=N1)C(=O)O Z2933867195 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.35 NC(CN1C=CN=C1)C(=O)O Z2310727968 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.35 NC(CN1C=CN=N1)C(=O)O Z4271765232 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.35 NC(CN1C=NC=N1)C(=O)O Z1702888516 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O Z359369984 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O Z1079168982 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.35 O=C(O)C(=O)CC1=CC=CS1 Z271004562 [0,0,0,0,0,0|1,0,1]=2 28 B11R1.35 O=C(O)C(O)CN1C=NC=N1 Z2865625689 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.35 O=C(O)[C@@H](O)CC1=CNC=N1 Z3410265465 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.27 CC(CN)CC1=CC=CS1 Z992308868 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.27 NC(CO)CC1=CN=CS1 Z2731749295 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.27 NC(CO)CC1=NC=CS1 Z3004013658 [1,0,0,0,0,0|1,0,1]=3 33 B10R1.27 N[C@H](CO)CC1=CNC=N1 Z2697164739 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.66 CC(=O)CCC1=CSC=C1 Z444869186 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.66 CC(=O)CCN1C=CC=N1 Z362119622 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.66 CC(=O)NCC1=CC=CO1 Z31407850 [1,0,0,0,0,0|2,1,0]=4 37 B10R1.66 CC(=O)NCC1=CC=CS1 Z29693692 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.66 NC(=O)NCC1=CC=CO1 Z56900771 [1,0,0,0,0,0|2,1,0]=4 39 B10R1.66 NC(=O)NCC1=CC=CS1 Z108576590 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.66 NC(=O)NCC1=NC=CS1 Z736935680 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.66 NC(=S)NCC1=CC=CS1 Z404001698 [1,0,0,0,0,0|2,1,0]=4 42 B10R1.66 O=C(O)/C=C/C1=CC=CN1 Z1198166880 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.66 O=C(O)/C=C/C1=CC=CO1 Z2311574202 [1,0,0,0,0,0|0,1,2]=4 44 B10R1.66 O=C(O)/C=C/C1=CC=CS1 Z56855126 [1,0,0,0,0,0|0,0,2]=3 45 B10R1.66 O=C(O)/C=C/C1=CN=CS1 Z1198166918 [1,0,0,0,0,0|1,0,2]=4 46 B10R1.66 O=C(O)/C=C/C1=NC=CS1 Z381407314 [1,0,0,0,0,0|1,0,2]=4 47 B10R1.66 O=C(O)CCC1=CC=CS1 Z57052863 [1,0,0,0,0,0|0,0,0]=1 48 B10R1.66 O=C(O)CCC1=CC=NN1 Z3063833168 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.66 O=C(O)CCC1=CN=CO1 Z1255388483 [1,0,0,0,0,0|1,1,0]=3 50 B10R1.66 O=C(O)CCC1=CNC=N1 Z1770193418 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.66 O=C(O)CCC1=CNN=C1 Z2251841401 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.66 O=C(O)CCC1=CNN=N1 Z2235677946 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.66 O=C(O)CCC1=COC=C1 Z1098234501 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.66 O=C(O)CCC1=CON=C1 Z1205656268 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.66 O=C(O)CCC1=CSC=C1 Z85923469 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.66 O=C(O)CCC1=CSC=N1 Z381407422 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.66 O=C(O)CCC1=NC=CN1 Z1913661002 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.66 O=C(O)CCC1=NC=CS1 Z381407426 [1,0,0,0,0,0|1,0,0]=2 59 B10R1.66 O=C(O)CCC1=NN=CN1 Z1350606441 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.66 O=C(O)CCC1=NN=CS1 Z4302498044 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.66 O=C(O)CCC1=NOC=C1 Z1198279853 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.66 O=C(O)CCN1C=CC=C1 Z245326706 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.66 O=C(O)CCN1C=CC=N1 Z220346786 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.66 O=C(O)CCN1C=CN=C1 Z53111117 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.66 O=C(O)CCN1C=NC=N1 Z220616946 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.66 O=C(O)CNC1=NC=CS1 Z316100440 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.66 O=C(O)COC1=CSC=C1 Z1262541445 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.66 O=C(O)COC1=NSC=C1 Z2787069249 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.66 O=C(O)CSC1=NC=CS1 Z295404488 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.66 O=C(O)CSC1=NN=CS1 Z55903773 [1,0,0,0,0,0|3,0,0]=4 71 B12R1.104 CC(=O)N(C)CC1=CC=C(S1)Br Z52395590 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.104 CC(=O)N(C)CC1=CC=C(S1)Cl Z52379061 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.104 CC1=CN(N=C1)CC(N)C(=O)O Z1737940744 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.104 CC1=CSC(=N1)NC(C)C(=O)O Z425419576 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.104 CC1=NN(C=C1)CC(C)C(=O)O Z1198160947 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.104 CN1C=C(C=N1)CC(N)C(=O)O Z1259335776 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.104 CN1C=C(N=N1)CC(N)C(=O)O Z3877612552 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.104 CN1C=NC(=C1)CC(O)C(=O)O Z3270199333 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.104 CN1C=NC(=C1)C[C@H](N)C(=O)O Z3005524545 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.104 NC(CC1=CSC(=C1)Cl)C(=O)O Z3464487109 [0,1,0,0,0,0|2,0,0]=3 81 B12R1.104 NC(CN1C=C(C=N1)Br)C(=O)O Z1762658278 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.104 NC(CN1C=C(C=N1)Cl)C(=O)O Z1649677786 [0,1,0,0,0,0|2,0,0]=3 83 B12R1.104 NC1=NC(=CS1)CC(N)C(=O)O Z3482741151 [0,1,0,0,0,0|2,0,0]=3 84 B12R1.104 N[C@@H](CC1=CNC(=N1)S)C(=O)O Z1198148773 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.104 N[C@H](CC1=CNC(=N1)S)C(=O)O Z1198234492 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.108 CN(CC1=CC=CS1)C(=O)CCl Z57039592 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.108 COC(=O)C(N)CC1=CNN=C1 Z3376022026 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.108 COC(=O)C(N)CC1=COC=C1 Z3991663285 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.108 COC(=O)C(N)CC1=CSC=C1 Z3397220489 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.108 COC(=O)C(N)CN1C=CC=N1 Z2904982884 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.108 COC(=O)C(N)CN1C=CN=C1 Z1742055080 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.108 COC(=O)C(N)CN1C=NC=N1 Z2935011061 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.145 CC1=C(NC=N1)CC(O)C(=O)O Z4137163794 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.145 CC1=NON=C1CC(N)C(=O)O Z823287428 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.145 CN1N=CC=C1CC(N)C(=O)O Z3681679050 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.145 CN1N=CN=C1CC(N)C(=O)O Z3824528863 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.145 NC(CC1=C(SC=C1)Cl)C(=O)O Z3337480266 [0,1,0,0,0,0|2,0,0]=3 98 B12R1.298 CCN(CC1=CC=CS1)C(=O)C Z73373294 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.1373 CC(N)(CN1C=CC=N1)C(=O)N Z898400066 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.1373 CC(N)(CN1C=CC=N1)C(=O)O Z2937689910 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.1373 CC(N)(CN1C=NC=N1)C(=O)O Z1683068100 [0,1,0,0,0,0|3,0,0]=4 102 B12R2.252 NC(=O)C1=CC2=C(N1)C=CS2 Z1255450918 [0,0,0,1,0,0|1,0,2]=4 103 B12R2.252 O=C(O)C1=CC2=C(N1)C=CO2 Z1198172211 [0,0,0,1,0,0|0,1,2]=4 104 B12R2.252 O=C(O)C1=CC2=C(N1)C=CS2 Z1162419603 [0,0,0,1,0,0|0,0,2]=3 105 B12R2.252 O=C(O)C1=CC2=C(N1)N=CS2 Z1198322180 [0,0,0,1,0,0|1,0,2]=4 106 B12R2.252 O=C(O)C1=CC2=C(N1)SC=C2 Z235000792 [0,0,0,1,0,0|2,0,1]=4 107 B12R2.252 O=C(O)C1=CC2=C(S1)C=CS2 Z666140572 [0,0,0,1,0,0|1,0,2]=4 108 B12R2.252 O=C(O)C1=CC2=C(S1)SC=C2 Z1198150636 [0,0,0,1,0,0|2,0,1]=4 109 B12R2.252 O=C(O)C1CC2=CSC=C2C1 Z1262517243 [0,0,0,1,0,0|3,0,0]=4 110 B12R2.252 O=C(O)C1CC2=NC=CN2C1 Z2692249218 [0,0,0,1,0,0|3,0,0]=4 111 B12R2.1354 CC(=O)[C@@H]1C[C@H]1C2=CC=CS2 Z2309918518 [0,0,0,1,0,0|2,0,0]=3 112 B12R2.1354 O=C(O)C1CC1C2=CC=CO2 Z359510162 [0,0,0,1,0,0|1,1,0]=3 113 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CC=CO2 Z2242045434 [0,0,0,1,0,0|1,1,0]=3 114 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CNC=N2 Z2573343613 [0,0,0,1,0,0|3,0,0]=4 115 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CSC=C2 Z2683332742 [0,0,0,1,0,0|3,0,0]=4 116 B10R1.23 CC(C(=O)O)C1=CC=CO1 Z792377294 [0,0,0,0,1,0|1,1,0]=3 117 B10R1.23 CC(C(=O)O)C1=CC=NN1 Z4751117307 [0,0,0,0,1,0|3,0,0]=4 118 B10R1.23 CC(C(=O)O)C1=CSC=C1 Z954552432 [0,0,0,0,1,0|3,0,0]=4 119 B10R1.23 CC(C(=O)O)N1C=CC=C1 Z223656256 [0,0,0,0,1,0|3,0,0]=4 120 B10R1.23 CC(C(=O)O)N1C=CC=N1 Z406680018 [0,0,0,0,1,0|3,0,0]=4 121 B10R1.23 CC(C(=O)[O-])C1=NC=CS1 Z3483976599 [0,0,0,0,1,0|2,0,1]=4 122 B10R1.23 NC(C(=O)O)C1=CC=CS1 Z803154920 [0,0,0,0,1,0|0,0,0]=1 123 B10R1.23 NC(C(=O)O)C1=CSC=C1 Z1696871277 [0,0,0,0,1,0|2,0,0]=3 124 B10R1.23 NC(C(=O)O)C1=CSC=N1 Z3699161008 [0,0,0,0,1,0|2,0,0]=3 125 B10R1.23 O=C(O)C(F)N1C=CC=N1 Z1438068862 [0,0,0,0,1,0|3,0,0]=4 126 B10R1.23 O=C(O)C(O)C1=CNC=N1 Z2301534488 [0,0,0,0,1,0|3,0,0]=4 127 B10R1.23 O=C(O)C(O)C1=CSC=C1 Z788000616 [0,0,0,0,1,0|3,0,0]=4 128 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [0,0,0,0,0,1|2,0,0]=3 129 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [0,0,0,0,0,1|2,0,0]=3 130 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Z3477804988 [0,0,0,0,0,1|2,0,0]=3 131 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [0,0,0,0,0,1|3,0,0]=4 132 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [0,0,0,0,0,1|3,0,0]=4 133 B12R1.43 CC(OC1=CN=CC=C1)C(=O)O Z336080820 [0,0,0,0,0,1|3,0,0]=4 134 B12R1.43 CC(OC1=NC=CC=C1)C(=O)O Z360507460 [0,0,0,0,0,1|3,0,0]=4 135 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [0,0,0,0,0,1|3,0,0]=4 136 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O Z31250551 [0,0,0,0,0,1|3,0,0]=4 137 B12R1.43 CC(SC1=NC=CC=N1)C(=O)O Z31250552 [0,0,0,0,0,1|3,0,0]=4 138 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [0,0,0,0,0,1|2,0,0]=3 139 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [0,0,0,0,0,1|2,0,0]=3 140 B12R1.43 NC(=O)C(N)CC1=NC=CC=C1 Z4981909244 [0,0,0,0,0,1|2,0,0]=3 141 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [0,0,0,0,0,1|2,0,0]=3 142 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [0,0,0,0,0,1|2,0,0]=3 143 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [0,0,0,0,0,1|1,0,0]=2 144 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [0,0,0,0,0,1|1,0,0]=2 145 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [0,0,0,0,0,1|1,0,0]=2 146 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O Z3697694105 [0,0,0,0,0,1|2,0,0]=3 147 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [0,0,0,0,0,1|1,0,0]=2 148 B12R1.43 NC(CC1=NC=CC=N1)C(=O)O Z2432992279 [0,0,0,0,0,1|1,0,0]=2 149 B12R1.43 NC(CC1=NC=NC=C1)C(=O)O Z2470415568 [0,0,0,0,0,1|1,0,0]=2 150 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [0,0,0,0,0,1|1,0,0]=2 151 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [0,0,0,0,0,1|1,0,0]=2 152 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [0,0,0,0,0,1|2,0,1]=4 153 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [0,0,0,0,0,1|2,0,0]=3 154 B12R1.43 O=C(O)C(O)CC1=NC=CC=C1 Z3486862716 [0,0,0,0,0,1|2,0,0]=3 155 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [0,0,0,0,0,1|2,0,0]=3 156 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [0,0,0,0,0,1|2,0,0]=3 157 B12R1.264 CC(OCC1=CN=CS1)C(=O)O Z1714302130 [0,0,0,0,0,1|2,0,0]=3 158 B12R1.264 NC(CCC1=CNN=C1)C(=O)O Z3486116939 [0,0,0,0,0,1|3,0,0]=4 159 B12R1.264 O=C(O)C(=O)/C=C/C1=CC=CS1 Z104378004 [0,0,0,0,0,1|1,0,2]=4 160 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [1,0,1,0,0,0|0,0,2]=4 161 B9R1.12 CNCCC1=CC=CS1 Z162416950 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.12 O=CCCC1=CSC=C1 Z993017658 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.13 CC(N)CC1=CC=CO1 Z285143986 [2,0,0,0,0,0|0,1,1]=4 164 B9R1.13 CC(N)CC1=CC=CS1 Z1160899518 [2,0,0,0,0,0|0,0,1]=3 165 B9R1.13 N=C(N)CC1=CC=CS1 Z1526503402 [2,0,0,0,0,0|1,0,1]=4 166 B9R1.13 NC(=O)CC1=CC=CN1 Z1203579730 [2,0,0,0,0,0|1,0,1]=4 167 B9R1.13 O=C(O)CC1=CC=CS1 Z104473344 [2,0,0,0,0,0|1,0,1]=4 168 B11R1.30 CC(CC1=CC=CS1)N=C=O Z1119167680 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.84 N#CC(CO)CC1=CC=CS1 Z1098915231 [1,1,0,0,0,0|0,0,2]=4 170 B11R1.84 NCC(CO)CC1=CC=CO1 Z277959632 [1,1,0,0,0,0|0,1,1]=4 171 B11R1.25 CCC(=O)NCC1=CC=CS1 Z29693741 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.25 CNC(=O)CCC1=CC=CO1 Z242124434 [1,1,0,0,0,0|1,1,0]=4 173 B11R1.25 COC(=O)CCC1=CNC=N1 Z1250100623 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.25 COC(=O)CCC1=CSC=C1 Z74523177 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.25 O=C(CCl)NCC1=CC=CS1 Z56851249 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.75 CC(=O)CCC1=CC=C(S1)Cl Z406376898 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.75 CC(=O)NCC1=CC=C(S1)Br Z352010878 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.75 CC1=CC(=NO1)CCC(=O)O Z1216839860 [1,1,0,0,0,0|2,0,0]=4 179 B11R1.75 CC1=CC=C(O1)CCC(=O)O Z57248456 [1,1,0,0,0,0|0,1,0]=3 180 B11R1.75 CC1=CC=C(S1)/C=C/C(=O)O Z2942853021 [1,1,0,0,0,0|0,0,2]=4 181 B11R1.75 CC1=CC=C(S1)CCC(=O)O Z381359992 [1,1,0,0,0,0|0,0,0]=2 182 B11R1.75 CC1=CN(N=C1)CCC(=O)O Z275127962 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.75 CC1=CNC(=N1)CCC(=O)O Z3181965688 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.75 CC1=CSC(=N1)CCC(=O)O Z1198306714 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.75 CC1=CSC(=N1)NCC(=O)O Z316100442 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.75 CC1=NC(=CS1)CCC(=O)O Z1184876049 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.75 CC1=NC=C(O1)CCC(=O)O Z1255392347 [1,1,0,0,0,0|1,1,0]=4 188 B11R1.75 CC1=NC=C(S1)CCC(=O)O Z1079166524 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.75 CC1=NNC(=C1)CCC(=O)O Z1251358529 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.75 CC1=NOC(=C1)CCC(=O)O Z1216842852 [1,1,0,0,0,0|1,1,0]=4 191 B11R1.75 CN1C=CC(=C1)CCC(=O)O Z1262521199 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.75 CN1C=NC(=C1)CCC(=O)O Z3681634742 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.75 NC(=O)CCC1=CC=C(S1)Cl Z458893400 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.75 NC1=CN(N=C1)CCC(=O)O Z802829580 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.75 NC1=NC(=CS1)CCC(=O)O Z1147235463 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.75 NC1=NC=C(N1)CCC(=O)O Z3300728684 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.75 NC1=NC=C(S1)CCC(=O)O Z1154248781 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.75 NC1=NN=C(S1)CCC(=O)O Z274514086 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.75 O=C(O)/C=C/C1=CC(=CS1)Br Z2312944403 [1,1,0,0,0,0|0,0,2]=4 200 B11R1.75 O=C(O)/C=C/C1=CC=C(S1)Br Z2315579743 [1,1,0,0,0,0|0,0,2]=4 201 B11R1.75 O=C(O)/C=C/C1=CC=C(S1)Cl Z221300456 [1,1,0,0,0,0|0,0,2]=4 202 B11R1.75 O=C(O)CCC1=CC(=CS1)Br Z381359988 [1,1,0,0,0,0|0,0,0]=2 203 B11R1.75 O=C(O)CCC1=CC(=CS1)Cl Z234898661 [1,1,0,0,0,0|0,0,0]=2 204 B11R1.75 O=C(O)CCC1=CC=C(S1)Cl Z381359990 [1,1,0,0,0,0|0,0,0]=2 205 B11R1.75 O=C(O)CCC1=CNC(=N1)S Z3235142381 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.75 O=C(O)CCC1=CNC(=O)N1 Z1262517531 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.75 O=C(O)CCN1C=C(C=N1)Br Z608353718 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.75 O=C(O)CCN1C=C(C=N1)Cl Z625454300 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.77 C/C(=C\C(=O)O)/C1=CC=CS1 Z352748066 [1,1,0,0,0,0|0,0,2]=4 210 B11R1.77 CC(=O)NC(C)C1=CC=CS1 Z28880796 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.77 CC(CC(=O)O)N1C=CC=C1 Z398989776 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.77 CC(CC(=O)O)N1C=CC=N1 Z431537238 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.77 NC(CC(=O)O)C1=CC=CS1 Z221523588 [1,1,0,0,0,0|0,0,0]=2 214 B11R1.77 NC(CC(=O)O)C1=CSC=C1 Z285185092 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.77 NC(CC(=O)O)C1=NC=CS1 Z1255465757 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.90 CC1=C(SC=C1)/C=C/C(=O)O Z2942851704 [1,1,0,0,0,0|0,0,2]=4 217 B11R1.90 CC1=C(SC=N1)CCC(=O)O Z1198166208 [1,1,0,0,0,0|1,0,0]=3 218 B11R1.90 CN1C=CC=C1CCC(=O)O Z362827938 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.90 CN1C=CN=C1CCC(=O)O Z2939814866 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.90 CN1C=NC=C1CCC(=O)O Z1824511285 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.90 CN1N=CC=C1CCC(=O)O Z1198171512 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.90 O=C(O)CCC1=C(C=CS1)Br Z854069976 [1,1,0,0,0,0|0,0,0]=2 223 B11R1.90 O=C(O)CCC1=C(SC=C1)Br Z2236423623 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.90 O=C(O)CCC1=C(SC=C1)Cl Z2261978289 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.89 CC1=C(SC=N1)C(N)C(=O)O Z1262531665 [0,1,0,0,1,0|1,0,0]=3 226 B11R1.173 CC(C)(C(=O)O)C1=CC=CS1 Z982130788 [0,1,0,0,1,0|1,0,0]=3 227 B11R1.173 O=C(O)C(F)(F)C1=NC=CS1 Z1838104615 [0,1,0,0,1,0|2,0,0]=4 228 B11R1.298 CSC(C(=O)O)C1=CC=CS1 Z1262520461 [0,1,0,0,1,0|1,0,0]=3 229 B11R1.314 CC(C(=O)O)C1=CC=C(S1)Br Z803101402 [0,1,0,0,1,0|1,0,0]=3 230 B11R1.314 CC(C(=O)O)C1=CC=C(S1)Cl Z803101404 [0,1,0,0,1,0|1,0,0]=3 231 B11R1.314 CC1=CC=C(O1)C(C)C(=O)O Z792377304 [0,1,0,0,1,0|1,1,0]=4 232 B11R1.314 CC1=CC=C(S1)C(C)C(=O)O Z803101406 [0,1,0,0,1,0|1,0,0]=3 233 B11R1.314 CC1=CC=C(S1)C(O)C(=O)[O-] Z1695669920 [0,1,0,0,1,0|1,0,1]=4 234 B11R1.314 CN1C=CC(=N1)C(N)C(=O)O Z2901983931 [0,1,0,0,1,0|2,0,0]=4 235 B11R1.314 O=C(O)C(=O)C1=CC=C(S1)Cl Z381360936 [0,1,0,0,1,0|1,0,1]=4 236 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)O Z513659390 [0,1,0,0,0,1|2,0,0]=4 237 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O Z513659166 [0,1,0,0,0,1|2,0,0]=4 238 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)O Z513658938 [0,1,0,0,0,1|2,0,0]=4 239 B13R1.133 CC(CC1=CC=C(C=C1)N)C(=O)O Z1262515083 [0,1,0,0,0,1|2,0,0]=4 240 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O Z513658700 [0,1,0,0,0,1|2,0,0]=4 241 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)Cl Z2065464318 [0,1,0,0,0,1|2,0,0]=4 242 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O Z3211890270 [0,1,0,0,0,1|2,0,0]=4 243 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O Z317024982 [0,1,0,0,0,1|1,0,0]=3 244 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O Z57969728 [0,1,0,0,0,1|1,0,0]=3 245 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O Z1263631851 [0,1,0,0,0,1|1,0,0]=3 246 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [0,1,0,0,0,1|1,0,0]=3 247 B13R1.133 NC(CC1=CN=C(C=C1)O)C(=O)O Z3543676837 [0,1,0,0,0,1|1,0,0]=3 248 B13R1.133 NC(CC1=NC=C(C=C1)Cl)C(=O)O Z3499018105 [0,1,0,0,0,1|1,0,0]=3 249 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O Z995228058 [0,1,0,0,0,1|1,0,0]=3 250 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O Z1269142887 [0,1,0,0,0,1|1,0,0]=3 251 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756440046 [0,1,0,0,0,1|1,0,0]=3 252 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O Z995228428 [0,1,0,0,0,1|1,0,0]=3 253 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O Z995228438 [0,1,0,0,0,1|1,0,0]=3 254 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O Z1269112635 [0,1,0,0,0,1|1,0,0]=3 255 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O Z969739284 [0,1,0,0,0,1|1,0,0]=3 256 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)F Z57388220 [0,1,0,0,0,1|2,0,0]=4 257 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)F Z1255373692 [0,1,0,0,0,1|2,0,0]=4 258 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 Z1449756300 [0,1,0,0,0,1|2,0,0]=4 259 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 Z56867313 [0,1,0,0,0,1|1,0,0]=3 260 B13R1.135 COC(=O)C(N)CC1=CC=NC=C1 Z2197092950 [0,1,0,0,0,1|1,0,0]=3 261 B13R1.135 COC(=O)C(N)CC1=NC=CC=N1 Z5222614167 [0,1,0,0,0,1|1,0,0]=3 262 B13R1.148 CC(CC1=CC(=CC=C1)Cl)C(=O)O Z513660282 [0,1,0,0,0,1|2,0,0]=4 263 B13R1.148 CC(CC1=CC(=CC=C1)F)C(=O)O Z513660066 [0,1,0,0,0,1|2,0,0]=4 264 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O Z2470414651 [0,1,0,0,0,1|1,0,0]=3 265 B13R1.148 CC1=CC(=CN=C1)CC(N)C(=O)O Z3401637181 [0,1,0,0,0,1|1,0,0]=3 266 B13R1.148 CC1=NC(=CC=C1)CC(N)C(=O)O Z4910394436 [0,1,0,0,0,1|1,0,0]=3 267 B13R1.148 C[N+]1=CC(=CC=C1)CC(N)C(=O)O Z3827376923 [0,1,0,0,0,1|1,0,0]=3 268 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O Z1770192944 [0,1,0,0,0,1|1,0,0]=3 269 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O Z1374884687 [0,1,0,0,0,1|1,0,0]=3 270 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O Z317025828 [0,1,0,0,0,1|1,0,0]=3 271 B13R1.148 NC(CC1=CC(=CN=C1)Br)C(=O)O Z3444795124 [0,1,0,0,0,1|1,0,0]=3 272 B13R1.148 NC(CC1=CC(=CN=C1)Cl)C(=O)O Z3353591955 [0,1,0,0,0,1|1,0,0]=3 273 B13R1.148 NC(CC1=CC(=CN=C1)F)C(=O)O Z3376051877 [0,1,0,0,0,1|1,0,0]=3 274 B13R1.148 NC(CC1=CC(=CN=C1)O)C(=O)O Z3400819408 [0,1,0,0,0,1|1,0,0]=3 275 B13R1.148 NC(CC1=CC(=NC=C1)O)C(=O)O Z3481534727 [0,1,0,0,0,1|1,0,0]=3 276 B13R1.148 NC(CC1=NC(=CC=N1)O)C(=O)O Z3326140144 [0,1,0,0,0,1|1,0,0]=3 277 B13R1.148 NC(CC1=NC=CC(=C1)Cl)C(=O)O Z3780525124 [0,1,0,0,0,1|1,0,0]=3 278 B13R1.148 NC(CC1=NC=NC(=C1)O)C(=O)O Z3531845722 [0,1,0,0,0,1|1,0,0]=3 279 B13R1.148 NC1=CC(=NC=C1)CC(N)C(=O)O Z3400147310 [0,1,0,0,0,1|1,0,0]=3 280 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O Z995228186 [0,1,0,0,0,1|1,0,0]=3 281 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O Z995228562 [0,1,0,0,0,1|1,0,0]=3 282 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)Cl Z1269030667 [0,1,0,0,0,1|2,0,0]=4 283 B13R1.152 CC(C(=O)O)C(N)C1=CC=CC=C1 Z1272096620 [0,1,0,0,0,1|2,0,0]=4 284 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)N Z2182115487 [0,1,0,0,0,1|2,0,0]=4 285 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O Z802846100 [0,1,0,0,0,1|1,0,0]=3 286 B13R1.152 CC(C1=CC=CC=C1)C(O)C(=O)O Z802846688 [0,1,0,0,0,1|2,0,0]=4 287 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 Z1649893051 [0,1,0,0,0,1|1,0,0]=3 288 B13R1.202 CC(CC1=C(C=CC=C1)Cl)C(=O)O Z513661398 [0,1,0,0,0,1|2,0,0]=4 289 B13R1.202 CC(CC1=C(C=CC=C1)F)C(=O)O Z513661176 [0,1,0,0,0,1|2,0,0]=4 290 B13R1.202 CC1=C(C=CC=C1)CC(C)C(=O)O Z513660952 [0,1,0,0,0,1|2,0,0]=4 291 B13R1.202 NC(=O)C(N)CC1=C(C=CC=C1)Cl Z1258519447 [0,1,0,0,0,1|2,0,0]=4 292 B13R1.202 NC(CC1=C(C=CC=C1)Br)C(=O)O Z2217033050 [0,1,0,0,0,1|1,0,0]=3 293 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O Z1065645436 [0,1,0,0,0,1|1,0,0]=3 294 B13R1.202 NC(CC1=C(N=CC=C1)O)C(=O)O Z3492296846 [0,1,0,0,0,1|1,0,0]=3 295 B13R1.202 NC(CC1=CN=CNC1=O)C(=O)O Z1510031321 [0,1,0,0,0,1|2,0,0]=4 296 B13R1.202 O=C(O)C(O)CC1=C(C=CC=C1)Cl Z1269030424 [0,1,0,0,0,1|2,0,0]=4 297 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)O Z513624620 [0,1,0,0,0,1|2,0,0]=4 298 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O Z446011606 [0,1,0,0,0,1|1,0,0]=3 299 B13R1.418 COC(CC1=CC=CC=C1)C(=O)O Z1258977185 [0,1,0,0,0,1|2,0,0]=4 300 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O Z1258578382 [0,1,0,0,0,1|1,0,0]=3 301 B13R1.418 NCC(CC1=CC=NC=C1)C(=O)O Z2382197013 [0,1,0,0,0,1|1,0,0]=3 302 B13R1.418 NCC(CC1=CN=CC=C1)C(=O)O Z1601464443 [0,1,0,0,0,1|1,0,0]=3 303 B13R1.418 NCC(CC1=NC=CC=C1)C(=O)O Z1259273372 [0,1,0,0,0,1|1,0,0]=3 304 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O Z995179618 [0,1,0,0,0,1|2,0,0]=4 305 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O Z2680629352 [0,1,0,0,0,1|1,0,0]=3 306 B13R1.1073 CC(N)(CC1=CC=NC=C1)C(=O)O Z1251361035 [0,1,0,0,0,1|1,0,0]=3 307 B13R1.1073 CC(N)(CC1=NC=CC=C1)C(=O)O Z4830335089 [0,1,0,0,0,1|1,0,0]=3 308 B13R1.1073 CC(O)(CC1=CC=CC=C1)C(=O)O Z1079110682 [0,1,0,0,0,1|2,0,0]=4 309 B13R1.1073 C[C@@](O)(CC1=CC=CC=C1)C(=O)O Z1198165765 [0,1,0,0,0,1|2,0,0]=4 310 B13R1.1073 C[C@](O)(CC1=CC=CC=C1)C(=O)O Z1198165764 [0,1,0,0,0,1|2,0,0]=4 311 B13R1.340 O=C(O)CC(Br)C(=O)C1=CC=CS1 Z56774106 [0,1,0,0,0,1|1,0,1]=4 312 B13R1.2007 O=C(O)CS(=O)(=O)CC1=CC=CS1 Z228588774 [0,1,0,0,0,1|2,0,0]=4 313 B13R1.339 CC(NC(=O)C1=CC=CS1)C(=O)O Z57228584 [0,1,0,0,0,1|1,0,1]=4 314 B13R1.339 NC(CC(=O)C1=CC=CS1)C(=O)O Z1483934642 [0,1,0,0,0,1|0,0,0]=2 315 B13R1.554 COC(=O)[C@@H](C)NCC1=CN=CS1 Z1951628717 [0,1,0,0,0,1|2,0,0]=4 316 B13R1.3425 CC(SCC1=CC=C(S1)Br)C(=O)N Z900454964 [0,1,0,0,0,1|2,0,0]=4 317 B13R1.3425 CC1=CSC(=C1)CNC(=O)C(=O)O Z2229749871 [0,1,0,0,0,1|1,0,1]=4 318 B13R1.134 COC(=O)C(N)CN1C=C(C=N1)C Z2967324769 [0,2,0,0,0,0|2,0,0]=4 319 B13R1.3481 CC1=CC(=NN1CC(N)C(=O)O)C Z1762658197 [0,2,0,0,0,0|2,0,0]=4 320 B13R1.3481 CN1C=C(C(=N1)CC(N)C(=O)O)Cl Z2106599901 [0,2,0,0,0,0|2,0,0]=4 321 B13R1.3481 NC(CC1=C(SC(=C1)Br)Br)C(=O)O Z3481837686 [0,2,0,0,0,0|2,0,0]=4 322 B13R1.3481 NC(CC1=C(SC(=C1)Cl)Cl)C(=O)O Z3337481030 [0,2,0,0,0,0|2,0,0]=4 323 B13R1.66 CCOC(=O)[C@@H](N)CC1=CNC=N1 Z1266933876 [0,2,0,0,0,0|2,0,0]=4 324 B13R1.704 COC(=O)C(N)CC1=C(N=CN1)C Z4321016312 [0,2,0,0,0,0|2,0,0]=4 325 B13R1.704 COC(=O)C(N)CC1=CC=NN1C Z4124919946 [0,2,0,0,0,0|2,0,0]=4 326 B13R1.704 COC(=O)C(N)CC1=NC=CN1C Z3030989211 [0,2,0,0,0,0|2,0,0]=4 327 B13R1.3571 O=C(O)C(CC1=CC=CS1)C(=O)O Z1269201081 [0,2,0,0,0,0|1,0,0]=3 328 B13R1.5639 CC(CN)(CC1=CC=CO1)C(=O)O Z1526506420 [0,2,0,0,0,0|0,1,0]=3 329 B13R1.5639 CC(CN)(CC1=CC=CS1)C(=O)O Z1526538624 [0,2,0,0,0,0|0,0,0]=2 330 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 Z147647142 [0,0,1,1,0,0|1,0,1]=4 331 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 Z815264186 [0,0,1,1,0,0|1,0,1]=4 332 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 Z278101784 [0,0,1,1,0,0|1,0,1]=4 333 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 Z957336528 [0,0,1,1,0,0|1,0,1]=4 334 B11R2.15 O=CC1=CC2=C(N1)C=CS2 Z3243061496 [1,0,0,1,0,0|0,0,2]=4 335 B11R2.32 O=C[C@@H]1C[C@H]1C2=CC=CO2 Z3581743888 [1,0,0,1,0,0|1,1,0]=4 336 B11R2.32 O=C[C@@H]1C[C@H]1C2=CC=CS2 Z3581757674 [1,0,0,1,0,0|1,0,0]=3 337 B13R2.369 NC1CC2=C(C=CC=C2)NC1=O Z2692093571 [0,0,0,1,0,1|2,0,0]=4 338 B13R2.369 NC1CC2=C(C=CN=C2)NC1=O Z2786036033 [0,0,0,1,0,1|2,0,0]=4 339 B13R2.369 NC1CC2=C(N=CC=C2)NC1=O Z2787257522 [0,0,0,1,0,1|2,0,0]=4 340 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 Z1198162290 [0,0,0,1,0,1|2,0,0]=4 341 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2235584851 [0,0,0,1,0,1|2,0,0]=4 342 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=NC=C2 Z2379204261 [0,0,0,1,0,1|2,0,0]=4 343 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CN=CC=C2 Z2242045438 [0,0,0,1,0,1|2,0,0]=4 344 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=NC=CC=C2 Z3070727223 [0,0,0,1,0,1|2,0,0]=4 345 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 Z1235967724 [0,0,0,1,0,1|2,0,0]=4 346 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 Z1262510970 [0,0,0,1,0,1|2,0,0]=4 347 B13R2.435 NC(=O)C1CC2=C(N1)C=CC=C2 Z1255399804 [0,0,0,1,0,1|2,0,0]=4 348 B13R2.435 NC(=O)[C@@H]1CC2=C(N1)C=CC=C2 Z760046840 [0,0,0,1,0,1|2,0,0]=4 349 B13R2.435 O=C(O)C1CC2=C(C1)C=CC=C2 Z607808530 [0,0,0,1,0,1|2,0,0]=4 350 B13R2.435 O=C(O)C1CC2=C(C1)C=NC=C2 Z2213893333 [0,0,0,1,0,1|2,0,0]=4 351 B13R2.435 O=C(O)C1CC2=C(C1)N=CC=C2 Z1262528380 [0,0,0,1,0,1|2,0,0]=4 352 B13R2.435 O=C(O)C1CC2=C(C1)N=CC=N2 Z1416181876 [0,0,0,1,0,1|2,0,0]=4 353 B13R2.435 O=C(O)C1CC2=C(N1)C=CC=C2 Z343211224 [0,0,0,1,0,1|1,0,0]=3 354 B13R2.435 O=C(O)C1CC2=C(O1)C=CC=C2 Z104377952 [0,0,0,1,0,1|2,0,0]=4 355 B13R2.435 O=C(O)C1CC2=C(S1)C=CC=C2 Z221583708 [0,0,0,1,0,1|2,0,0]=4 356 B13R2.435 O=C(O)[C@@H]1CC2=C(N1)C=CC=C2 Z335079490 [0,0,0,1,0,1|1,0,0]=3 357 B13R2.430 O=C(O)C1CCC2=C(C1)N=CS2 Z1262557004 [0,0,0,1,0,1|2,0,0]=4 358 B13R2.400 CC1=CC2=C(S1)C=C(N2)C(=O)O Z1198177106 [0,1,0,1,0,0|0,0,2]=4 359 B13R2.400 O=C(O)C1=CC2=C(N1)C=C(S2)Br Z1269226703 [0,1,0,1,0,0|0,0,2]=4 360 B13R2.400 O=C(O)C1=CC2=C(N1)C=C(S2)Cl Z1269127511 [0,1,0,1,0,0|0,0,2]=4 361 B13R2.400 O=C(O)C1=CC2=C(N1)C=C(S2)F Z1258976837 [0,1,0,1,0,0|0,0,2]=4 362 B13R2.2978 CC1=CC=C(S1)[C@@H]2C[C@H]2C(=O)O Z2242045784 [0,1,0,1,0,0|1,0,0]=3 363 B13R2.2978 O=C(O)[C@@H]1C[C@H]1C2=CC=C(S2)Cl Z2309898851 [0,1,0,1,0,0|1,0,0]=3 364 B13R2.3678 CC1=CSC2=C1NC(=C2)C(=O)O Z1258976897 [0,1,0,1,0,0|0,0,2]=4 365 B13R2.3678 O=C(O)C1=CC2=C(N1)C(=CS2)Br Z1269132447 [0,1,0,1,0,0|0,0,2]=4 366 B13R2.3678 O=C(O)C1=CC2=C(N1)C(=CS2)Cl Z1416179551 [0,1,0,1,0,0|0,0,2]=4 367 B13R2.2296 O=C(CCl)[C@@H]1C[C@H]1C2=CC=CS2 Z4766648962 [0,1,0,1,0,0|2,0,0]=4 368 B13R2.2334 CN1C(=CC2=C1C=CS2)C(=O)O Z1201622984 [0,1,0,1,0,0|0,0,2]=4 369 B13R2.3437 CC1=C(SC=C1)[C@@H]2C[C@H]2C(=O)O Z2327124592 [0,1,0,1,0,0|1,0,0]=3 370 B9R1.11 CCC(N)C1=CC=CS1 Z744593088 [1,0,0,0,1,0|1,0,1]=4 371 B9R1.11 N#CC(N)C1=CC=CS1 Z2517097606 [1,0,0,0,1,0|1,0,1]=4 372 B9R1.11 NC(CO)C1=CC=CO1 Z1255405023 [1,0,0,0,1,0|0,1,1]=4 373 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [1,0,0,0,0,1|2,0,0]=4 374 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [1,0,0,0,0,1|1,0,1]=4 375 B11R1.40 NC(CO)CC1=CC=NC=C1 Z1824511267 [1,0,0,0,0,1|1,0,1]=4 376 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [1,0,0,0,0,1|1,0,1]=4 377 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [1,0,0,0,0,1|1,0,1]=4 378 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [1,0,0,0,0,1|2,0,0]=4 379 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [1,0,0,0,0,1|2,0,0]=4 380 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [1,0,0,0,0,1|1,0,0]=3 381 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [1,0,0,0,0,1|1,0,0]=3 382 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [1,0,0,0,0,1|1,0,0]=3 383 B11R1.91 O=C(O)CCC1=CN=CN=C1 Z1198279878 [1,0,0,0,0,1|2,0,0]=4 384 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [1,0,0,0,0,1|1,0,0]=3 385 B11R1.91 O=C(O)CCC1=NC=CC=N1 Z1255372831 [1,0,0,0,0,1|1,0,0]=3 386 B11R1.91 O=C(O)CCC1=NC=CN=C1 Z1198184629 [1,0,0,0,0,1|1,0,0]=3 387 B11R1.91 O=C(O)CCC1=NC=NC=C1 Z1184882132 [1,0,0,0,0,1|1,0,0]=3 388 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [1,0,0,0,0,1|2,0,0]=4 389 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [1,0,0,0,0,1|2,0,0]=4 390 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [1,0,0,0,0,1|2,0,0]=4 391 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [1,0,0,0,0,1|2,0,0]=4 392 B11R1.91 O=C(O)CNC1=NC=CC=N1 Z228588498 [1,0,0,0,0,1|2,0,0]=4 393 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [1,0,0,0,0,1|2,0,0]=4 394 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [1,0,0,0,0,1|2,0,0]=4 395 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [1,0,0,0,0,1|2,0,0]=4 396 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [1,0,0,0,0,1|2,0,0]=4 397 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [1,0,0,0,0,1|2,0,0]=4 398 B11R1.91 O=C(O)CSC1=NC=CC=N1 Z31205664 [1,0,0,0,0,1|2,0,0]=4 399 B11R1.172 CC(=O)NCCC1=CC=CS1 Z29191379 [1,0,0,0,0,1|1,0,0]=3 400 B11R1.172 NC(=O)CSCC1=CN=CS1 Z2589333503 [1,0,0,0,0,1|2,0,0]=4 401 B11R1.172 NC(=O)NCCC1=CC=CS1 Z90123296 [1,0,0,0,0,1|1,0,0]=3 402 B11R1.172 NC(=S)NCCC1=CC=CS1 Z211318972 [1,0,0,0,0,1|1,1,0]=4 403 B11R1.172 O=C(O)CCCC1=CC=CS1 Z56951195 [1,0,0,0,0,1|0,0,0]=2 404 B11R1.172 O=C(O)CCCC1=NC=CO1 Z1262554930 [1,0,0,0,0,1|1,1,0]=4 405 B11R1.172 O=C(O)CCCN1C=CC=C1 Z245326710 [1,0,0,0,0,1|2,0,0]=4 406 B11R1.172 O=C(O)CCCN1C=CC=N1 Z285049638 [1,0,0,0,0,1|2,0,0]=4 407 B11R1.172 O=C(O)CCNC1=NC=CS1 Z295404866 [1,0,0,0,0,1|1,0,0]=3 408 B11R1.172 O=C(O)CSCC1=CC=CS1 Z57983103 [1,0,0,0,0,1|0,0,0]=2 409 B11R1.172 O=C(O)CSCC1=CSC=C1 Z107334134 [1,0,0,0,0,1|2,0,0]=4 410 B11R1.172 O=C(O)CSCC1=CSC=N1 Z149152078 [1,0,0,0,0,1|2,0,0]=4 411 B11R1.172 O=C(O)CSCC1=NC=CN1 Z1162907897 [1,0,0,0,0,1|2,0,0]=4 412 B11R1.172 O=C([O-])CCCC1=NC=CS1 Z2010010280 [1,0,0,0,0,1|1,0,1]=4 413 B11R1.172 O=C([O-])COCC1=CC=CO1 Z818727290 [1,0,0,0,0,1|0,1,1]=4 414 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [0,0,0,0,0,2|1,0,0]=3 415 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [0,0,0,0,0,2|2,0,0]=4 416 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O Z425469932 [0,0,0,0,0,2|2,0,0]=4 417 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O Z431541708 [0,0,0,0,0,2|2,0,0]=4 418 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O Z426041612 [0,0,0,0,0,2|2,0,0]=4 419 B13R1.351 CC(NCC1=CN=CC=C1)C(=O)O Z440613690 [0,0,0,0,0,2|2,0,0]=4 420 B13R1.351 CC(NCC1=NC=CC=C1)C(=O)O Z1270255478 [0,0,0,0,0,2|2,0,0]=4 421 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O Z316258798 [0,0,0,0,0,2|2,0,0]=4 422 B13R1.351 CC(OCC1=CC=NC=C1)C(=O)O Z2235681270 [0,0,0,0,0,2|2,0,0]=4 423 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Z18753939 [0,0,0,0,0,2|2,0,0]=4 424 B13R1.351 C[C@H](NCC1=NC=CC=C1)C(=O)O Z5717815294 [0,0,0,0,0,2|2,0,0]=4 425 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O Z1255498772 [0,0,0,0,0,2|2,0,0]=4 426 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O Z317025074 [0,0,0,0,0,2|1,0,0]=3 427 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O Z3004510439 [0,0,0,0,0,2|1,0,0]=3 428 B13R1.351 NC(CCC1=NC=CC=C1)C(=O)O Z2310672466 [0,0,0,0,0,2|1,0,0]=3 429 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O Z1255434715 [0,0,0,0,0,2|1,0,0]=3 430 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O Z1255399095 [0,0,0,0,0,2|1,0,0]=3 431 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 Z1259340035 [0,0,0,0,0,2|2,0,0]=4