0 B14R1.101 COC1=C(C=CC(=C1)C#N)OC(=O)C Z26991942 [0,0,0,0,0,0|1,0,1]=2 1 B14R1.101 COC1=C(C=CC(=C1)C#N)OC(C)C Z54550648 [0,0,0,0,0,0|2,0,2]=4 2 B14R1.101 COC1=C(C=CC(=C1)C=O)OC(=O)C Z57887888 [0,0,0,0,0,0|0,0,0]=0 3 B14R1.101 COC1=C(C=CC(=C1)C=O)OC(C)C Z53833579 [0,0,0,0,0,0|1,0,1]=2 4 B14R1.101 COC1=C(C=CC(=C1)C=O)OC(F)F Z55671898 [0,0,0,0,0,0|2,0,1]=3 5 B14R1.101 COC1=C(C=CC(=C1)SC)NC(=O)N Z1892986420 [0,0,0,0,0,0|4,0,0]=4 6 B14R1.101 COC1=CC(=C(C=C1)CC(=O)N)OC Z62734485 [0,0,0,0,0,0|4,0,0]=4 7 B14R1.101 COC1=CC(=C(C=C1)CC(=O)O)OC Z85921031 [0,0,0,0,0,0|4,0,0]=4 8 B13R1.51 COC1=C(C=CC(=C1)Br)CC(=O)O Z1269190510 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.51 COC1=C(C=CC(=C1)N)NC(=O)C Z239121768 [1,0,0,0,0,0|2,0,0]=3 10 B13R1.653 CC(C)OC1=C(C=C(C=C1)C=O)F Z335440394 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.653 CC(C)OC1=C(C=C(C=C1)C=O)O Z1255426186 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)C Z56871751 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.1249 CCOC1=C(C=C(C=C1)C#N)OC Z54794538 [1,0,0,0,0,0|1,0,2]=4 14 B13R1.1249 CCOC1=C(C=C(C=C1)C=N)OC Z56940958 [1,0,0,0,0,0|1,0,1]=3 15 B13R1.1249 CCOC1=C(C=C(C=C1)C=O)OC Z53833578 [1,0,0,0,0,0|0,0,1]=2 16 B13R1.1249 CCOC1=C(C=C(C=C1)CN)OC Z425389698 [1,0,0,0,0,0|1,0,2]=4 17 B13R1.1249 CCOC1=C(C=C(C=C1)CO)OC Z56983152 [1,0,0,0,0,0|0,0,3]=4 18 B13R1.1249 COC1=CC(=C(C=C1)CC=O)OC Z1020782876 [1,0,0,0,0,0|3,0,0]=4 19 B15R1.37 COC1=C(C=CC(=C1)C(=O)C)OC(F)F Z55672073 [0,1,0,0,0,0|2,0,1]=4 20 B15R1.37 COC1=C(C=CC(=C1)C(=O)O)OC(=O)C Z928319550 [0,1,0,0,0,0|0,0,0]=1 21 B15R1.37 COC1=C(C=CC(=C1)C(=O)O)OC(C)C Z56858203 [0,1,0,0,0,0|1,0,1]=3 22 B15R1.37 COC1=C(C=CC(=C1)C(=O)O)OC(F)F Z56886516 [0,1,0,0,0,0|2,0,1]=4 23 B15R1.37 CSC1=C(C=CC(=C1)C(=O)O)NC(=O)C Z448098410 [0,1,0,0,0,0|1,1,0]=3 24 B15R1.594 C=CCC1=CC(=C(C=C1)OC(=O)C)OC Z28076598 [0,1,0,0,0,0|1,0,0]=2 25 B15R1.594 COC1=C(C=CC(=C1)/C=N/O)OC(C)C Z49568966 [0,1,0,0,0,0|1,0,2]=4 26 B15R1.712 COC1=C(C(=CC(=C1)C#N)Cl)OC(=O)C Z28792542 [0,1,0,0,0,0|1,0,1]=3 27 B15R1.712 COC1=C(C(=CC(=C1)C=O)Br)OC(=O)C Z57887714 [0,1,0,0,0,0|0,0,0]=1 28 B15R1.712 COC1=C(C(=CC(=C1)C=O)Br)OC(F)F Z55671948 [0,1,0,0,0,0|2,0,1]=4 29 B15R1.712 COC1=C(C(=CC(=C1)C=O)Cl)OC(=O)C Z57887690 [0,1,0,0,0,0|0,0,0]=1 30 B15R1.712 COC1=C(C(=CC(=C1)C=O)Cl)OC(C)C Z57000574 [0,1,0,0,0,0|1,0,1]=3 31 B15R1.712 COC1=C(C(=CC(=C1)C=O)Cl)OC(F)F Z56979390 [0,1,0,0,0,0|2,0,1]=4 32 B15R1.1822 COC1=C(C=C(C(=C1)C=O)Br)OC(=O)C Z1203159939 [0,1,0,0,0,0|0,0,0]=1 33 B15R1.1822 COC1=C(C=C(C(=C1)C=O)Br)OC(C)C Z1203160030 [0,1,0,0,0,0|1,0,1]=3 34 B15R1.1822 COC1=C(C=C(C(=C1)C=O)Cl)OC(C)C Z1203160104 [0,1,0,0,0,0|1,0,1]=3 35 B15R1.1822 COC1=CC(=C(C=C1NC(=O)C)Br)OC Z1744194310 [0,1,0,0,0,0|3,0,0]=4 36 B15R1.1822 COC1=CC(=C(C=C1NC(=O)C)Cl)OC Z29679124 [0,1,0,0,0,0|3,0,0]=4 37 B15R1.1902 CCC(=O)OC1=C(C=C(C=C1)C=O)OC Z57887694 [0,1,0,0,0,0|0,0,0]=1 38 B15R1.1902 COC1=CC(=C(C=C1)NC(=O)CCl)OC Z56869413 [0,1,0,0,0,0|3,0,0]=4 39 B15R1.9239 CCOC1=C(C=CC(=C1)C#N)OC(=O)C Z28611266 [0,1,0,0,0,0|1,0,1]=3 40 B15R1.9239 CCOC1=C(C=CC(=C1)C=O)OC(=O)C Z57887892 [0,1,0,0,0,0|0,0,0]=1 41 B15R1.9239 CCOC1=C(C=CC(=C1)C=O)OC(C)C Z53836957 [0,1,0,0,0,0|1,0,1]=3 42 B15R1.9239 CCOC1=C(C=CC(=C1)C=O)OC(F)F Z55671961 [0,1,0,0,0,0|2,0,1]=4 43 B15R2.2034 COC1=C2OC(=CC2=CC(=C1)C=O)C Z1198175893 [0,0,0,1,0,0|1,0,0]=2 44 B15R2.2034 COC1=C2OC(=O)SC2=CC(=C1)C=O Z979713980 [0,0,0,1,0,0|1,0,0]=2 45 B15R2.4779 CC1(CCC2=C(O1)C=CC(=C2)C=O)C Z750671102 [0,0,0,1,0,0|2,0,1]=4 46 B13R1.99 COC1=C(C=CC(=C1)C#N)C(=O)O Z1198330390 [0,0,0,0,1,0|2,0,1]=4 47 B13R1.99 COC1=C(C=CC(=C1)C=O)C(=O)O Z1262517185 [0,0,0,0,1,0|1,0,0]=2 48 B13R1.99 COC1=C(C=CC(=C1)C=O)C(F)F Z1198171820 [0,0,0,0,1,0|2,0,1]=4 49 B13R1.99 COC1=C(C=CC(=C1)C=O)[N+](=O)[O-] Z959304258 [0,0,0,0,1,0|2,0,0]=3 50 B13R1.99 COC1=C(C=CC(=C1)CO)C(=O)O Z1262514029 [0,0,0,0,1,0|1,0,2]=4 51 B13R1.99 COC1=C(C=CC(=C1)SC)C(=O)N Z33546776 [0,0,0,0,1,0|3,0,0]=4 52 B13R1.99 COC1=C(C=CC(=C1)SC)C(=O)O Z104477850 [0,0,0,0,1,0|3,0,0]=4 53 B13R1.99 COC1=CC(=C(C=C1)C(=O)C)OC Z54850161 [0,0,0,0,1,0|2,0,0]=3 54 B13R1.99 COC1=CC(=C(C=C1)C(=O)N)OC Z33546669 [0,0,0,0,1,0|3,0,0]=4 55 B13R1.99 COC1=CC(=C(C=C1)C(=O)O)OC Z104476538 [0,0,0,0,1,0|3,0,0]=4 56 B13R1.99 COC1=NC(=C(C=C1)C(=O)C)OC Z1255489949 [0,0,0,0,1,0|3,0,0]=4 57 B15R1.1904 C=C(C)COC1=C(C=C(C=C1)C#N)OC Z54550772 [0,0,0,0,0,1|2,0,1]=4 58 B15R1.1904 CCC1=CC(=C(C=C1)OCC(=O)O)OC Z1508936773 [0,0,0,0,0,1|2,0,1]=4 59 B15R1.1904 COC1=C(C=CC(=C1)C#N)OCC(=O)N Z16862963 [0,0,0,0,0,1|2,0,1]=4 60 B15R1.1904 COC1=C(C=CC(=C1)C#N)OCC(=O)O Z57756828 [0,0,0,0,0,1|2,0,1]=4 61 B15R1.1904 COC1=C(C=CC(=C1)C=O)OCC(=O)N Z19660630 [0,0,0,0,0,1|1,0,0]=2 62 B15R1.1904 COC1=C(C=CC(=C1)C=O)OCC(=O)O Z55993119 [0,0,0,0,0,1|1,0,0]=2 63 B15R1.1904 COC1=C(C=CC(=C1)C=O)OCC(C)C Z53833581 [0,0,0,0,0,1|1,0,1]=3 64 B15R1.1904 COC1=C(C=CC(=C1)C=O)OCC(F)F Z608352788 [0,0,0,0,0,1|2,0,1]=4 65 B15R1.1904 COC1=C(C=CC(=C1)CN)OCC(=O)N Z415728138 [0,0,0,0,0,1|2,0,1]=4 66 B12R1.75 COC1=C(C=CC=C1)CC(=O)N Z33545381 [2,0,0,0,0,0|2,0,0]=4 67 B12R1.75 COC1=C(C=CC=C1)CC(=O)O Z104485032 [2,0,0,0,0,0|2,0,0]=4 68 B12R1.75 COC1=C(C=CC=C1)NC(=O)C Z27797377 [2,0,0,0,0,0|1,0,0]=3 69 B12R1.75 COC1=C(C=CC=C1)NC(=O)N Z56754689 [2,0,0,0,0,0|2,0,0]=4 70 B12R1.75 CSC1=C(C=CC=C1)CC(=O)C Z1641983304 [2,0,0,0,0,0|1,1,0]=4 71 B12R1.75 CSC1=C(C=CC=C1)NC(=O)C Z26434950 [2,0,0,0,0,0|1,1,0]=4 72 B12R1.112 CCOC1=C(C=C(C=C1)N)OC Z57011404 [2,0,0,0,0,0|1,0,1]=4 73 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)C Z26621747 [2,0,0,0,0,0|2,0,0]=4 74 B12R1.233 CC(=O)NC1=C(C=C(C=C1)C)C Z27801599 [2,0,0,0,0,0|1,0,1]=4 75 B12R1.233 CC(=O)NC1=C(C=C(C=C1)C)O Z33451994 [2,0,0,0,0,0|1,0,1]=4 76 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)C Z29827980 [2,0,0,0,0,0|2,0,0]=4 77 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)C Z30179236 [2,0,0,0,0,0|2,0,0]=4 78 B12R1.233 CC(=O)NC1=C(C=C(C=C1)N)C Z239121088 [2,0,0,0,0,0|2,0,0]=4 79 B12R1.233 CC(=O)OC1=C(C=C(C=C1)Br)C Z1516170019 [2,0,0,0,0,0|1,0,0]=3 80 B12R1.233 CC(=O)OC1=C(C=C(C=C1)Br)Cl Z26745892 [2,0,0,0,0,0|2,0,0]=4 81 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O Z104472864 [2,0,0,0,0,0|1,0,0]=3 82 B12R1.4 CC(=O)NC1=NC=C(C=C1)C=O Z1255448873 [2,0,0,0,0,0|2,0,0]=4 83 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O Z57887890 [2,0,0,0,0,0|0,0,0]=2 84 B12R1.4 CC(=O)OC1=CC=C(C=C1)CCl Z1255365081 [2,0,0,0,0,0|1,0,1]=4 85 B12R1.4 CC(=O)OC1=CC=C(C=C1)CN Z2216303143 [2,0,0,0,0,0|1,0,1]=4 86 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O Z53833127 [2,0,0,0,0,0|1,0,1]=4 87 B12R1.4 COC1=CC=C(C=C1)OC(=O)C Z30195429 [2,0,0,0,0,0|2,0,0]=4 88 B12R1.4 O=CC1=CC=C(C=C1)CC(=O)O Z1198269767 [2,0,0,0,0,0|2,0,0]=4 89 B12R1.114 CCOC1=C(C=C(C=C1)C=O)F Z335440274 [2,0,0,0,0,0|1,0,1]=4 90 B12R1.114 CCOC1=C(C=C(C=C1)C=O)O Z1198155327 [2,0,0,0,0,0|0,0,1]=3 91 B12R1.78 C#CC1=CC(=C(C=C1)OC)OC Z1080385494 [2,0,0,0,0,0|1,0,1]=4 92 B12R1.78 CCC1=C(C=CC(=C1)C=O)OC Z1201623458 [2,0,0,0,0,0|1,0,0]=3 93 B12R1.78 CCC1=CC(=C(C=C1)C=O)OC Z1511784907 [2,0,0,0,0,0|1,0,1]=4 94 B12R1.78 CNC1=CC(=C(C=C1)OC)OC Z1259341013 [2,0,0,0,0,0|2,0,0]=4 95 B12R1.78 COC1=C(C=C(C=C1)C#N)OC Z54604503 [2,0,0,0,0,0|1,0,1]=4 96 B12R1.78 COC1=C(C=C(C=C1)C=O)C#N Z1255390259 [2,0,0,0,0,0|2,0,0]=4 97 B12R1.78 COC1=C(C=C(C=C1)C=O)CCl Z275197002 [2,0,0,0,0,0|2,0,0]=4 98 B12R1.78 COC1=C(C=C(C=C1)C=O)OC Z53837671 [2,0,0,0,0,0|0,0,0]=2 99 B12R1.78 COC1=C(C=C(C=C1)C=O)SC Z1172375520 [2,0,0,0,0,0|0,1,0]=3 100 B12R1.78 COC1=C(C=C(C=C1)CO)OC Z104477212 [2,0,0,0,0,0|0,0,2]=4 101 B12R1.78 COC1=C(C=CC(=C1)C#N)C=O Z1198174338 [2,0,0,0,0,0|1,0,1]=4 102 B12R1.78 COC1=C(C=CC(=C1)C=O)C#N Z1255463475 [2,0,0,0,0,0|1,0,1]=4 103 B12R1.78 COC1=C(C=CC(=C1)C=O)SC Z906125142 [2,0,0,0,0,0|0,1,0]=3 104 B12R1.78 COC1=C(C=CC(=C1)SC)C=O Z1255405607 [2,0,0,0,0,0|2,0,0]=4 105 B12R1.78 COC1=C(N=C(C=C1)C=O)OC Z1201625960 [2,0,0,0,0,0|1,0,0]=3 106 B12R1.78 COC1=C(N=CC(=C1)C=O)OC Z1201625962 [2,0,0,0,0,0|1,0,0]=3 107 B12R1.78 COC1=CC(=C(C=C1)C=O)OC Z57772445 [2,0,0,0,0,0|2,0,0]=4 108 B14R1.2295 COC1=C(C=C(C(=C1)F)F)NC(=O)C Z2174883875 [1,1,0,0,0,0|2,0,0]=4 109 B14R1.3417 CCC(=O)NC1=C(C=C(C=C1)F)OC Z343520006 [1,1,0,0,0,0|2,0,0]=4 110 B14R1.124 CC(=O)NC1=C(C=C(C=C1)C(=O)C)O Z132908950 [1,1,0,0,0,0|1,0,0]=3 111 B14R1.124 CC(=O)NC1=C(C=C(C=C1)C(=O)O)C Z224251106 [1,1,0,0,0,0|1,0,0]=3 112 B14R1.124 CC(=O)NC1=C(C=C(C=C1)C(=O)O)F Z1097094275 [1,1,0,0,0,0|2,0,0]=4 113 B14R1.1355 C=CCOC1=C(C=C(C=C1)C=O)OC Z54337235 [1,1,0,0,0,0|0,0,1]=3 114 B14R1.1355 CCCOC1=C(C=C(C=C1)C=O)OC Z53833580 [1,1,0,0,0,0|0,0,1]=3 115 B14R1.1355 COC1=C(C=CC(=C1)C=O)OCC#N Z53791657 [1,1,0,0,0,0|0,0,2]=4 116 B14R1.1355 COC1=C(C=CC(=C1)C=O)OCCO Z295453126 [1,1,0,0,0,0|0,0,1]=3 117 B14R1.5236 CCOC1=C(C=C(C=C1)C=O)OCC Z53836956 [1,1,0,0,0,0|0,0,1]=3 118 B14R1.6723 CCOC1=C(C=C(C=C1)C(=O)N)OC Z33545847 [1,1,0,0,0,0|0,0,1]=3 119 B14R1.6723 CCOC1=C(C=C(C=C1)C(=O)O)OC Z56985772 [1,1,0,0,0,0|0,0,1]=3 120 B14R1.6723 CCOC1=C(C=C(C=C1)C(=S)N)OC Z56942051 [1,1,0,0,0,0|0,1,1]=4 121 B14R1.6723 COCC1=C(C=C(C=C1)C(=O)O)OC Z1262555915 [1,1,0,0,0,0|2,0,0]=4 122 B14R1.6788 CCOC1=C(C=C(C=C1)/C=N/O)OC Z49568504 [1,1,0,0,0,0|0,0,2]=4 123 B14R1.14885 CCOC1=C(C=C(C=C1Br)C=O)OC Z56886599 [1,1,0,0,0,0|0,0,1]=3 124 B14R1.14885 CCOC1=C(C=C(C=C1Cl)C=O)OC Z55929000 [1,1,0,0,0,0|0,0,1]=3 125 B14R1.15070 CCOC1=C(C=C(C(=C1)Br)C=O)OC Z57313840 [1,1,0,0,0,0|0,0,1]=3 126 B14R1.15070 CCOC1=C(C=C(C(=C1)Cl)C=O)OC Z57480604 [1,1,0,0,0,0|0,0,1]=3 127 B14R1.43 COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] Z118458740 [0,1,0,0,1,0|2,0,0]=4 128 B14R1.43 COC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)C Z1255435837 [0,1,0,0,1,0|1,0,0]=3 129 B14R1.43 COC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O Z1188342997 [0,1,0,0,1,0|2,0,0]=4 130 B14R1.105 COC1=C(C=CC(=C1)C=O)S(=O)(=O)C Z1681342249 [0,1,0,0,1,0|1,0,0]=3 131 B14R1.577 COC1=CC(=C(C(=C1)O)C(=O)C)OC Z1255434817 [0,1,0,0,1,0|2,0,0]=4 132 B14R1.2293 COC1=CC(=C(C=C1C(=O)C)Cl)OC Z56921109 [0,1,0,0,1,0|2,0,0]=4 133 B14R1.2320 COC1=C(C=CC(=C1O)C=O)[N+](=O)[O-] Z2379766654 [0,1,0,0,1,0|2,0,0]=4 134 B16R1.9044 CCOC1=C(C=CC(=C1)C=O)OCC(=O)N Z18488655 [0,1,0,0,0,1|1,0,0]=3 135 B16R1.9044 CCOC1=C(C=CC(=C1)C=O)OCC(=O)O Z57313802 [0,1,0,0,0,1|1,0,0]=3 136 B16R1.9044 CCOC1=C(C=CC(=C1)C=O)OCC(C)C Z53836978 [0,1,0,0,0,1|1,0,1]=4 137 B16R1.13466 C/C=C/C1=CC(=C(C=C1)OCC(=O)N)OC Z25122855 [0,1,0,0,0,1|2,0,0]=4 138 B16R1.13466 C/C=C/C1=CC(=C(C=C1)OCC(=O)O)OC Z56924436 [0,1,0,0,0,1|2,0,0]=4 139 B16R1.13466 C=CCC1=CC(=C(C=C1)OCC(=O)N)OC Z26290767 [0,1,0,0,0,1|2,0,0]=4 140 B16R1.13466 C=CCC1=CC(=C(C=C1)OCC(=O)O)OC Z57008937 [0,1,0,0,0,1|2,0,0]=4 141 B16R1.14579 COC1=C(C(=CC(=C1)C=O)Br)OCC(=O)O Z57349077 [0,1,0,0,0,1|1,0,0]=3 142 B16R1.14579 COC1=C(C(=CC(=C1)C=O)Br)OCC(C)C Z57887921 [0,1,0,0,0,1|1,0,1]=4 143 B16R1.14579 COC1=C(C(=CC(=C1)C=O)Cl)OCC(=O)N Z57888004 [0,1,0,0,0,1|1,0,0]=3 144 B16R1.14579 COC1=C(C(=CC(=C1)C=O)Cl)OCC(=O)O Z57349074 [0,1,0,0,0,1|1,0,0]=3 145 B16R1.18494 C=C(C)COC1=C(C=C(C=C1)[N+](=O)[O-])OC Z995444102 [0,1,0,0,0,1|2,0,0]=4 146 B16R1.18494 COC1=C(C=CC(=C1)C(=O)C)OCC(=O)O Z56921446 [0,1,0,0,0,1|1,0,0]=3 147 B16R1.18494 COC1=C(C=CC(=C1)C(=O)C)SCC(=O)O Z927373434 [0,1,0,0,0,1|1,1,0]=4 148 B16R1.18494 COC1=C(C=CC(=C1)C(=O)N)OCC(C)C Z33546691 [0,1,0,0,0,1|1,0,1]=4 149 B16R1.18494 COC1=C(C=CC(=C1)C(=O)O)OCC(=O)N Z57393831 [0,1,0,0,0,1|1,0,0]=3 150 B16R1.18494 COC1=C(C=CC(=C1)C(=O)O)OCC(=O)O Z858479750 [0,1,0,0,0,1|1,0,0]=3 151 B16R1.18494 COC1=C(C=CC(=C1)C(=O)O)OCC(C)C Z56862704 [0,1,0,0,0,1|1,0,1]=4 152 B16R1.20052 COC1=C(C=C(C(=C1)C=O)Br)OCC(=O)N Z898562976 [0,1,0,0,0,1|1,0,0]=3 153 B16R1.20052 COC1=C(C=C(C(=C1)C=O)Cl)OCC(=O)N Z2050110970 [0,1,0,0,0,1|1,0,0]=3 154 B16R1.20052 COC1=C(C=C(C(=C1)C=O)Cl)OCC(=O)O Z2044806227 [0,1,0,0,0,1|1,0,0]=3 155 B16R1.20196 COC1=C(C=CC(=C1)C=O)OC(C)C(=O)O Z111577214 [0,1,0,0,0,1|1,0,0]=3 156 B16R1.20197 CNC(=O)COC1=C(C=C(C=C1)C#N)OC Z16862689 [0,1,0,0,0,1|1,0,1]=4 157 B16R1.20197 CNC(=O)COC1=C(C=C(C=C1)C=O)OC Z19660356 [0,1,0,0,0,1|0,0,0]=2 158 B16R1.20197 COC(=O)COC1=C(C=C(C=C1)C#N)OC Z55038351 [0,1,0,0,0,1|1,0,1]=4 159 B16R1.20197 COC(=O)COC1=C(C=C(C=C1)C=O)OC Z17334277 [0,1,0,0,0,1|0,0,0]=2 160 B16R1.28 COC1=C(C=CC(=C1)C(=O)C)OS(=O)(=O)F Z3919192883 [0,2,0,0,0,0|2,0,0]=4 161 B16R1.438 COC1=C(C(=CC(=C1)C(=O)O)Cl)OC(C)C Z56989640 [0,2,0,0,0,0|1,0,1]=4 162 B16R1.4711 CNC(=O)C1=CC(=C(C=C1)NC(=O)C)OC Z2718021496 [0,2,0,0,0,0|1,0,0]=3 163 B16R1.4711 COC1=C(C=CC(=C1)C(=O)NN)OC(C)C Z55928985 [0,2,0,0,0,0|1,0,1]=4 164 B16R1.4711 CSC1=C(C=CC(=C1)C(=O)CCl)NC(=O)C Z444840204 [0,2,0,0,0,0|1,1,0]=4 165 B16R1.18493 CCC(=O)NC1=C(C=C(C=C1)C(=O)O)OC Z2295904413 [0,2,0,0,0,0|1,0,0]=3 166 B16R1.18493 CCC(C)OC1=C(C=C(C=C1)C(=O)C)OC Z336342456 [0,2,0,0,0,0|1,0,1]=4 167 B16R1.18493 COC(=O)NC1=C(C=C(C=C1)C(=O)O)OC Z2751146602 [0,2,0,0,0,0|1,0,0]=3 168 B16R1.18493 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCl Z56896265 [0,2,0,0,0,0|2,0,0]=4 169 B16R1.4050 CCOC1=C(C(=CC(=C1)C=O)Br)OC(C)C Z57887848 [0,2,0,0,0,0|1,0,1]=4 170 B16R1.14642 COC1=CC(=CC(=C1OC(=O)C)OC)C=O Z57887900 [0,2,0,0,0,0|0,0,0]=2 171 B16R1.49282 CCOC1=C(C=C(C(=C1)C=O)Br)OC(=O)C Z1263738102 [0,2,0,0,0,0|0,0,0]=2 172 B16R1.49282 CCOC1=C(C=C(C(=C1)C=O)Br)OC(C)C Z2044776924 [0,2,0,0,0,0|1,0,1]=4 173 B16R1.49282 CCOC1=C(C=C(C(=C1)C=O)Cl)OC(C)C Z2044782752 [0,2,0,0,0,0|1,0,1]=4 174 B14R2.7974 O=C1CCOC2=C(C1)C=CC(=C2)Br Z2471604345 [1,0,0,1,0,0|2,0,0]=4 175 B14R2.8235 CC1CC(=O)OC2=C1C=C(C=C2)O Z1513898194 [1,0,0,1,0,0|1,0,1]=4 176 B14R2.2332 O=CC1=CC2=C(C=C1)NC(=O)CO2 Z1255380142 [1,0,0,1,0,0|1,0,0]=3 177 B14R2.3303 CC1(CC2=C(O1)C=CC(=C2)C=O)C Z274787908 [1,0,0,1,0,0|1,0,1]=4 178 B14R2.3303 CC1(OC2=C(O1)C=C(C=C2)C=O)C Z1486025481 [1,0,0,1,0,0|1,0,1]=4 179 B14R2.1101 COC1=C2NC=NC2=CC(=C1)C=O Z2311270846 [1,0,0,1,0,0|2,0,0]=4 180 B14R2.1101 COC1=C2OCOC2=CC(=C1)C=O Z57032589 [1,0,0,1,0,0|0,0,2]=4 181 B14R2.2400 O=CC1=CC2=C(C=C1)OCCCO2 Z275118816 [1,0,0,1,0,0|0,0,1]=3 182 B14R2.3274 CC1=[N+](C2=C(S1)C=CC(=C2)C=O)C Z56756336 [1,0,0,1,0,0|1,1,0]=4 183 B14R2.3274 CC1OC2=C(C1C)C=C(C=C2)C=O Z3038222132 [1,0,0,1,0,0|1,0,1]=4 184 B14R2.3274 CN1C(=O)CC2=C1C=C(C=C2)C=O Z2732527643 [1,0,0,1,0,0|2,0,0]=4 185 B14R2.3274 CN1C(=O)OC2=C1C=C(C=C2)C=O Z1251353184 [1,0,0,1,0,0|1,0,0]=3 186 B14R2.3367 CC1(COC2=C1C=CC(=C2)C=O)C Z1725910955 [0,0,0,1,1,0|1,0,1]=4 187 B16R2.502 CC(=O)N1CCC2=C1C=CC(=C2)C(=O)O Z164671918 [0,1,0,1,0,0|2,0,0]=4 188 B16R2.14356 O=C1CCNC2=C(N1)C=CC(=C2)C(=O)O Z3236261945 [0,1,0,1,0,0|2,0,0]=4 189 B16R2.26112 CN1CC(=O)NC2=C1C=C(C=C2)C(=O)O Z1543462682 [0,1,0,1,0,0|2,0,0]=4 190 B16R2.39997 COC1=C2NC(=O)NC2=CC(=C1)C(=O)O Z1551943865 [0,1,0,1,0,0|2,0,0]=4 191 B16R2.39997 COC1=C2OC(CC2=CC(=C1)C(=O)O)C Z166624042 [0,1,0,1,0,0|1,0,1]=4 192 B12R1.57 COC1=C(C=CC(=C1)Br)C(=O)N Z964990652 [1,0,0,0,1,0|2,0,0]=4 193 B12R1.57 COC1=C(C=CC(=C1)Br)C(=O)O Z405053816 [1,0,0,0,1,0|2,0,0]=4 194 B12R1.57 COC1=C(C=CC(=C1)C)C(=O)O Z118458672 [1,0,0,0,1,0|1,0,1]=4 195 B12R1.57 COC1=C(C=CC(=C1)Cl)C(=O)C Z871801794 [1,0,0,0,1,0|1,0,0]=3 196 B12R1.57 COC1=C(C=CC(=C1)Cl)C(=O)O Z118458694 [1,0,0,0,1,0|2,0,0]=4 197 B12R1.57 COC1=C(C=CC(=C1)F)C(=O)C Z330830584 [1,0,0,0,1,0|1,0,0]=3 198 B12R1.57 COC1=C(C=CC(=C1)I)C(=O)O Z1269240360 [1,0,0,0,1,0|2,0,0]=4 199 B12R1.57 COC1=C(C=CC(=C1)N)C(=O)C Z1255387837 [1,0,0,0,1,0|1,0,0]=3 200 B12R1.57 COC1=C(C=CC(=C1)N)C(=O)O Z1188346095 [1,0,0,0,1,0|2,0,0]=4 201 B12R1.57 COC1=CC(=O)NC=C1C(=O)O Z2940715271 [1,0,0,0,1,0|2,0,0]=4 202 B12R1.452 CC1=C(C=CC(=C1)C=O)C(=O)O Z1262529112 [1,0,0,0,1,0|1,0,0]=3 203 B12R1.452 CC1=C(C=CC(=C1)C=O)[N+](=O)[O-] Z1255420040 [1,0,0,0,1,0|2,0,0]=4 204 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C Z285137066 [1,0,0,0,1,0|2,0,0]=4 205 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)O Z57101020 [1,0,0,0,1,0|2,0,0]=4 206 B12R1.452 O=CC1=CC(=C(C=C1)C(=O)O)Cl Z1198314264 [1,0,0,0,1,0|2,0,0]=4 207 B12R1.452 O=CC1=CC(=C(C=C1)C(=O)O)F Z1198342985 [1,0,0,0,1,0|2,0,0]=4 208 B12R1.452 O=CC1=CC(=C(C=C1)C(=O)O)O Z1255375223 [1,0,0,0,1,0|1,0,0]=3 209 B12R1.452 O=CC1=CC(=C(C=C1)[N+](=O)[O-])O Z959278078 [1,0,0,0,1,0|2,0,0]=4 210 B14R1.1600 COC1=C(C=CC(=C1)C)OCC(=O)O Z56917414 [1,0,0,0,0,1|1,0,1]=4 211 B14R1.103 O=CC1=CC(=C(C=C1)OCC(=O)O)Br Z57349048 [1,0,0,0,0,1|2,0,0]=4 212 B14R1.103 O=CC1=CC(=C(C=C1)OCC(=O)O)Cl Z57184333 [1,0,0,0,0,1|2,0,0]=4 213 B16R1.1772 C=C(C)CCOC1=C(C=C(C=C1)C=O)OC Z56860235 [0,0,0,0,0,2|1,0,0]=3 214 B16R1.1772 COC1=C(C=CC(=C1)C=O)OCCC(=O)O Z1179895885 [0,0,0,0,0,2|1,0,0]=3 215 B16R1.1772 COC1=C(C=CC(=C1)C=O)OCCC(C)C Z56824199 [0,0,0,0,0,2|1,0,1]=4