0 B17R2.9167 CC(SC1=CC2=C(C=CC=C2)C=C1)C(=O)N Z17458457 [0,0,0,0,0,0|3,0,0]=3 1 B17R2.9167 CC(SC1=NC2=C(C=CC=C2)C=C1)C(=O)N Z19647056 [0,0,0,0,0,0|4,0,0]=4 2 B17R2.9167 C[C@H](OC1=CC2=C(C=CC=C2)C=C1)C(=O)O Z1508918419 [0,0,0,0,0,0|2,0,0]=2 3 B17R2.9167 C[C@H](OC1=CC2=C(C=CC=C2)N=C1)C(=O)O Z1924120523 [0,0,0,0,0,0|3,0,0]=3 4 B17R2.9167 NC(CC1=CC2=C(C=CC=C2)N=C1)C(=O)O Z3083125006 [0,0,0,0,0,0|1,0,0]=1 5 B17R2.9167 N[C@@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O Z2695741431 [0,0,0,0,0,0|0,0,0]=0 6 B17R2.9167 O=C(O)C(=O)CC1=CC2=C(C=CC=C2)C=C1 Z271004474 [0,0,0,0,0,0|1,0,1]=2 7 B17R2.9167 O=C(O)C(O)CC1=CC2=C(C=C1)N=CC=C2 Z3742606306 [0,0,0,0,0,0|2,0,0]=2 8 B16R2.477 N=C(N)COC1=CC2=C(C=CC=C2)C=C1 Z4450271701 [1,0,0,0,0,0|3,0,0]=4 9 B16R2.477 NC(=NCC1=CC2=C(C=CC=C2)C=C1)N Z2518200317 [1,0,0,0,0,0|3,0,0]=4 10 B16R2.477 NC(=O)COC1=CC2=C(C=CC=C2)C=C1 Z19834621 [1,0,0,0,0,0|2,0,0]=3 11 B16R2.477 NC(=O)CSC1=NC2=C(C=CC=C2)C=C1 Z19647382 [1,0,0,0,0,0|3,0,0]=4 12 B16R2.477 O=C(O)/C=C/C1=CC2=C(C=C1)N=CC=C2 Z364007034 [1,0,0,0,0,0|1,0,2]=4 13 B16R2.477 O=C(O)/C=C/C1=CC2=C(C=CC=C2)C=C1 Z2942853570 [1,0,0,0,0,0|0,0,2]=3 14 B16R2.477 O=C(O)/C=C/C1=NC2=C(C=CC=C2)C=C1 Z2737710986 [1,0,0,0,0,0|1,0,2]=4 15 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)C=C1 Z317037912 [1,0,0,0,0,0|0,0,0]=1 16 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)N=C1 Z1272682544 [1,0,0,0,0,0|1,0,0]=2 17 B16R2.477 O=C(O)COC1=CC2=C(C=CC=C2)C=C1 Z57246951 [1,0,0,0,0,0|1,0,0]=2 18 B16R2.477 O=C(O)CSC1=CC2=C(C=CC=C2)C=C1 Z56755986 [1,0,0,0,0,0|1,0,0]=2 19 B16R2.477 O=C(O)CSC1=NC2=C(C=CC=C2)N=C1 Z57040471 [1,0,0,0,0,0|3,0,0]=4 20 B16R2.5347 O=C(CC1=CC2=C(C=CC=C2)C=C1)NO Z59184054 [1,0,0,0,0,0|2,0,1]=4 21 B18R2.30019 CC(OC1=CC2=C(C=CC=C2)C=C1)C(=O)NN Z56938005 [0,1,0,0,0,0|3,0,0]=4 22 B18R2.30019 CNC(=O)C(C)SC1=CC2=C(C=CC=C2)C=C1 Z92222000 [0,1,0,0,0,0|3,0,0]=4 23 B18R2.30019 COC(=O)C(N)CC1=CC2=C(C=CC=C2)C=C1 Z208192100 [0,1,0,0,0,0|0,0,0]=1 24 B18R2.30019 COC(=O)C(N)CC1=CC2=C(C=CC=C2)N=C1 Z3398294729 [0,1,0,0,0,0|1,0,0]=2 25 B18R2.339507 CC(OC1=CC2=C(C=C1)C=C(C=C2)Br)C(=O)N Z18525952 [0,1,0,0,0,0|3,0,0]=4 26 B18R2.559985 CC(C)(OC1=CC2=C(C=CC=C2)C=C1)C(=O)O Z57229607 [0,1,0,0,0,0|2,0,0]=3 27 B16R1.4122 CC(NC(=O)/C=C/C1=CC=CC=C1)C(=O)O Z56347601 [0,0,1,0,0,0|3,0,0]=4 28 B16R1.4122 C[C@H](NC(=O)/C=C/C1=CC=CC=C1)C(=O)O Z57023692 [0,0,1,0,0,0|3,0,0]=4 29 B18R3.117881 O=C(O)C1=CC2=C3C=CC=CC3=CC=C2N1 Z119989538 [0,0,0,1,0,0|2,0,1]=4 30 B18R3.117881 O=C(O)C1=CC2=C3C=CC=CC3=CC=C2O1 Z57182455 [0,0,0,1,0,0|2,0,1]=4 31 B16R2.12 CC(CN1C=CC2=C1C=CC=C2)C(=O)O Z431542264 [0,0,0,0,1,0|2,0,0]=3 32 B16R2.12 CC(CN1C=NC2=C1C=CC=C2)C(=O)O Z420848232 [0,0,0,0,1,0|3,0,0]=4 33 B16R2.12 CC(CN1N=CC2=C1C=CC=C2)C(=O)O Z959320722 [0,0,0,0,1,0|3,0,0]=4 34 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O Z57248626 [0,0,0,0,1,0|1,0,0]=2 35 B16R2.12 NC(CC1=CNC2=C1C=CC=N2)C(=O)O Z1274773112 [0,0,0,0,1,0|2,0,0]=3 36 B16R2.12 NC(CC1=CNC2=C1C=NC=N2)C(=O)O Z2010009926 [0,0,0,0,1,0|3,0,0]=4 37 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O Z2289799514 [0,0,0,0,1,0|2,0,0]=3 38 B16R2.12 NC(CC1=CNC2=C1N=CC=N2)C(=O)O Z1508941507 [0,0,0,0,1,0|3,0,0]=4 39 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O Z1416286798 [0,0,0,0,1,0|1,0,0]=2 40 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O Z995104684 [0,0,0,0,1,0|1,0,0]=2 41 B16R2.12 NC(CN1C=CC2=C1N=CC=C2)C(=O)O Z360059800 [0,0,0,0,1,0|2,0,0]=3 42 B16R2.12 NC(CN1C=NC2=C1C=CC=C2)C(=O)O Z2289798387 [0,0,0,0,1,0|2,0,0]=3 43 B16R2.12 NC(CN1CCC2=C1C=CC=C2)C(=O)O Z4327136236 [0,0,0,0,1,0|1,0,2]=4 44 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O Z756440056 [0,0,0,0,1,0|1,0,0]=2 45 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O Z256709618 [0,0,0,0,1,0|1,0,0]=2 46 B16R2.6257 NC(CC1=CC2=C(C=C1)OCO2)C(=O)O Z381429884 [0,0,0,0,1,0|2,0,1]=4 47 B16R2.6271 NC(CC1=CC2=C(O1)C=CC=C2)C(=O)O Z1762997257 [0,0,0,0,1,0|1,0,0]=2 48 B16R2.6284 CC(C(=O)O)C1=CC2=C(C=CC=C2)C=C1 Z792377286 [0,0,0,0,1,0|1,0,0]=2 49 B16R2.6284 NC(=O)C(N)C1=CC2=C(C=CC=C2)C=C1 Z477338152 [0,0,0,0,1,0|1,0,0]=2 50 B16R2.6284 NC(C(=O)O)C1=CC2=C(C=CC=C2)C=C1 Z2028214384 [0,0,0,0,1,0|0,0,0]=1 51 B16R2.6284 O=C(O)C(=O)C1=CC2=C(C=CC=C2)C=C1 Z1508917455 [0,0,0,0,1,0|1,0,1]=3 52 B18R2.71948 CC(=O)NC(C)CC1=CC2=C(C=CC=C2)C=C1 Z993439378 [0,0,0,0,0,1|2,0,0]=3 53 B18R2.71948 CN(CC(=O)N)CC1=CC2=C(C=CC=C2)C=C1 Z103885952 [0,0,0,0,0,1|3,0,0]=4 54 B15R1.5919 O=C(O)CNC(=O)/C=C/C1=CC=CC=C1 Z56883153 [1,0,1,0,0,0|2,0,0]=4 55 B15R2.352 O=CCCC1=CC2=C(C=CC=C2)N=C1 Z1233208003 [2,0,0,0,0,0|1,0,0]=3 56 B15R2.352 OCCCC1=NC2=C(C=CC=C2)C=C1 Z1198265860 [2,0,0,0,0,0|1,0,1]=4 57 B15R2.1668 CC(N)CC1=CC2=C(C=CC=C2)C=C1 Z285143892 [2,0,0,0,0,0|0,0,1]=3 58 B15R2.1668 CC(N)CC1=NC2=C(C=CC=C2)C=C1 Z1696091757 [2,0,0,0,0,0|1,0,1]=4 59 B15R2.1668 NC(=O)CC1=CC2=C(C=CC=C2)C=C1 Z33546100 [2,0,0,0,0,0|0,0,1]=3 60 B15R2.1668 O=C(O)CC1=CC2=C(C=CC=C2)C=C1 Z56754861 [2,0,0,0,0,0|1,0,1]=4 61 B17R2.556 CNC(=O)CCC1=CC2=C(C=CC=C2)C=C1 Z729102816 [1,1,0,0,0,0|1,0,0]=3 62 B17R2.556 CNC(=O)CSC1=CC2=C(C=CC=C2)C=C1 Z17458116 [1,1,0,0,0,0|2,0,0]=4 63 B17R2.556 COC(=O)C#CC1=CC2=C(C=CC=C2)C=C1 Z1235950590 [1,1,0,0,0,0|0,0,2]=4 64 B17R2.556 NNC(=O)COC1=CC2=C(C=CC=C2)C=C1 Z57182812 [1,1,0,0,0,0|2,0,0]=4 65 B17R2.5006 CC1=C(C=C2C=CC=NC2=N1)CCC(=O)O Z2044766676 [1,1,0,0,0,0|2,0,0]=4 66 B17R2.5006 O=C(O)CCC1=CC2=C(C=CC=C2)NC1=O Z1508914306 [1,1,0,0,0,0|1,0,0]=3 67 B17R2.5006 O=C(O)CCC1=NC2=C(C=CC=C2)NC1=O Z56862720 [1,1,0,0,0,0|2,0,0]=4 68 B17R2.5006 O=C(O)CCC1=NC2=C(C=CC=C2)OC1=O Z57042007 [1,1,0,0,0,0|2,0,0]=4 69 B17R2.18967 CC(=O)CC(=O)C1=CC2=C(C=CC=C2)C=C1 Z56788807 [1,1,0,0,0,0|1,0,1]=4 70 B17R2.18967 CC(=O)NC(C)C1=CC2=C(C=CC=C2)C=C1 Z28097121 [1,1,0,0,0,0|2,0,0]=4 71 B17R2.18967 CN(CC(=O)N)C1=CC2=C(C=CC=C2)C=C1 Z54825122 [1,1,0,0,0,0|2,0,0]=4 72 B17R2.18967 NC(CC(=O)O)C1=CC2=C(C=CC=C2)C=C1 Z317027278 [1,1,0,0,0,0|0,0,0]=2 73 B17R2.19729 O=C(O)COC1=CC2=C(C=CC(=O)O2)C=C1 Z56801074 [1,1,0,0,0,0|2,0,0]=4 74 B17R2.19759 CC(=O)COC1=CC2=C(C=C1)C=C(C=C2)Br Z18526131 [1,1,0,0,0,0|2,0,0]=4 75 B17R2.19759 NC(=O)COC1=CC2=C(C=C1)C=C(C=C2)Br Z18526126 [1,1,0,0,0,0|2,0,0]=4 76 B17R2.19759 O=C(O)COC1=CC2=C(C=C1)C=C(C=C2)Br Z65585408 [1,1,0,0,0,0|1,0,0]=3 77 B17R2.40403 CC1=C2C=CC=CC2=NC(=C1)SCC(=O)O Z31205889 [1,1,0,0,0,0|2,0,0]=4 78 B17R2.40403 O=C(O)CCC1=NC2=C(C=CC=C2)C(=O)N1 Z56869288 [1,1,0,0,0,0|2,0,0]=4 79 B17R2.155580 NC(=O)COC1=C(C2=C(C=CC=C2)C=C1)Br Z15832530 [1,1,0,0,0,0|2,0,0]=4 80 B17R2.155580 O=C(O)CCN1C=NC2=C(C1=O)C=CC=C2 Z168879920 [1,1,0,0,0,0|2,0,0]=4 81 B17R2.155580 O=C(O)COC1=C(C2=C(C=CC=C2)C=C1)Br Z57202805 [1,1,0,0,0,0|1,0,0]=3 82 B17R2.155580 O=C(O)CSC1=C(C2=C(C=CC=C2)C=C1)Br Z56775414 [1,1,0,0,0,0|1,0,0]=3 83 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 Z56921839 [0,1,0,0,1,0|1,0,0]=3 84 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=N2 Z4918299399 [0,1,0,0,1,0|2,0,0]=4 85 B17R2.7 COC(=O)C(N)CC1=COC2=C1C=CC=C2 Z2786042022 [0,1,0,0,1,0|1,0,0]=3 86 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 Z1536943518 [0,1,0,0,1,0|1,0,0]=3 87 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)F)C(=O)O Z1332305266 [0,1,0,0,1,0|1,0,0]=3 88 B17R2.5003 N[C@@H](CC1C(=O)NC2=C1C=CC=C2)C(=O)O Z4154843098 [0,1,0,0,1,0|1,0,1]=4 89 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Br)C(=O)O Z1255605966 [0,1,0,0,1,0|1,0,0]=3 90 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)O)C(=O)O Z2044741046 [0,1,0,0,1,0|1,0,0]=3 91 B17R2.37147 CC1=C2NC=C(C2=CC=C1)CC(N)C(=O)O Z1508920449 [0,1,0,0,1,0|1,0,0]=3 92 B17R2.37147 CC1=C2OC=C(C2=CC=C1)CC(N)C(=O)O Z3717373756 [0,1,0,0,1,0|1,0,0]=3 93 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)Br)C(=O)O Z1508591890 [0,1,0,0,1,0|1,0,0]=3 94 B17R2.4858 N[C@@H](CC1=CC2=C(C=C1)OC(=O)N2)C(=O)O Z3004432407 [0,1,0,0,1,0|2,0,0]=4 95 B17R2.7477 NCC(CC1=CC2=C(S1)C=CC=C2)C(=O)O Z4650465656 [0,1,0,0,1,0|1,0,0]=3 96 B17R2.186302 NC(CC1=CC2=C(N1)C=CC(=C2)Cl)C(=O)O Z2050068067 [0,1,0,0,1,0|1,0,0]=3 97 B17R2.44734 CC(C)(C(=O)O)C1=CC2=C(C=CC=C2)C=C1 Z982130430 [0,1,0,0,1,0|1,0,0]=3 98 B19R2.1960 COC(=O)C(C)SCC1=NC2=C(C=CC=C2)C=C1 Z1742663817 [0,1,0,0,0,1|2,0,0]=4 99 B19R2.112394 CC(C(=O)N)N(C)CC1=CC2=C(C=CC=C2)C=C1 Z103886326 [0,1,0,0,0,1|2,0,0]=4 100 B19R2.23335 CONC(=O)N(C)CC1=CC2=C(C=CC=C2)C=C1 Z332501314 [0,2,0,0,0,0|2,0,0]=4 101 B19R2.209161 COC(=O)C(CN)CC1=CC2=C(C=CC=C2)C=C1 Z1267881660 [0,2,0,0,0,0|0,0,0]=2 102 B19R2.1013106 CC(C)C(OC1=CC2=C(C=CC=C2)C=C1)C(=O)O Z216551656 [0,2,0,0,0,0|2,0,0]=4 103 B17R2.520754 CC(CC1=C2C=CC=CC2=CN=C1)C(=O)O Z2096659213 [0,0,1,1,0,0|2,0,0]=4 104 B17R2.520754 CC(OC1=C2C=CC=CC2=CC=C1)C(=O)O Z111834290 [0,0,1,1,0,0|2,0,0]=4 105 B17R2.520754 NC(CC1=C2C=CC=CC2=CC=N1)C(=O)O Z5620690588 [0,0,1,1,0,0|1,0,0]=3 106 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O Z995228046 [0,0,1,1,0,0|0,0,0]=2 107 B17R2.520754 O=C(O)C(O)CC1=C2C=CC=CC2=CC=C1 Z1269030425 [0,0,1,1,0,0|1,0,0]=3 108 B17R2.16 NC(CCC1=CNC2=C1C=CC=C2)C(=O)O Z3681285360 [0,0,1,1,0,0|1,0,1]=4 109 B19R3.247226 COC(=O)C1CC2=C3C=CC=CC3=CC=C2O1 Z57239013 [0,1,0,1,0,0|2,0,0]=4 110 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 Z276142282 [1,0,0,0,1,0|2,0,0]=4 111 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 Z33546345 [1,0,0,0,1,0|2,0,0]=4 112 B15R2.6 O=C(O)CCC1=CCC2=C1C=CC=C2 Z1262514880 [1,0,0,0,1,0|0,0,1]=3 113 B15R2.6 O=C(O)CCC1=CN=C2N1C=CC=C2 Z5336044044 [1,0,0,0,1,0|2,0,0]=4 114 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 Z104482518 [1,0,0,0,1,0|1,0,0]=3 115 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 Z995104750 [1,0,0,0,1,0|1,0,0]=3 116 B15R2.6 O=C(O)CCN1C=CC2=C1C=CC=C2 Z57316204 [1,0,0,0,1,0|1,0,0]=3 117 B15R2.6 O=C(O)CCN1C=CC2=C1N=CC=C2 Z1216818692 [1,0,0,0,1,0|2,0,0]=4 118 B15R2.6 O=C(O)CCN1N=CC2=C1C=CC=C2 Z57070422 [1,0,0,0,1,0|2,0,0]=4 119 B15R2.1660 O=C(O)CCC1=CC2=C(O1)C=CC=C2 Z137628830 [1,0,0,0,1,0|1,0,0]=3 120 B15R2.1660 O=C(O)CCC1=NC2=C(N1)C=CC=C2 Z57115077 [1,0,0,0,1,0|2,0,0]=4 121 B15R2.1660 O=C(O)CCC1=NC2=C(O1)C=CC=C2 Z57990849 [1,0,0,0,1,0|2,0,0]=4 122 B15R2.1660 O=C(O)CCC1=NC2=C(S1)C=CC=C2 Z56867230 [1,0,0,0,1,0|2,0,0]=4 123 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)NC=C2 Z1198310844 [1,0,0,0,1,0|1,0,0]=3 124 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OC=N2 Z1813194737 [1,0,0,0,1,0|2,0,0]=4 125 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 Z1069312128 [1,0,0,0,1,0|1,0,1]=4 126 B15R2.1601 CC(C=O)C1=CC2=C(C=CC=C2)C=C1 Z1268606413 [1,0,0,0,1,0|1,0,0]=3 127 B15R2.1601 CC(CO)C1=CC2=C(C=CC=C2)C=C1 Z1268632146 [1,0,0,0,1,0|1,0,1]=4 128 B15R2.1601 O=CC(=O)C1=CC2=C(C=CC=C2)C=C1 Z1741976183 [1,0,0,0,1,0|1,0,1]=4 129 B15R2.4244 CC(C(=O)O)C1=CC2=C(O1)C=CC=C2 Z792377214 [0,0,0,0,2,0|2,0,0]=4 130 B17R2.5669 C=C(C)CNCC1=CC2=C(C=CC=C2)C=C1 Z1741933616 [1,0,0,0,0,1|2,0,0]=4 131 B17R2.5669 CC(=O)NCCC1=CC2=C(C=CC=C2)C=C1 Z384256698 [1,0,0,0,0,1|1,0,0]=3 132 B17R2.5669 C[C@@H](O)CNCC1=CC2=C(C=CC=C2)C=C1 Z1564499615 [1,0,0,0,0,1|1,0,1]=4 133 B17R2.5669 O=C(O)CCCC1=NC2=C(C=CC=N2)C=C1 Z4898404245 [1,0,0,0,0,1|2,0,0]=4 134 B17R2.5669 O=C(O)CCOC1=CC2=C(C=CC=C2)C=C1 Z240085208 [1,0,0,0,0,1|0,0,0]=2 135 B19R2.112274 CN(CCC(=O)O)CC1=CC2=C(C=CC=C2)C=C1 Z1459932319 [0,0,0,0,0,2|2,0,0]=4