0 B12R1.252 CC(=O)CCCC1=CN=CC=C1 Z1255405032 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 CC(=O)CSCC1=NC=CC=N1 Z1838380902 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.252 CC(=O)NCCC1=CC=CC=C1 Z27761567 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.252 CC(=O)NCCC1=CC=NC=C1 Z1198165525 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.252 CC(=O)NCCC1=NC=CC=C1 Z32445986 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.252 CC(=O)NCCC1=NC=CN=C1 Z1509178080 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.252 CC(=O)NNCC1=CC=CC=C1 Z1726022904 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.252 CC(N)CCCC1=CN=CC=C1 Z1255362761 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.252 CC(N)COCC1=CC=CC=C1 Z271012730 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.252 CC(O)CCCC1=CN=CC=C1 Z1322050465 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.252 CC(O)CNCC1=CC=CC=C1 Z57326978 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.252 CN(C)CCCC1=CC=CC=C1 Z204698992 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.252 CN(C)CCNC1=CC=CC=C1 Z335250304 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.252 FC(F)CNCC1=CC=CC=C1 Z608352166 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.252 N=C(N)COCC1=CC=CC=C1 Z2574925846 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.252 N=C(N)CSCC1=CC=CC=C1 Z1795818268 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.252 N=C(N)NCCC1=NC=CC=C1 Z1089995406 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.252 NC(=O)CCOC1=CC=CC=C1 Z33545291 [0,0,0,0,0,0|2,0,0]=2 19 B12R1.252 NC(=O)CCSC1=CC=CC=C1 Z33547211 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.252 NC(=O)CCSC1=NC=CC=N1 Z102922430 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [0,0,0,0,0,0|2,0,0]=2 22 B12R1.252 NC(=O)CNCC1=CN=CC=C1 Z1695669950 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [0,0,0,0,0,0|2,0,0]=2 24 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [0,0,0,0,0,0|2,0,0]=2 25 B12R1.252 NC(=O)NCCC1=CN=CC=C1 Z432778234 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.252 NC(=O)NCCC1=NC=CC=C1 Z198194814 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.252 NC(=O)NOCC1=CC=CC=C1 Z56787772 [0,0,0,0,0,0|3,0,0]=3 28 B12R1.252 NC(=S)NCCC1=CC=CC=C1 Z56933803 [0,0,0,0,0,0|2,1,0]=3 29 B12R1.252 O=C(O)/C=C/SC1=CC=CC=C1 Z104378002 [0,0,0,0,0,0|1,0,2]=3 30 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 Z976639296 [0,0,0,0,0,0|0,0,2]=2 31 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [0,0,0,0,0,0|0,0,0]=0 32 B12R1.252 O=C(O)CCCC1=CC=NC=C1 Z2106608658 [0,0,0,0,0,0|1,0,0]=1 33 B12R1.252 O=C(O)CCCC1=NC=CC=C1 Z1259273117 [0,0,0,0,0,0|1,0,0]=1 34 B12R1.252 O=C(O)CCCC1=NC=CN=C1 Z1262554933 [0,0,0,0,0,0|2,0,0]=2 35 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [0,0,0,0,0,0|1,0,0]=1 36 B12R1.252 O=C(O)CCNC1=NC=CC=C1 Z285820166 [0,0,0,0,0,0|2,0,0]=2 37 B12R1.252 O=C(O)CCNC1=NC=CC=N1 Z246310120 [0,0,0,0,0,0|3,0,0]=3 38 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [0,0,0,0,0,0|1,0,0]=1 39 B12R1.252 O=C(O)CCOC1=CN=CC=C1 Z336080826 [0,0,0,0,0,0|2,0,0]=2 40 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [0,0,0,0,0,0|1,0,0]=1 41 B12R1.252 O=C(O)CCSC1=NC=CC=C1 Z102927312 [0,0,0,0,0,0|2,0,0]=2 42 B12R1.252 O=C(O)CCSC1=NC=CC=N1 Z102922408 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.252 O=C(O)CNCC1=CN=CC=C1 Z372854000 [0,0,0,0,0,0|2,0,0]=2 44 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z1259041052 [0,0,0,0,0,0|2,0,0]=2 45 B12R1.252 O=C(O)COCC1=CC=NC=C1 Z1262561205 [0,0,0,0,0,0|2,0,0]=2 46 B12R1.252 O=C(O)COCC1=CN=CC=C1 Z1262555665 [0,0,0,0,0,0|2,0,0]=2 47 B12R1.252 O=C(O)COCC1=NC=CC=C1 Z1262528420 [0,0,0,0,0,0|2,0,0]=2 48 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [0,0,0,0,0,0|1,0,0]=1 49 B12R1.252 O=C(O)CSCC1=CC=NC=C1 Z228589362 [0,0,0,0,0,0|2,0,0]=2 50 B12R1.252 O=C(O)CSCC1=CN=CC=C1 Z228589228 [0,0,0,0,0,0|2,0,0]=2 51 B12R1.252 O=C(O)CSCC1=NC=CC=C1 Z228589018 [0,0,0,0,0,0|2,0,0]=2 52 B11R1.28 BrCCCOC1=CC=CC=C1 Z90122132 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.28 C#CCCOC1=CC=CC=C1 Z1143222703 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.28 C#CCNCC1=CC=CC=C1 Z2082999436 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.28 C=CCNCC1=CC=CC=C1 Z86135577 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [1,0,0,0,0,0|1,0,1]=3 57 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [1,0,0,0,0,0|2,0,1]=4 58 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [1,0,0,0,0,0|2,0,1]=4 59 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [1,0,0,0,0,0|2,0,1]=4 60 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.28 CNCCOC1=CC=CC=C1 Z56945505 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.28 COCCNC1=CC=CC=C1 Z266463556 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.28 ClCCCOC1=CC=CC=C1 Z275020186 [1,0,0,0,0,0|2,0,1]=4 64 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [1,0,0,0,0,0|2,0,1]=4 65 B11R1.28 N#CCCNC1=CC=CC=C1 Z56915949 [1,0,0,0,0,0|2,0,1]=4 66 B11R1.28 N#CCCOC1=CC=CC=C1 Z54337114 [1,0,0,0,0,0|2,0,1]=4 67 B11R1.28 N#CCNCC1=CC=CC=C1 Z266079624 [1,0,0,0,0,0|2,0,1]=4 68 B11R1.28 N#CCOCC1=CC=CC=C1 Z295205356 [1,0,0,0,0,0|2,0,1]=4 69 B11R1.28 N#CCSCC1=CC=CC=C1 Z54337756 [1,0,0,0,0,0|2,0,1]=4 70 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [1,0,0,0,0,0|1,0,1]=3 71 B11R1.28 NCCCCC1=CC=NC=C1 Z3234944907 [1,0,0,0,0,0|2,0,1]=4 72 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [1,0,0,0,0,0|2,0,1]=4 73 B11R1.28 NCCCOC1=CC=CC=C1 Z234895129 [1,0,0,0,0,0|2,0,1]=4 74 B11R1.28 NCCCSC1=CC=CC=C1 Z262222134 [1,0,0,0,0,0|2,0,1]=4 75 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [1,0,0,0,0,0|2,0,1]=4 76 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [1,0,0,0,0,0|0,0,0]=1 77 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [1,0,0,0,0,0|1,0,0]=2 78 B11R1.28 O=CCSCC1=CC=CC=C1 Z854102762 [1,0,0,0,0,0|1,0,0]=2 79 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [1,0,0,0,0,0|1,0,1]=3 80 B11R1.28 OCCCNC1=CC=NC=C1 Z359301948 [1,0,0,0,0,0|2,0,1]=4 81 B11R1.28 OCCCNC1=NC=CC=C1 Z31220937 [1,0,0,0,0,0|2,0,1]=4 82 B11R1.28 OCCCSC1=CC=CC=C1 Z104650330 [1,0,0,0,0,0|1,0,1]=3 83 B11R1.28 OCCNCC1=CN=CC=C1 Z90504502 [1,0,0,0,0,0|2,0,1]=4 84 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [1,0,0,0,0,0|1,0,1]=3 85 B11R1.28 S=C=NCCC1=CC=CC=C1 Z56924472 [1,0,0,0,0,0|1,1,1]=4 86 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 Z255306774 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 Z1198150373 [0,1,0,0,0,0|0,0,0]=1 88 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 Z56755627 [0,1,0,0,0,0|3,0,0]=4 89 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 Z1259273310 [0,1,0,0,0,0|1,0,0]=2 90 B13R1.45 CN(CCC(=O)O)C1=CC=NC=C1 Z1762658191 [0,1,0,0,0,0|2,0,0]=3 91 B13R1.45 C[C@@H](NCC(=O)N)C1=CC=CC=C1 Z1165167250 [0,1,0,0,0,0|2,0,0]=3 92 B13R1.45 NC(=O)COC(=O)C1=CC=CC=C1 Z19825583 [0,1,0,0,0,0|2,0,1]=4 93 B13R1.45 NC(=O)NCC(O)C1=CC=CC=C1 Z198194916 [0,1,0,0,0,0|2,0,0]=3 94 B13R1.45 NC(=O)OCC(O)C1=CC=CC=C1 Z1198155491 [0,1,0,0,0,0|2,0,0]=3 95 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 Z2213893322 [0,1,0,0,0,0|0,0,0]=1 96 B13R1.45 O=C(O)/C=C/C(=O)C1=CC=CC=C1 Z2895088074 [0,1,0,0,0,0|0,0,3]=4 97 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 Z57127328 [0,1,0,0,0,0|0,0,1]=2 98 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 Z1255488500 [0,1,0,0,0,0|1,0,1]=3 99 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 Z838955798 [0,1,0,0,0,0|1,0,1]=3 100 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 Z56771024 [0,1,0,0,0,0|1,0,1]=3 101 B13R1.45 O=C(O)CNC(=O)C1=CC=NC=C1 Z239129814 [0,1,0,0,0,0|2,0,1]=4 102 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 Z239129822 [0,1,0,0,0,0|2,0,1]=4 103 B13R1.45 O=C(O)CNC(=O)C1=NC=CC=C1 Z228588744 [0,1,0,0,0,0|2,0,1]=4 104 B13R1.149 C=C(C)CNCC1=CC(=CC=C1)O Z1741933704 [0,1,0,0,0,0|3,0,0]=4 105 B13R1.149 CC(=O)NCCC1=CC(=CC=C1)Br Z2286728666 [0,1,0,0,0,0|2,0,0]=3 106 B13R1.149 CC(=O)NCCC1=CC(=CC=C1)Cl Z52318908 [0,1,0,0,0,0|2,0,0]=3 107 B13R1.149 CC(=O)OCCC1=CC(=CC=C1)N Z1262633949 [0,1,0,0,0,0|2,0,0]=3 108 B13R1.149 CC1=CC(=CC=C1)CNCC(=O)O Z1270446344 [0,1,0,0,0,0|1,0,0]=2 109 B13R1.149 CC1=CC(=CC=C1)COCC(=O)O Z1251362362 [0,1,0,0,0,0|1,0,0]=2 110 B13R1.149 CC1=CC(=CC=C1)CSCC(=O)O Z19692175 [0,1,0,0,0,0|1,0,0]=2 111 B13R1.149 CC1=CC(=CC=C1)NCCC(=O)N Z382711330 [0,1,0,0,0,0|2,0,0]=3 112 B13R1.149 CC1=CC(=CC=C1)OCCC(=O)N Z33545285 [0,1,0,0,0,0|2,0,0]=3 113 B13R1.149 CC1=CC(=CC=C1)OCCC(=O)O Z56805757 [0,1,0,0,0,0|1,0,0]=2 114 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)Br Z33547023 [0,1,0,0,0,0|2,0,0]=3 115 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)F Z291821318 [0,1,0,0,0,0|2,0,0]=3 116 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)N Z382711144 [0,1,0,0,0,0|2,0,0]=3 117 B13R1.149 NC(=O)CCSC1=CC(=CC=C1)Cl Z994468306 [0,1,0,0,0,0|2,0,0]=3 118 B13R1.149 NC(=O)CSCC1=CC(=CC=C1)Br Z17129088 [0,1,0,0,0,0|2,0,0]=3 119 B13R1.149 NC(=O)CSCC1=CC(=CC=C1)N Z1813147313 [0,1,0,0,0,0|2,0,0]=3 120 B13R1.149 NC(=O)NCCC1=CC(=CC=C1)Cl Z198195798 [0,1,0,0,0,0|2,0,0]=3 121 B13R1.149 O=C(O)C/C=C/C1=CC(=CC=C1)F Z1350606434 [0,1,0,0,0,0|0,0,2]=3 122 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Br Z1097106911 [0,1,0,0,0,0|0,0,0]=1 123 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Cl Z1198171600 [0,1,0,0,0,0|0,0,0]=1 124 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)Br Z56893184 [0,1,0,0,0,0|1,0,0]=2 125 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)Cl Z240085186 [0,1,0,0,0,0|1,0,0]=2 126 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)F Z240085194 [0,1,0,0,0,0|1,0,0]=2 127 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)I Z381428310 [0,1,0,0,0,0|1,0,0]=2 128 B13R1.149 O=C(O)CCSC1=CC(=CC=C1)Cl Z994465870 [0,1,0,0,0,0|1,0,0]=2 129 B13R1.149 O=C(O)CNCC1=CC(=CC=C1)Br Z239092040 [0,1,0,0,0,0|1,0,0]=2 130 B13R1.149 O=C(O)CNCC1=CC(=CC=C1)F Z763367852 [0,1,0,0,0,0|1,0,0]=2 131 B13R1.149 O=C(O)COCC1=CC(=CC=C1)Cl Z1258763876 [0,1,0,0,0,0|1,0,0]=2 132 B13R1.149 O=C(O)COCC1=CC(=O)NC=C1 Z2680630303 [0,1,0,0,0,0|2,0,0]=3 133 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Br Z19692009 [0,1,0,0,0,0|1,0,0]=2 134 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Cl Z19691783 [0,1,0,0,0,0|1,0,0]=2 135 B13R1.149 O=C(O)CSCC1=CC(=CN=C1)F Z4359812984 [0,1,0,0,0,0|2,0,0]=3 136 B13R1.158 CC(=O)NCCC1=C(C=CC=C1)C Z52314092 [0,1,0,0,0,0|2,0,0]=3 137 B13R1.158 CC1=C(C=CC=C1)CNCC(=O)O Z763366336 [0,1,0,0,0,0|1,0,0]=2 138 B13R1.158 CC1=C(C=CC=C1)COCC(=O)O Z1251362361 [0,1,0,0,0,0|1,0,0]=2 139 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)N Z68591167 [0,1,0,0,0,0|2,0,0]=3 140 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)O Z56922066 [0,1,0,0,0,0|1,0,0]=2 141 B13R1.158 CC1=C(C=CC=C1)OCCC(=O)O Z56805748 [0,1,0,0,0,0|1,0,0]=2 142 B13R1.158 N=C(N)NCCC1=C(C=CC=C1)F Z3034036268 [0,1,0,0,0,0|3,0,0]=4 143 B13R1.158 NC(=O)CCNC1=C(C=CC=C1)Cl Z154209976 [0,1,0,0,0,0|2,0,0]=3 144 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)F Z33546164 [0,1,0,0,0,0|2,0,0]=3 145 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)N Z382711142 [0,1,0,0,0,0|2,0,0]=3 146 B13R1.158 NC(=O)CCSC1=C(C=CC=C1)F Z103229740 [0,1,0,0,0,0|2,0,0]=3 147 B13R1.158 NC(=O)CCSC1=C(C=CC=C1)N Z382712128 [0,1,0,0,0,0|2,0,0]=3 148 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O Z1982493918 [0,1,0,0,0,0|0,0,0]=1 149 B13R1.158 O=C(O)C/C=C/C1=C(C=CC=C1)F Z1354602491 [0,1,0,0,0,0|0,0,2]=3 150 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Br Z1097106913 [0,1,0,0,0,0|0,0,0]=1 151 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Cl Z1209411177 [0,1,0,0,0,0|0,0,0]=1 152 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)F Z1198171601 [0,1,0,0,0,0|0,0,0]=1 153 B13R1.158 O=C(O)CCCN1C=CC=CC1=O Z285049636 [0,1,0,0,0,0|1,0,0]=2 154 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Br Z295439184 [0,1,0,0,0,0|1,0,0]=2 155 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Cl Z206905212 [0,1,0,0,0,0|1,0,0]=2 156 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)F Z56922157 [0,1,0,0,0,0|1,0,0]=2 157 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)O Z1262518325 [0,1,0,0,0,0|1,0,0]=2 158 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Br Z293002250 [0,1,0,0,0,0|1,0,0]=2 159 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Cl Z56813499 [0,1,0,0,0,0|1,0,0]=2 160 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)F Z103229718 [0,1,0,0,0,0|1,0,0]=2 161 B13R1.158 O=C(O)COCC1=C(C=CC=C1)Cl Z316259048 [0,1,0,0,0,0|1,0,0]=2 162 B13R1.158 O=C(O)CSCC1=C(C=CC=C1)Cl Z19691784 [0,1,0,0,0,0|1,0,0]=2 163 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 Z1198148922 [0,1,0,0,0,0|1,0,1]=3 164 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 Z56968279 [0,1,0,0,0,0|2,0,1]=4 165 B13R1.348 CC(C)CC(N)CC1=CC=CC=C1 Z3214214500 [0,1,0,0,0,0|2,0,1]=4 166 B13R1.348 CN(C)CC(N)CC1=CC=CC=C1 Z335289212 [0,1,0,0,0,0|3,0,0]=4 167 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 Z1259040954 [0,1,0,0,0,0|1,0,0]=2 168 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [0,1,0,0,0,0|0,0,0]=1 169 B13R1.348 O=C(CC1=CC=CC=C1)C[N+](=O)[O-] Z57032633 [0,1,0,0,0,0|1,0,2]=4 170 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [0,1,0,0,0,0|0,0,0]=1 171 B13R1.351 C=C(COC1=CC=CC=C1)C(=O)O Z1197868054 [0,1,0,0,0,0|1,0,1]=3 172 B13R1.351 CC(/C=C/C1=CC=CC=C1)C(=O)O Z3241898772 [0,1,0,0,0,0|0,0,2]=3 173 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 Z906195336 [0,1,0,0,0,0|2,0,0]=3 174 B13R1.351 CC(C)C(O)CCC1=CC=CC=C1 Z513750674 [0,1,0,0,0,0|2,0,1]=4 175 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O Z425469932 [0,1,0,0,0,0|1,0,0]=2 176 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O Z431541708 [0,1,0,0,0,0|1,0,0]=2 177 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O Z426041612 [0,1,0,0,0,0|1,0,0]=2 178 B13R1.351 CC(NCC1=CN=CC=C1)C(=O)O Z440613690 [0,1,0,0,0,0|2,0,0]=3 179 B13R1.351 CC(NCC1=NC=CC=C1)C(=O)O Z1270255478 [0,1,0,0,0,0|2,0,0]=3 180 B13R1.351 CC(O)C(C)OCC1=CC=CC=C1 Z854223056 [0,1,0,0,0,0|2,0,1]=4 181 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)N Z394696218 [0,1,0,0,0,0|2,0,0]=3 182 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O Z316258798 [0,1,0,0,0,0|1,0,0]=2 183 B13R1.351 CC(OCC1=CC=NC=C1)C(=O)O Z2235681270 [0,1,0,0,0,0|2,0,0]=3 184 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Z18753939 [0,1,0,0,0,0|1,0,0]=2 185 B13R1.351 C[C@H](NCC1=NC=CC=C1)C(=O)O Z5717815294 [0,1,0,0,0,0|2,0,0]=3 186 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O Z1255498772 [0,1,0,0,0,0|1,0,0]=2 187 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O Z317025074 [0,1,0,0,0,0|0,0,0]=1 188 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O Z3004510439 [0,1,0,0,0,0|1,0,0]=2 189 B13R1.351 NC(CCC1=NC=CC=C1)C(=O)O Z2310672466 [0,1,0,0,0,0|1,0,0]=2 190 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O Z1255434715 [0,1,0,0,0,0|0,0,0]=1 191 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O Z1255399095 [0,1,0,0,0,0|0,0,0]=1 192 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 Z1201620725 [0,1,0,0,0,0|0,0,1]=2 193 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 Z1259340035 [0,1,0,0,0,0|0,0,0]=1 194 B13R1.513 CC1=CC=C(C=C1)/C=C/CC(=O)O Z1374884612 [0,1,0,0,0,0|0,0,2]=3 195 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O Z336127890 [0,1,0,0,0,0|0,0,0]=1 196 B13R1.513 CC1=CC=C(C=C1)CNCC(=O)O Z359506420 [0,1,0,0,0,0|1,0,0]=2 197 B13R1.513 CC1=CC=C(C=C1)COCC(=O)O Z2630879936 [0,1,0,0,0,0|1,0,0]=2 198 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)N Z33545794 [0,1,0,0,0,0|2,0,0]=3 199 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)O Z19691181 [0,1,0,0,0,0|1,0,0]=2 200 B13R1.513 CC1=CC=C(C=C1)NCCC(=O)O Z56886521 [0,1,0,0,0,0|1,0,0]=2 201 B13R1.513 CC1=CC=C(C=C1)NCCC(=S)N Z362840678 [0,1,0,0,0,0|2,1,0]=4 202 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)N Z33545286 [0,1,0,0,0,0|2,0,0]=3 203 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)O Z56805738 [0,1,0,0,0,0|1,0,0]=2 204 B13R1.513 CC1=CC=C(C=C1)SCCC(=O)O Z56813260 [0,1,0,0,0,0|1,0,0]=2 205 B13R1.513 CC1=CN=C(C=C1)NCCC(=O)O Z295404834 [0,1,0,0,0,0|2,0,0]=3 206 B13R1.513 N=C(N)SCCC1=CC=C(C=C1)Cl Z2237698506 [0,1,0,0,0,0|3,0,0]=4 207 B13R1.513 NC(=O)CCNC1=CC=C(C=C1)F Z155153962 [0,1,0,0,0,0|2,0,0]=3 208 B13R1.513 NC(=O)CCNC1=CC=C(C=C1)N Z1263714152 [0,1,0,0,0,0|2,0,0]=3 209 B13R1.513 NC(=O)CCOC1=CC=C(C=C1)N Z382711140 [0,1,0,0,0,0|2,0,0]=3 210 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)Cl Z33545287 [0,1,0,0,0,0|2,0,0]=3 211 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)F Z33545610 [0,1,0,0,0,0|2,0,0]=3 212 B13R1.513 NC(=O)CNCC1=CC=C(C=C1)Br Z90608485 [0,1,0,0,0,0|2,0,0]=3 213 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)Br Z19854475 [0,1,0,0,0,0|2,0,0]=3 214 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)Cl Z18433099 [0,1,0,0,0,0|2,0,0]=3 215 B13R1.513 NC1=CC=C(C=C1)CCCC(=O)O Z336079594 [0,1,0,0,0,0|0,0,0]=1 216 B13R1.513 NC1=CC=C(C=C1)OCCC(=O)O Z1259335771 [0,1,0,0,0,0|1,0,0]=2 217 B13R1.513 O=C(O)C/C=C/C1=CC=C(C=C1)Br Z2939850891 [0,1,0,0,0,0|0,0,2]=3 218 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br Z336286028 [0,1,0,0,0,0|0,0,0]=1 219 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl Z336286026 [0,1,0,0,0,0|0,0,0]=1 220 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)F Z336285992 [0,1,0,0,0,0|0,0,0]=1 221 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)O Z1201617656 [0,1,0,0,0,0|0,0,0]=1 222 B13R1.513 O=C(O)CCCC1=NN=C(C=C1)Cl Z1416161900 [0,1,0,0,0,0|2,0,0]=3 223 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Br Z240085156 [0,1,0,0,0,0|1,0,0]=2 224 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Cl Z57229608 [0,1,0,0,0,0|1,0,0]=2 225 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)F Z240085178 [0,1,0,0,0,0|1,0,0]=2 226 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Br Z102925164 [0,1,0,0,0,0|1,0,0]=2 227 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl Z56812813 [0,1,0,0,0,0|1,0,0]=2 228 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)F Z90123554 [0,1,0,0,0,0|1,0,0]=2 229 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)Cl Z1259339984 [0,1,0,0,0,0|1,0,0]=2 230 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)F Z818727022 [0,1,0,0,0,0|1,0,0]=2 231 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Br Z19691780 [0,1,0,0,0,0|1,0,0]=2 232 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Cl Z19691775 [0,1,0,0,0,0|1,0,0]=2 233 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)F Z19691787 [0,1,0,0,0,0|1,0,0]=2 234 B13R1.718 C=C(CN)COCC1=CC=CC=C1 Z4754712847 [0,1,0,0,0,0|3,0,0]=4 235 B13R1.718 C=CC(=O)NCCC1=NC=CC=C1 Z440634010 [0,1,0,0,0,0|3,0,0]=4 236 B13R1.718 CC(CO)OCCC1=CC=CC=C1 Z2235681135 [0,1,0,0,0,0|2,0,1]=4 237 B13R1.718 CCC(=O)NCCC1=CC=CC=C1 Z27761616 [0,1,0,0,0,0|2,0,0]=3 238 B13R1.718 CCC(=O)NOCC1=CC=CC=C1 Z225862544 [0,1,0,0,0,0|3,0,0]=4 239 B13R1.718 CCC(O)CNCC1=CC=CC=C1 Z600449726 [0,1,0,0,0,0|2,0,1]=4 240 B13R1.718 CNC(=O)CNCC1=CC=CC=C1 Z2752927061 [0,1,0,0,0,0|2,0,0]=3 241 B13R1.718 COC(=O)CNCC1=CC=CC=C1 Z138464916 [0,1,0,0,0,0|1,0,0]=2 242 B13R1.718 NCC(=O)NCCC1=CC=CC=C1 Z234895191 [0,1,0,0,0,0|2,0,0]=3 243 B13R1.718 NNC(=O)CCCC1=CC=CC=C1 Z361890858 [0,1,0,0,0,0|1,0,0]=2 244 B13R1.718 NNC(=O)CCOC1=CC=CC=C1 Z58982234 [0,1,0,0,0,0|2,0,0]=3 245 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 Z56828395 [0,1,0,0,0,0|2,1,0]=4 246 B13R1.718 O=C(CCCC1=CC=CC=C1)NO Z361890960 [0,1,0,0,0,0|0,0,0]=1 247 B13R1.718 O=C(CCOC1=CC=CC=C1)NO Z59182364 [0,1,0,0,0,0|1,0,0]=2 248 B13R1.718 O=C(CCl)CCCC1=CC=CC=C1 Z1262478900 [0,1,0,0,0,0|1,0,0]=2 249 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 Z56869446 [0,1,0,0,0,0|2,0,0]=3 250 B13R1.718 O=C(CCl)NCCC1=NC=CC=C1 Z299693414 [0,1,0,0,0,0|3,0,0]=4 251 B13R1.718 O=C(CCl)NOCC1=CC=CC=C1 Z147646766 [0,1,0,0,0,0|3,0,0]=4 252 B13R1.3523 NS(=O)(=O)CCCC1=CC=CC=C1 Z820117348 [0,1,0,0,0,0|1,0,1]=3 253 B13R1.3523 NS(=O)(=O)CCOC1=CC=CC=C1 Z839122596 [0,1,0,0,0,0|2,0,1]=4 254 B13R1.3523 NS(=O)(=O)CCSC1=CC=CC=C1 Z1251373183 [0,1,0,0,0,0|2,0,1]=4 255 B13R1.3523 O=S(=O)(Cl)CCSC1=CC=CC=C1 Z1203133316 [0,1,0,0,0,0|2,0,1]=4 256 B13R2.10 NC1=NC(CO1)C2=CC=CC=C2 Z1262629910 [0,0,0,1,0,0|3,0,0]=4 257 B13R2.10 NC1=NCC(N1)C2=CC=CC=C2 Z4461628926 [0,0,0,1,0,0|3,0,0]=4 258 B13R2.10 NC1=NN(CC1)C2=CC=CC=C2 Z57473788 [0,0,0,1,0,0|3,0,0]=4 259 B13R2.10 NC1CCC(C1)C2=CC=CC=C2 Z1947438117 [0,0,0,1,0,0|2,0,1]=4 260 B13R2.10 O=C1C=C(CC1)C2=CC=CC=C2 Z1255492482 [0,0,0,1,0,0|1,0,1]=3 261 B13R2.10 O=C1C=C(CO1)C2=CC=CC=C2 Z1862024981 [0,0,0,1,0,0|2,0,1]=4 262 B13R2.10 O=C1CC(CN1)C2=CC=CC=C2 Z954601980 [0,0,0,1,0,0|2,0,0]=3 263 B13R2.10 O=C1CC(CN1)C2=CC=NC=C2 Z1251360630 [0,0,0,1,0,0|3,0,0]=4 264 B13R2.10 O=C1CC(CN1)C2=CN=CC=C2 Z1201628825 [0,0,0,1,0,0|3,0,0]=4 265 B13R2.10 O=C1CC(CO1)C2=CC=CC=C2 Z1551943626 [0,0,0,1,0,0|2,0,0]=3 266 B13R2.10 O=C1CCN(C1)C2=CC=CC=C2 Z234894137 [0,0,0,1,0,0|2,0,0]=3 267 B13R2.10 O=C1CCN(N1)C2=CC=CC=C2 Z104472448 [0,0,0,1,0,0|2,0,0]=3 268 B13R2.10 O=C1NC(CO1)C2=CC=CC=C2 Z57199626 [0,0,0,1,0,0|2,0,0]=3 269 B13R2.10 O=C1NCC(N1)C2=CC=CC=C2 Z1255433877 [0,0,0,1,0,0|2,0,0]=3 270 B13R2.10 OC1CCN(C1)C2=CC=CC=C2 Z1198184574 [0,0,0,1,0,0|2,0,1]=4 271 B13R2.10 OC1CNC(C1)C2=CC=CC=C2 Z2298064173 [0,0,0,1,0,0|2,0,1]=4 272 B13R2.31 N[C@H]1C[C@@H](C1)CC2=CC=CC=C2 Z5336692620 [0,0,0,1,0,0|2,0,1]=4 273 B13R2.31 O=C1CC(N1)CC2=CC=CC=C2 Z1198168168 [0,0,0,1,0,0|1,0,0]=2 274 B13R2.31 OC1CC(C1)CC2=CC=CC=C2 Z1551917814 [0,0,0,1,0,0|1,0,1]=3 275 B13R2.31 O[C@H]1C[C@H](C1)SC2=CC=CC=C2 Z2690875271 [0,0,0,1,0,0|2,0,1]=4 276 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 Z30624388 [0,0,0,1,0,0|2,0,0]=3 277 B13R2.72 NC(=O)C1CCC2=C1C=CC=C2 Z1127744301 [0,0,0,1,0,0|1,0,0]=2 278 B13R2.72 NC(=O)C1CNC2=C1C=CC=C2 Z1117856057 [0,0,0,1,0,0|2,0,0]=3 279 B13R2.72 NC(=O)N1CCC2=C1C=CC=C2 Z198194398 [0,0,0,1,0,0|2,0,0]=3 280 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 Z1201621664 [0,0,0,1,0,0|2,0,1]=4 281 B13R2.72 O=C(O)C1=C2C=CC=CC2=NS1 Z1198233085 [0,0,0,1,0,0|2,0,1]=4 282 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 Z89283908 [0,0,0,1,0,0|1,0,2]=4 283 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 Z897816312 [0,0,0,1,0,0|1,0,2]=4 284 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 Z199507040 [0,0,0,1,0,0|1,0,2]=4 285 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 Z104497388 [0,0,0,1,0,0|2,0,1]=4 286 B13R2.72 O=C(O)C1=NSC2=C1C=CC=C2 Z1198157386 [0,0,0,1,0,0|2,0,1]=4 287 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 Z792377300 [0,0,0,1,0,0|0,0,0]=1 288 B13R2.72 O=C(O)C1COC2=C1C=CC=C2 Z897815480 [0,0,0,1,0,0|1,0,0]=2 289 B13R2.72 O=C(O)C1CSC2=C1C=CC=C2 Z1222331919 [0,0,0,1,0,0|1,0,0]=2 290 B13R2.163 CC1CNCC2=C(O1)C=CC=C2 Z2197092164 [0,0,0,1,0,0|2,0,1]=4 291 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 Z1255446913 [0,0,0,1,0,0|1,0,0]=2 292 B13R2.163 O=C1CCCC2=C(N1)C=CC=C2 Z362764922 [0,0,0,1,0,0|1,0,0]=2 293 B13R2.163 O=C1CCCC2=C(N1)C=CC=N2 Z1216823228 [0,0,0,1,0,0|2,0,0]=3 294 B13R2.163 O=C1CCNC2=C(N1)C=CC=C2 Z57069349 [0,0,0,1,0,0|2,0,0]=3 295 B13R2.163 O=C1CCNC2=C(N1)C=CC=N2 Z1142665805 [0,0,0,1,0,0|3,0,0]=4 296 B13R2.163 O=C1CCOC2=C(N1)C=CC=C2 Z424764630 [0,0,0,1,0,0|2,0,0]=3 297 B13R2.163 O=C1CCSC2=C(N1)C=CC=C2 Z99598958 [0,0,0,1,0,0|2,0,0]=3 298 B13R2.163 O=C1CSCC2=C(N1)C=CC=C2 Z1198161340 [0,0,0,1,0,0|2,0,0]=3 299 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 Z1198162290 [0,0,0,1,0,0|0,0,0]=1 300 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2235584851 [0,0,0,1,0,0|0,0,0]=1 301 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=NC=C2 Z2379204261 [0,0,0,1,0,0|1,0,0]=2 302 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CN=CC=C2 Z2242045438 [0,0,0,1,0,0|1,0,0]=2 303 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=NC=CC=C2 Z3070727223 [0,0,0,1,0,0|1,0,0]=2 304 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 Z1235967724 [0,0,0,1,0,0|0,0,0]=1 305 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 Z1262510970 [0,0,0,1,0,0|0,0,0]=1 306 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 Z57931417 [0,0,0,1,0,0|1,0,1]=3 307 B13R2.2382 C1=CC=C(C=C1)COCC2CO2 Z56346889 [0,0,0,1,0,0|2,0,1]=4 308 B13R2.2382 C1=CC=C(C=C1)COC[C@@H]2CO2 Z1255431172 [0,0,0,1,0,0|2,0,1]=4 309 B13R2.2382 C1=CC=C(C=C1)COC[C@H]2CO2 Z1171222157 [0,0,0,1,0,0|2,0,1]=4 310 B13R2.3122 CC1(CCCC2=C1C=CC=C2)N Z1258542936 [0,0,0,1,0,0|2,0,1]=4 311 B13R2.3122 N=S1(=O)CCNC2=C1C=CC=C2 Z2867303866 [0,0,0,1,0,0|3,0,0]=4 312 B13R2.3122 O=S1(=O)CCNC2=C1C=CC=C2 Z217166120 [0,0,0,1,0,0|2,0,1]=4 313 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 Z2582847786 [0,0,0,0,1,0|1,0,2]=4 314 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [0,0,0,0,1,0|2,0,0]=3 315 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [0,0,0,0,1,0|2,0,0]=3 316 B11R1.91 CC(=O)NCC1=NC=CC=C1 Z324553036 [0,0,0,0,1,0|3,0,0]=4 317 B11R1.91 CC(=O)NNC1=CC=CC=C1 Z27767717 [0,0,0,0,1,0|3,0,0]=4 318 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [0,0,0,0,1,0|2,0,0]=3 319 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [0,0,0,0,1,0|2,0,1]=4 320 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [0,0,0,0,1,0|2,0,1]=4 321 B11R1.91 CN(C)CCC1=CC=CC=C1 Z168912026 [0,0,0,0,1,0|3,0,0]=4 322 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [0,0,0,0,1,0|2,0,1]=4 323 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [0,0,0,0,1,0|2,0,0]=3 324 B11R1.91 N=C(N)COC1=CC=CC=C1 Z1532540938 [0,0,0,0,1,0|3,0,0]=4 325 B11R1.91 N=C(N)CSC1=CC=CC=C1 Z1532718998 [0,0,0,0,1,0|3,0,0]=4 326 B11R1.91 N=C(N)SCC1=CC=CC=C1 Z89242849 [0,0,0,0,1,0|3,0,0]=4 327 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [0,0,0,0,1,0|1,0,0]=2 328 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [0,0,0,0,1,0|2,0,0]=3 329 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [0,0,0,0,1,0|2,0,0]=3 330 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [0,0,0,0,1,0|2,0,0]=3 331 B11R1.91 NC(=O)COC1=CN=CC=C1 Z336080090 [0,0,0,0,1,0|3,0,0]=4 332 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [0,0,0,0,1,0|2,0,0]=3 333 B11R1.91 NC(=O)CSC1=CC=NC=C1 Z33546963 [0,0,0,0,1,0|3,0,0]=4 334 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [0,0,0,0,1,0|2,0,0]=3 335 B11R1.91 NC(=O)NCC1=CC=NC=C1 Z198194796 [0,0,0,0,1,0|3,0,0]=4 336 B11R1.91 NC(=O)NCC1=CN=CC=C1 Z57664442 [0,0,0,0,1,0|3,0,0]=4 337 B11R1.91 NC(=O)NCC1=NC=CC=C1 Z198194794 [0,0,0,0,1,0|3,0,0]=4 338 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [0,0,0,0,1,0|2,0,0]=3 339 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [0,0,0,0,1,0|1,1,0]=3 340 B11R1.91 NC(=S)COC1=CC=CC=C1 Z108595128 [0,0,0,0,1,0|2,1,0]=4 341 B11R1.91 NC(=S)NCC1=CC=CC=C1 Z56900892 [0,0,0,0,1,0|2,1,0]=4 342 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [0,0,0,0,1,0|0,0,2]=3 343 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 Z2315575398 [0,0,0,0,1,0|1,0,2]=4 344 B11R1.91 O=C(O)/C=C/C1=CN=CC=C1 Z2315575379 [0,0,0,0,1,0|1,0,2]=4 345 B11R1.91 O=C(O)/C=C/C1=NC=CC=C1 Z57069085 [0,0,0,0,1,0|1,0,2]=4 346 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [0,0,0,0,1,0|0,0,2]=3 347 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [0,0,0,0,1,0|0,0,0]=1 348 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [0,0,0,0,1,0|1,0,0]=2 349 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [0,0,0,0,1,0|1,0,0]=2 350 B11R1.91 O=C(O)CCC1=CN=CN=C1 Z1198279878 [0,0,0,0,1,0|2,0,0]=3 351 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [0,0,0,0,1,0|1,0,0]=2 352 B11R1.91 O=C(O)CCC1=NC=CC=N1 Z1255372831 [0,0,0,0,1,0|2,0,0]=3 353 B11R1.91 O=C(O)CCC1=NC=CN=C1 Z1198184629 [0,0,0,0,1,0|2,0,0]=3 354 B11R1.91 O=C(O)CCC1=NC=NC=C1 Z1184882132 [0,0,0,0,1,0|2,0,0]=3 355 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [0,0,0,0,1,0|1,0,0]=2 356 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [0,0,0,0,1,0|2,0,0]=3 357 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [0,0,0,0,1,0|2,0,0]=3 358 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [0,0,0,0,1,0|2,0,0]=3 359 B11R1.91 O=C(O)CNC1=NC=CC=N1 Z228588498 [0,0,0,0,1,0|3,0,0]=4 360 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [0,0,0,0,1,0|1,0,0]=2 361 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [0,0,0,0,1,0|2,0,0]=3 362 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [0,0,0,0,1,0|1,0,0]=2 363 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [0,0,0,0,1,0|2,0,0]=3 364 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [0,0,0,0,1,0|2,0,0]=3 365 B11R1.91 O=C(O)CSC1=NC=CC=N1 Z31205664 [0,0,0,0,1,0|3,0,0]=4 366 B11R1.91 O=C([O-])COC1=NC=CC=C1 Z2989350877 [0,0,0,0,1,0|2,0,1]=4 367 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [0,0,0,0,1,0|1,0,1]=3 368 B11R1.91 O=[N+]([O-])CSC1=CC=CC=C1 Z1255375331 [0,0,0,0,1,0|2,0,1]=4 369 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [0,0,0,0,1,0|1,0,1]=3 370 B11R1.172 CC(=O)NCCC1=CC=CS1 Z29191379 [0,0,0,0,1,0|3,0,0]=4 371 B11R1.172 NC(=O)NCCC1=CC=CS1 Z90123296 [0,0,0,0,1,0|3,0,0]=4 372 B11R1.172 O=C(O)CCCC1=CC=CS1 Z56951195 [0,0,0,0,1,0|1,0,0]=2 373 B11R1.172 O=C(O)CCCC1=CNN=N1 Z1262553644 [0,0,0,0,1,0|3,0,0]=4 374 B11R1.172 O=C(O)CCCC1=NC=CO1 Z1262554930 [0,0,0,0,1,0|2,0,0]=3 375 B11R1.172 O=C(O)CCCN1C=CC=C1 Z245326710 [0,0,0,0,1,0|1,0,0]=2 376 B11R1.172 O=C(O)CCCN1C=CC=N1 Z285049638 [0,0,0,0,1,0|2,0,0]=3 377 B11R1.172 O=C(O)CCCN1C=CN=C1 Z285049642 [0,0,0,0,1,0|2,0,0]=3 378 B11R1.172 O=C(O)CCCN1C=NC=N1 Z285049640 [0,0,0,0,1,0|3,0,0]=4 379 B11R1.172 O=C(O)CCNC1=NC=CS1 Z295404866 [0,0,0,0,1,0|3,0,0]=4 380 B11R1.172 O=C(O)CSCC1=CC=CS1 Z57983103 [0,0,0,0,1,0|2,0,0]=3 381 B11R1.172 O=C(O)CSCC1=CSC=C1 Z107334134 [0,0,0,0,1,0|2,0,0]=3 382 B11R1.172 O=C(O)CSCC1=CSC=N1 Z149152078 [0,0,0,0,1,0|3,0,0]=4 383 B11R1.172 O=C(O)CSCC1=NC=CN1 Z1162907897 [0,0,0,0,1,0|3,0,0]=4 384 B11R1.172 O=C([O-])CCCC1=NC=CS1 Z2010010280 [0,0,0,0,1,0|2,0,1]=4 385 B11R1.172 O=C([O-])COCC1=CC=CO1 Z818727290 [0,0,0,0,1,0|2,0,1]=4 386 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 Z820117496 [0,0,0,0,0,1|1,0,0]=2 387 B13R1.337 CC(=O)NCCCC1=CC=CC=C1 Z26437154 [0,0,0,0,0,1|1,0,0]=2 388 B13R1.337 CC(=O)NCCSC1=CC=CC=C1 Z91147666 [0,0,0,0,0,1|2,0,0]=3 389 B13R1.337 CC(=O)OC/C=C/C1=CC=CC=C1 Z19628284 [0,0,0,0,0,1|1,0,2]=4 390 B13R1.337 CC(C)CNCCC1=CC=CC=C1 Z90503847 [0,0,0,0,0,1|2,0,1]=4 391 B13R1.337 N=C(N)CCCOC1=CC=CC=C1 Z1702888520 [0,0,0,0,0,1|2,0,0]=3 392 B13R1.337 N=C(N)SCCOC1=CC=CC=C1 Z48820147 [0,0,0,0,0,1|3,0,0]=4 393 B13R1.337 NC(=O)CCCOC1=CC=CC=C1 Z33546386 [0,0,0,0,0,1|1,0,0]=2 394 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 Z53116260 [0,0,0,0,0,1|1,0,0]=2 395 B13R1.337 NC(=O)CCNCC1=CN=CC=C1 Z1706585640 [0,0,0,0,0,1|2,0,0]=3 396 B13R1.337 NC(=O)CCNCC1=NC=CC=N1 Z995101296 [0,0,0,0,0,1|3,0,0]=4 397 B13R1.337 NC(=O)CCSCC1=CC=CC=C1 Z102924572 [0,0,0,0,0,1|1,0,0]=2 398 B13R1.337 NC(=O)NCCCC1=CC=CC=C1 Z198194892 [0,0,0,0,0,1|1,0,0]=2 399 B13R1.337 O=C(O)C#CCCC1=CC=CC=C1 Z1235951037 [0,0,0,0,0,1|0,0,1]=2 400 B13R1.337 O=C(O)C#CCOC1=CC=CC=C1 Z1235950909 [0,0,0,0,0,1|0,0,2]=3 401 B13R1.337 O=C(O)CC/C=C/C1=CC=CC=C1 Z1222331031 [0,0,0,0,0,1|0,0,1]=2 402 B13R1.337 O=C(O)CCC#CC1=CC=CC=C1 Z1262510757 [0,0,0,0,0,1|0,0,1]=2 403 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 Z361415662 [0,0,0,0,0,1|0,0,0]=1 404 B13R1.337 O=C(O)CCCNC1=CC=CC=C1 Z445129480 [0,0,0,0,0,1|0,0,0]=1 405 B13R1.337 O=C(O)CCCNC1=NC=CC=N1 Z228589440 [0,0,0,0,0,1|2,0,0]=3 406 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 Z104496174 [0,0,0,0,0,1|0,0,0]=1 407 B13R1.337 O=C(O)CCCOC1=CN=CC=C1 Z927645802 [0,0,0,0,0,1|1,0,0]=2 408 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 Z56862233 [0,0,0,0,0,1|0,0,0]=1 409 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 Z335451288 [0,0,0,0,0,1|0,0,0]=1 410 B13R1.337 O=C(O)CCNCC1=CC=NC=C1 Z444311616 [0,0,0,0,0,1|1,0,0]=2 411 B13R1.337 O=C(O)CCNCC1=CN=CC=C1 Z1272739864 [0,0,0,0,0,1|1,0,0]=2 412 B13R1.337 O=C(O)CCNCC1=NC=CC=C1 Z444311590 [0,0,0,0,0,1|1,0,0]=2 413 B13R1.337 O=C(O)CCNCC1=NC=CC=N1 Z995103122 [0,0,0,0,0,1|2,0,0]=3 414 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 Z316258802 [0,0,0,0,0,1|0,0,0]=1 415 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 Z54671437 [0,0,0,0,0,1|0,0,0]=1 416 B13R1.337 O=C(O)CCSCC1=NC=CC=C1 Z295403834 [0,0,0,0,0,1|1,0,0]=2 417 B13R1.337 O=C(O)CNCCC1=CC=CC=C1 Z1278590824 [0,0,0,0,0,1|0,0,0]=1 418 B13R1.337 O=C(O)COCCC1=CC=CC=C1 Z362795648 [0,0,0,0,0,1|0,0,0]=1 419 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 Z228588554 [0,0,0,0,0,1|0,0,0]=1 420 B10R1.17 BrCCOC1=CC=CC=C1 Z56950513 [2,0,0,0,0,0|2,0,0]=4 421 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [2,0,0,0,0,0|0,0,1]=3 422 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [2,0,0,0,0,0|1,0,1]=4 423 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [2,0,0,0,0,0|1,0,1]=4 424 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [2,0,0,0,0,0|1,0,1]=4 425 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [2,0,0,0,0,0|1,0,1]=4 426 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [2,0,0,0,0,0|1,0,0]=3 427 B10R1.17 NCCCC1=CN=CC=C1 Z3058301115 [2,0,0,0,0,0|2,0,0]=4 428 B10R1.17 NCCCC1=NC=CC=C1 Z600381818 [2,0,0,0,0,0|2,0,0]=4 429 B10R1.17 NCCOC1=CC=CC=C1 Z355423232 [2,0,0,0,0,0|2,0,0]=4 430 B10R1.17 NCCSC1=CC=CC=C1 Z57970213 [2,0,0,0,0,0|2,0,0]=4 431 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [2,0,0,0,0,0|2,0,0]=4 432 B10R1.17 O=C/C=C/C1=CC=CC=C1 Z3219847383 [2,0,0,0,0,0|0,0,2]=4 433 B10R1.17 O=CC#CC1=CC=CC=C1 Z1255485337 [2,0,0,0,0,0|0,0,2]=4 434 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [2,0,0,0,0,0|0,0,0]=2 435 B10R1.17 O=CCCC1=CC=NC=C1 Z1070006438 [2,0,0,0,0,0|1,0,0]=3 436 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [2,0,0,0,0,0|1,0,0]=3 437 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [2,0,0,0,0,0|1,0,0]=3 438 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [2,0,0,0,0,0|1,0,0]=3 439 B10R1.17 O=CCOC1=NC=CC=C1 Z1255434510 [2,0,0,0,0,0|2,0,0]=4 440 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [2,0,0,0,0,0|1,0,0]=3 441 B10R1.17 O=CNNC1=CC=CC=C1 Z1198148433 [2,0,0,0,0,0|2,0,0]=4 442 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [2,0,0,0,0,0|0,0,2]=4 443 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [2,0,0,0,0,0|0,0,0]=2 444 B10R1.17 OCCCC1=CC=NC=C1 Z104475752 [2,0,0,0,0,0|1,0,0]=3 445 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [2,0,0,0,0,0|1,0,0]=3 446 B10R1.17 OCCCC1=NC=NC=C1 Z2044799287 [2,0,0,0,0,0|2,0,0]=4 447 B10R1.17 OCCNC1=CC=NC=C1 Z359301874 [2,0,0,0,0,0|2,0,0]=4 448 B10R1.17 OCCNC1=NC=CC=C1 Z31212159 [2,0,0,0,0,0|2,0,0]=4 449 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [2,0,0,0,0,0|1,0,0]=3 450 B10R1.17 OCCOC1=CN=CC=C1 Z1180078238 [2,0,0,0,0,0|2,0,0]=4 451 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [2,0,0,0,0,0|1,0,0]=3 452 B12R1.1 CC1=CC=C(C=C1)CNCCO Z57328136 [1,1,0,0,0,0|1,0,1]=4 453 B12R1.1 NC1=CC=C(C=C1)CCCCO Z1262622677 [1,1,0,0,0,0|0,0,1]=3 454 B12R1.1 NC1=CC=C(C=C1)COCCO Z332379572 [1,1,0,0,0,0|1,0,1]=4 455 B12R1.1 NC1=CC=C(C=C1)OCCCO Z382707186 [1,1,0,0,0,0|1,0,1]=4 456 B12R1.1 NC1=CC=C(C=C1)SCCCO Z412012390 [1,1,0,0,0,0|1,0,1]=4 457 B12R1.1 NCCCCC1=CC=C(C=C1)Br Z5880376049 [1,1,0,0,0,0|1,0,1]=4 458 B12R1.1 NCCCCC1=CC=C(C=C1)Cl Z3234944947 [1,1,0,0,0,0|1,0,1]=4 459 B12R1.1 OCCCNC1=CC=C(C=C1)Cl Z104647680 [1,1,0,0,0,0|1,0,1]=4 460 B12R1.1 OCCCOC1=CC=C(C=C1)Br Z425795726 [1,1,0,0,0,0|1,0,1]=4 461 B12R1.1 OCCCOC1=CC=C(C=C1)F Z228585902 [1,1,0,0,0,0|1,0,1]=4 462 B12R1.1 OCCNCC1=CC=C(C=C1)F Z3225797537 [1,1,0,0,0,0|1,0,1]=4 463 B12R1.8 C=CCNCCC1=CC=CC=C1 Z90513756 [1,1,0,0,0,0|1,0,0]=3 464 B12R1.8 CCCCCOC1=CC=CC=C1 Z239095428 [1,1,0,0,0,0|1,0,1]=4 465 B12R1.8 CCCNCCC1=CC=CC=C1 Z90518163 [1,1,0,0,0,0|1,0,1]=4 466 B12R1.8 CNCCCCC1=CC=CC=C1 Z385446848 [1,1,0,0,0,0|1,0,1]=4 467 B12R1.8 CNCCCNC1=CC=CC=C1 Z852438504 [1,1,0,0,0,0|2,0,0]=4 468 B12R1.8 CNCCCOC1=CC=CC=C1 Z163881564 [1,1,0,0,0,0|2,0,0]=4 469 B12R1.8 CNCCNCC1=CC=CC=C1 Z425484772 [1,1,0,0,0,0|2,0,0]=4 470 B12R1.8 COCCNCC1=CC=CC=C1 Z56945503 [1,1,0,0,0,0|1,0,1]=4 471 B12R1.8 N#CCCOCC1=CC=CC=C1 Z317037710 [1,1,0,0,0,0|1,0,1]=4 472 B12R1.8 NCCCCCC1=CC=CC=C1 Z820118542 [1,1,0,0,0,0|1,0,1]=4 473 B12R1.8 NCCCOCC1=CC=CC=C1 Z104377938 [1,1,0,0,0,0|1,0,1]=4 474 B12R1.8 NCCOCCC1=CC=CC=C1 Z1270210787 [1,1,0,0,0,0|1,0,1]=4 475 B12R1.8 O=CCCCOC1=CC=CC=C1 Z993017686 [1,1,0,0,0,0|0,0,0]=2 476 B12R1.8 OCCCCOC1=CC=CC=C1 Z425795850 [1,1,0,0,0,0|0,0,1]=3 477 B12R1.8 OCCCNCC1=CC=CC=C1 Z57079457 [1,1,0,0,0,0|0,0,1]=3 478 B12R1.8 OCCCNCC1=CC=NC=C1 Z57455339 [1,1,0,0,0,0|1,0,1]=4 479 B12R1.8 OCCCNCC1=CN=CC=C1 Z57244080 [1,1,0,0,0,0|1,0,1]=4 480 B12R1.8 OCCCOCC1=CC=CC=C1 Z1080358454 [1,1,0,0,0,0|0,0,1]=3 481 B12R1.8 OCCCSCC1=CC=CC=C1 Z104944808 [1,1,0,0,0,0|0,0,1]=3 482 B12R1.8 OCCNCCC1=CC=CC=C1 Z90504498 [1,1,0,0,0,0|0,0,1]=3 483 B12R1.27 C=C(C=O)OCC1=CC=CC=C1 Z1198183530 [1,1,0,0,0,0|1,0,1]=4 484 B12R1.27 CC(C=O)CCC1=CC=CC=C1 Z1238838034 [1,1,0,0,0,0|0,0,0]=2 485 B12R1.27 CC(CO)COC1=CC=CC=C1 Z1255385347 [1,1,0,0,0,0|1,0,1]=4 486 B12R1.27 CC(CO)OCC1=CC=CC=C1 Z1492906786 [1,1,0,0,0,0|1,0,1]=4 487 B12R1.27 CCC(N)CCC1=CC=CC=C1 Z406453862 [1,1,0,0,0,0|1,0,1]=4 488 B12R1.27 CN(CCC1=CC=CC=C1)N=O Z3965372830 [1,1,0,0,0,0|2,0,0]=4 489 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 Z823499606 [1,1,0,0,0,0|1,0,1]=4 490 B12R1.27 N/C(=N\O)/CCC1=CC=CC=C1 Z285132818 [1,1,0,0,0,0|1,0,1]=4 491 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 Z1201626370 [1,1,0,0,0,0|1,0,1]=4 492 B12R1.28 C=CCCOC1=CC=CC(=C1)N Z1219749397 [1,1,0,0,0,0|2,0,0]=4 493 B12R1.28 CC1=CC(=CC=C1)CNCCO Z1836652697 [1,1,0,0,0,0|1,0,1]=4 494 B12R1.28 OCCCCC1=CC(=CC=C1)Br Z1233226242 [1,1,0,0,0,0|0,0,1]=3 495 B12R1.28 OCCCOC1=CC(=CC=C1)Br Z425795856 [1,1,0,0,0,0|1,0,1]=4 496 B12R1.28 OCCNCC1=CC(=CC=C1)Cl Z1839480752 [1,1,0,0,0,0|1,0,1]=4 497 B12R1.28 OCCNCC1=CC(=CC=C1)F Z1840356205 [1,1,0,0,0,0|1,0,1]=4 498 B12R1.30 C=CCCC(=O)C1=CC=CC=C1 Z406376458 [1,1,0,0,0,0|1,0,1]=4 499 B12R1.30 C=CCCC(N)C1=CC=CC=C1 Z1219748388 [1,1,0,0,0,0|1,0,0]=3 500 B12R1.30 CCCCC(O)C1=CC=CC=C1 Z445987132 [1,1,0,0,0,0|1,0,1]=4 501 B12R1.30 CCCC[C@@H](N)C1=CC=CC=C1 Z1642061107 [1,1,0,0,0,0|1,0,1]=4 502 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 Z1127664488 [1,1,0,0,0,0|1,0,1]=4 503 B12R1.30 CCCC[C@H](N)C1=CC=CC=C1 Z1649893428 [1,1,0,0,0,0|1,0,1]=4 504 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 Z1127664374 [1,1,0,0,0,0|1,0,1]=4 505 B12R1.30 CN(CCCO)C1=CC=CC=C1 Z104585644 [1,1,0,0,0,0|1,0,1]=4 506 B12R1.30 COCCC(O)C1=CC=CC=C1 Z818738046 [1,1,0,0,0,0|2,0,0]=4 507 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 Z1079131628 [1,1,0,0,0,0|1,0,1]=4 508 B12R1.30 N#CCCC(N)C1=CC=CC=C1 Z1492796961 [1,1,0,0,0,0|1,0,1]=4 509 B12R1.30 NC(CCCO)C1=CC=CC=C1 Z1245735325 [1,1,0,0,0,0|0,0,1]=3 510 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [1,1,0,0,0,0|1,0,1]=4 511 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [1,1,0,0,0,0|1,0,1]=4 512 B12R1.32 CNCC(N)CC1=CC=CC=C1 Z756920442 [1,1,0,0,0,0|2,0,0]=4 513 B12R1.32 COCC(N)CC1=CC=CC=C1 Z825742276 [1,1,0,0,0,0|2,0,0]=4 514 B12R1.32 NC(CCO)CC1=CC=CC=C1 Z1992316427 [1,1,0,0,0,0|0,0,1]=3 515 B12R1.267 C=CCNCC1=C(C=CC=C1)F Z744843672 [1,1,0,0,0,0|2,0,0]=4 516 B12R1.267 N#CCCCC1=C(C=CC=C1)Br Z1269161079 [1,1,0,0,0,0|1,0,1]=4 517 B12R1.267 N#CCCCC1=C(C=CC=C1)Cl Z1198169265 [1,1,0,0,0,0|1,0,1]=4 518 B12R1.267 NC1=C(C=CC=C1)NCCCO Z390185384 [1,1,0,0,0,0|1,0,1]=4 519 B12R1.267 O=CCCCC1=C(C=CC=C1)Br Z1233207918 [1,1,0,0,0,0|0,0,0]=2 520 B12R1.267 O=CCCCC1=C(C=CC=C1)F Z1233207919 [1,1,0,0,0,0|0,0,0]=2 521 B12R1.267 OCCCOC1=C(C=CC=C1)Br Z149303380 [1,1,0,0,0,0|1,0,1]=4 522 B12R1.267 OCCCOC1=C(C=CC=C1)Cl Z149161814 [1,1,0,0,0,0|1,0,1]=4 523 B12R1.267 OCCNCC1=C(C=CC=C1)Br Z90504623 [1,1,0,0,0,0|1,0,1]=4 524 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [0,1,0,0,1,0|1,0,0]=3 525 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [0,1,0,0,1,0|1,0,0]=3 526 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [0,1,0,0,1,0|1,0,0]=3 527 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Br Z816034502 [0,1,0,0,1,0|2,0,0]=4 528 B12R1.21 CC(=O)NCC1=CC=C(C=C1)N Z600391558 [0,1,0,0,1,0|2,0,0]=4 529 B12R1.21 CC(O)CCC1=CC=C(C=C1)O Z57921369 [0,1,0,0,1,0|1,0,1]=4 530 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851512 [0,1,0,0,1,0|0,0,2]=4 531 B12R1.21 CC1=CC=C(C=C1)CCC(=O)N Z194976512 [0,1,0,0,1,0|1,0,0]=3 532 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [0,1,0,0,1,0|0,0,0]=2 533 B12R1.21 CC1=CC=C(C=C1)CNC(=O)N Z198194838 [0,1,0,0,1,0|2,0,0]=4 534 B12R1.21 CC1=CC=C(C=C1)OCC(=O)N Z19732046 [0,1,0,0,1,0|2,0,0]=4 535 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O Z56812739 [0,1,0,0,1,0|1,0,0]=3 536 B12R1.21 CC1=CC=C(C=C1)SCC(=O)N Z18770000 [0,1,0,0,1,0|2,0,0]=4 537 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O Z55903478 [0,1,0,0,1,0|1,0,0]=3 538 B12R1.21 CC1=NC=C(C=C1)CCC(=O)O Z2310699273 [0,1,0,0,1,0|1,0,0]=3 539 B12R1.21 NC(=O)CCC1=CC=C(C=C1)F Z87614992 [0,1,0,0,1,0|1,0,0]=3 540 B12R1.21 NC(=O)CCC1=CC=C(C=C1)N Z414316852 [0,1,0,0,1,0|1,0,0]=3 541 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Br Z104586672 [0,1,0,0,1,0|2,0,0]=4 542 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Cl Z104647358 [0,1,0,0,1,0|2,0,0]=4 543 B12R1.21 NC(=O)CNC1=CC=C(C=C1)I Z104728120 [0,1,0,0,1,0|2,0,0]=4 544 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br Z19725712 [0,1,0,0,1,0|2,0,0]=4 545 B12R1.21 NC(=O)COC1=CC=C(C=C1)F Z19734788 [0,1,0,0,1,0|2,0,0]=4 546 B12R1.21 NC(=O)COC1=CC=C(C=C1)I Z25086979 [0,1,0,0,1,0|2,0,0]=4 547 B12R1.21 NC(=O)COC1=CC=C(C=C1)N Z239127428 [0,1,0,0,1,0|2,0,0]=4 548 B12R1.21 NC(=O)COC1=CC=C(C=C1)O Z381414726 [0,1,0,0,1,0|2,0,0]=4 549 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Br Z18744574 [0,1,0,0,1,0|2,0,0]=4 550 B12R1.21 NC(=O)CSC1=CC=C(C=C1)F Z16034821 [0,1,0,0,1,0|2,0,0]=4 551 B12R1.21 NC(=O)NCC1=CC=C(C=C1)F Z198194834 [0,1,0,0,1,0|2,0,0]=4 552 B12R1.21 NC(=O)NCC1=CC=C(C=C1)N Z600391988 [0,1,0,0,1,0|2,0,0]=4 553 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O Z56762319 [0,1,0,0,1,0|0,0,2]=4 554 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [0,1,0,0,1,0|0,0,0]=2 555 B12R1.21 NC1=CC=C(C=C1)OCC(=O)O Z3241275736 [0,1,0,0,1,0|1,0,0]=3 556 B12R1.21 NC1=NC=C(C=C1)CCC(=O)O Z1255384430 [0,1,0,0,1,0|1,0,0]=3 557 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Br Z2237493681 [0,1,0,0,1,0|0,0,2]=4 558 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Cl Z56989206 [0,1,0,0,1,0|0,0,2]=4 559 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)F Z2942851074 [0,1,0,0,1,0|0,0,2]=4 560 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)O Z56911963 [0,1,0,0,1,0|0,0,2]=4 561 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [0,1,0,0,1,0|0,0,0]=2 562 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [0,1,0,0,1,0|0,0,0]=2 563 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [0,1,0,0,1,0|0,0,0]=2 564 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [0,1,0,0,1,0|0,0,0]=2 565 B12R1.21 O=C(O)CCC1=CN=C(C=C1)Cl Z1695923041 [0,1,0,0,1,0|1,0,0]=3 566 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Z1889997460 [0,1,0,0,1,0|1,0,0]=3 567 B12R1.21 O=C(O)CCC1=NC=C(C=C1)Br Z1269216724 [0,1,0,0,1,0|1,0,0]=3 568 B12R1.21 O=C(O)CCC1=NC=C(C=N1)F Z1347205920 [0,1,0,0,1,0|2,0,0]=4 569 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Br Z274534708 [0,1,0,0,1,0|1,0,0]=3 570 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Cl Z274534702 [0,1,0,0,1,0|1,0,0]=3 571 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O Z57127481 [0,1,0,0,1,0|1,0,0]=3 572 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br Z56812736 [0,1,0,0,1,0|1,0,0]=3 573 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl Z57181989 [0,1,0,0,1,0|1,0,0]=3 574 B12R1.21 O=C(O)COC1=CC=C(C=C1)F Z56978034 [0,1,0,0,1,0|1,0,0]=3 575 B12R1.21 O=C(O)COC1=CC=C(C=C1)I Z56943814 [0,1,0,0,1,0|1,0,0]=3 576 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [0,1,0,0,1,0|1,0,0]=3 577 B12R1.21 O=C(O)COC1=NC=C(C=C1)Br Z1269227587 [0,1,0,0,1,0|2,0,0]=4 578 B12R1.21 O=C(O)COC1=NC=C(C=C1)F Z1723875084 [0,1,0,0,1,0|2,0,0]=4 579 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Br Z55903477 [0,1,0,0,1,0|1,0,0]=3 580 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Cl Z55179956 [0,1,0,0,1,0|1,0,0]=3 581 B12R1.21 O=C(O)CSC1=CC=C(C=C1)F Z55903650 [0,1,0,0,1,0|1,0,0]=3 582 B12R1.21 O=C(O)CSC1=CC=C(C=C1)O Z733878444 [0,1,0,0,1,0|1,0,0]=3 583 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O Z2980228149 [0,1,0,0,1,0|0,0,2]=4 584 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [0,1,0,0,1,0|1,0,0]=3 585 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [0,1,0,0,1,0|0,0,0]=2 586 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Z3477804988 [0,1,0,0,1,0|1,0,0]=3 587 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [0,1,0,0,1,0|1,0,0]=3 588 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [0,1,0,0,1,0|1,0,0]=3 589 B12R1.43 CC(OC1=CN=CC=C1)C(=O)O Z336080820 [0,1,0,0,1,0|2,0,0]=4 590 B12R1.43 CC(OC1=NC=CC=C1)C(=O)O Z360507460 [0,1,0,0,1,0|2,0,0]=4 591 B12R1.43 CC(SC1=CC=CC=C1)C(=O)N Z19751098 [0,1,0,0,1,0|2,0,0]=4 592 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [0,1,0,0,1,0|1,0,0]=3 593 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O Z31250551 [0,1,0,0,1,0|2,0,0]=4 594 B12R1.43 CN(CC1=CC=CC=C1)C(=O)N Z198194348 [0,1,0,0,1,0|2,0,0]=4 595 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [0,1,0,0,1,0|0,0,0]=2 596 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [0,1,0,0,1,0|1,0,0]=3 597 B12R1.43 NC(=O)C(N)CC1=NC=CC=C1 Z4981909244 [0,1,0,0,1,0|2,0,0]=4 598 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [0,1,0,0,1,0|1,0,0]=3 599 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [0,1,0,0,1,0|1,0,0]=3 600 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [0,1,0,0,1,0|0,0,0]=2 601 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [0,1,0,0,1,0|1,0,0]=3 602 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [0,1,0,0,1,0|1,0,0]=3 603 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O Z3697694105 [0,1,0,0,1,0|2,0,0]=4 604 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [0,1,0,0,1,0|1,0,0]=3 605 B12R1.43 NC(CC1=NC=CC=N1)C(=O)O Z2432992279 [0,1,0,0,1,0|2,0,0]=4 606 B12R1.43 NC(CC1=NC=NC=C1)C(=O)O Z2470415568 [0,1,0,0,1,0|2,0,0]=4 607 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [0,1,0,0,1,0|0,0,0]=2 608 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [0,1,0,0,1,0|0,0,0]=2 609 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [0,1,0,0,1,0|0,0,1]=3 610 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 Z362848468 [0,1,0,0,1,0|1,0,1]=4 611 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [0,1,0,0,1,0|0,0,0]=2 612 B12R1.43 O=C(O)C(O)CC1=NC=CC=C1 Z3486862716 [0,1,0,0,1,0|1,0,0]=3 613 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [0,1,0,0,1,0|0,0,0]=2 614 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [0,1,0,0,1,0|0,0,0]=2 615 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 Z352748396 [0,1,0,0,1,0|0,0,2]=4 616 B12R1.107 C=C(C)CC(N)C1=CC=CC=C1 Z4497189696 [0,1,0,0,1,0|2,0,0]=4 617 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [0,1,0,0,1,0|1,0,0]=3 618 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [0,1,0,0,1,0|0,0,0]=2 619 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Z352782496 [0,1,0,0,1,0|1,0,0]=3 620 B12R1.107 CC(NC(=O)N)C1=CC=CC=C1 Z198194342 [0,1,0,0,1,0|2,0,0]=4 621 B12R1.107 CN(CC(=O)N)C1=CC=CC=C1 Z54747686 [0,1,0,0,1,0|2,0,0]=4 622 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z1162448842 [0,1,0,0,1,0|1,0,0]=3 623 B12R1.107 CN(CC(=O)O)C1=CC=NC=C1 Z317257814 [0,1,0,0,1,0|2,0,0]=4 624 B12R1.107 CS(=O)CC(N)C1=CC=CC=C1 Z1238793494 [0,1,0,0,1,0|2,0,0]=4 625 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [0,1,0,0,1,0|0,0,0]=2 626 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 Z317027344 [0,1,0,0,1,0|1,0,0]=3 627 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [0,1,0,0,1,0|0,0,0]=2 628 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [0,1,0,0,1,0|0,0,0]=2 629 B12R1.107 O=C(O)/C=C(\I)/C1=CC=CC=C1 Z3379426714 [0,1,0,0,1,0|0,0,2]=4 630 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [0,1,0,0,1,0|0,0,0]=2 631 B12R1.107 O=C(O)NC(=O)C1=CC=CC=C1 Z56928966 [0,1,0,0,1,0|1,0,1]=4 632 B12R1.125 CC(=O)CCC1=C(C=CC=C1)F Z406376954 [0,1,0,0,1,0|1,0,0]=3 633 B12R1.125 CC(=O)NCC1=C(C=CC=C1)F Z29857733 [0,1,0,0,1,0|2,0,0]=4 634 B12R1.125 CC(=O)NCC1=C(C=CC=C1)N Z3711224127 [0,1,0,0,1,0|2,0,0]=4 635 B12R1.125 CC1=C(C=CC=C1)/C=C/C(=O)O Z2417574586 [0,1,0,0,1,0|0,0,2]=4 636 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O Z317037960 [0,1,0,0,1,0|0,0,0]=2 637 B12R1.125 CC1=C(C=CC=C1)NCC(=O)N Z104590676 [0,1,0,0,1,0|2,0,0]=4 638 B12R1.125 CC1=C(C=CC=C1)OCC(=O)N Z19733874 [0,1,0,0,1,0|2,0,0]=4 639 B12R1.125 CC1=C(C=CC=C1)OCC(=O)O Z56820406 [0,1,0,0,1,0|1,0,0]=3 640 B12R1.125 CC1=C(C=CC=C1)SCC(=O)O Z56870728 [0,1,0,0,1,0|1,0,0]=3 641 B12R1.125 CC1=C(C=CC=N1)CCC(=O)O Z3213741164 [0,1,0,0,1,0|1,0,0]=3 642 B12R1.125 CC1=C(N=CC=C1)CCC(=O)O Z1198279885 [0,1,0,0,1,0|1,0,0]=3 643 B12R1.125 NC(=O)CCC1=C(C=CC=C1)Br Z741559968 [0,1,0,0,1,0|1,0,0]=3 644 B12R1.125 NC(=O)CCC1=C(C=CC=C1)N Z414316848 [0,1,0,0,1,0|1,0,0]=3 645 B12R1.125 NC(=O)CCC1=C(C=CC=C1)O Z371352778 [0,1,0,0,1,0|1,0,0]=3 646 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Br Z137588472 [0,1,0,0,1,0|2,0,0]=4 647 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Cl Z104528166 [0,1,0,0,1,0|2,0,0]=4 648 B12R1.125 NC(=O)CNC1=C(C=CC=C1)I Z133437412 [0,1,0,0,1,0|2,0,0]=4 649 B12R1.125 NC(=O)COC1=C(C=CC=C1)Br Z17829253 [0,1,0,0,1,0|2,0,0]=4 650 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl Z19726626 [0,1,0,0,1,0|2,0,0]=4 651 B12R1.125 NC(=O)COC1=C(C=CC=C1)F Z19724798 [0,1,0,0,1,0|2,0,0]=4 652 B12R1.125 NC(=O)COC1=C(C=CC=C1)I Z406416164 [0,1,0,0,1,0|2,0,0]=4 653 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Br Z149386624 [0,1,0,0,1,0|2,0,0]=4 654 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Cl Z18459622 [0,1,0,0,1,0|2,0,0]=4 655 B12R1.125 NC(=O)CSC1=C(C=CC=C1)N Z57332466 [0,1,0,0,1,0|2,0,0]=4 656 B12R1.125 NC(=O)NCC1=C(C=CC=C1)Cl Z198194806 [0,1,0,0,1,0|2,0,0]=4 657 B12R1.125 NC(=O)NCC1=C(C=CC=C1)F Z198194842 [0,1,0,0,1,0|2,0,0]=4 658 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Br Z2315575361 [0,1,0,0,1,0|0,0,2]=4 659 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl Z57264035 [0,1,0,0,1,0|0,0,2]=4 660 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)F Z2573655240 [0,1,0,0,1,0|0,0,2]=4 661 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Br Z406704244 [0,1,0,0,1,0|0,0,0]=2 662 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl Z56943366 [0,1,0,0,1,0|0,0,0]=2 663 B12R1.125 O=C(O)CCC1=C(C=CC=C1)F Z57991059 [0,1,0,0,1,0|0,0,0]=2 664 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O Z56347225 [0,1,0,0,1,0|0,0,0]=2 665 B12R1.125 O=C(O)CCN1C=CC=CC1=O Z240085344 [0,1,0,0,1,0|1,0,0]=3 666 B12R1.125 O=C(O)CCN1C=CC=NC1=O Z432066996 [0,1,0,0,1,0|2,0,0]=4 667 B12R1.125 O=C(O)CCN1C=NC=CC1=O Z1154745726 [0,1,0,0,1,0|2,0,0]=4 668 B12R1.125 O=C(O)CCN1N=CC=CC1=O Z1021422926 [0,1,0,0,1,0|2,0,0]=4 669 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl Z274534698 [0,1,0,0,1,0|1,0,0]=3 670 B12R1.125 O=C(O)COC1=C(C=CC=C1)Br Z111834298 [0,1,0,0,1,0|1,0,0]=3 671 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl Z57042068 [0,1,0,0,1,0|1,0,0]=3 672 B12R1.125 O=C(O)COC1=C(C=CC=C1)F Z56823442 [0,1,0,0,1,0|1,0,0]=3 673 B12R1.125 O=C(O)COC1=C(C=CC=C1)O Z56869464 [0,1,0,0,1,0|1,0,0]=3 674 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Br Z56827233 [0,1,0,0,1,0|1,0,0]=3 675 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Cl Z55903470 [0,1,0,0,1,0|1,0,0]=3 676 B12R1.125 O=C(O)CSC1=C(C=CC=C1)F Z55903942 [0,1,0,0,1,0|1,0,0]=3 677 B12R1.125 O=C(O)CSC1=C(C=CC=C1)O Z905204160 [0,1,0,0,1,0|1,0,0]=3 678 B12R1.125 O=C(O)CSC1=[N+](C=CC=C1)[O-] Z55903473 [0,1,0,0,1,0|2,0,0]=4 679 B12R1.226 CC(=O)CCC1=CC(=CC=C1)C Z406376778 [0,1,0,0,1,0|1,0,0]=3 680 B12R1.226 CC(=O)CCC1=CC(=CC=C1)F Z406376716 [0,1,0,0,1,0|1,0,0]=3 681 B12R1.226 CC(=O)NCC1=CC(=CC=C1)Br Z340632658 [0,1,0,0,1,0|2,0,0]=4 682 B12R1.226 CC(=O)NCC1=CC(=CC=C1)F Z340527618 [0,1,0,0,1,0|2,0,0]=4 683 B12R1.226 CC1=CC(=CC=C1)/C=C/C(=O)O Z2942851787 [0,1,0,0,1,0|0,0,2]=4 684 B12R1.226 CC1=CC(=CC=C1)CCC(=O)N Z194976514 [0,1,0,0,1,0|1,0,0]=3 685 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [0,1,0,0,1,0|0,0,0]=2 686 B12R1.226 CC1=CC(=CC=C1)NCC(=O)N Z104589324 [0,1,0,0,1,0|2,0,0]=4 687 B12R1.226 CC1=CC(=CC=C1)OCC(=O)N Z19732960 [0,1,0,0,1,0|2,0,0]=4 688 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O Z56899056 [0,1,0,0,1,0|1,0,0]=3 689 B12R1.226 CC1=CC(=CC=C1)SCC(=O)O Z778642574 [0,1,0,0,1,0|1,0,0]=3 690 B12R1.226 NC(=O)CCC1=CC(=CC=C1)N Z414316850 [0,1,0,0,1,0|1,0,0]=3 691 B12R1.226 NC(=O)CNC1=CC(=CC=C1)Br Z104587998 [0,1,0,0,1,0|2,0,0]=4 692 B12R1.226 NC(=O)CNC1=CC(=CC=C1)F Z104640682 [0,1,0,0,1,0|2,0,0]=4 693 B12R1.226 NC(=O)COC1=CC(=CC=C1)F Z19755608 [0,1,0,0,1,0|2,0,0]=4 694 B12R1.226 NC(=O)COC1=CC(=CC=C1)I Z25076202 [0,1,0,0,1,0|2,0,0]=4 695 B12R1.226 NC(=O)COC1=CC(=CC=C1)N Z235344273 [0,1,0,0,1,0|2,0,0]=4 696 B12R1.226 NC(=O)COC1=CC(=CC=C1)O Z381415558 [0,1,0,0,1,0|2,0,0]=4 697 B12R1.226 NC(=O)NCC1=CC(=CC=C1)F Z362629554 [0,1,0,0,1,0|2,0,0]=4 698 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O Z2942853438 [0,1,0,0,1,0|0,0,2]=4 699 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Br Z2312942093 [0,1,0,0,1,0|0,0,2]=4 700 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Cl Z2573655238 [0,1,0,0,1,0|0,0,2]=4 701 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)F Z2935925467 [0,1,0,0,1,0|0,0,2]=4 702 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)O Z247613734 [0,1,0,0,1,0|0,0,2]=4 703 B12R1.226 O=C(O)C#CC1=CC(=CC=C1)Cl Z1143242523 [0,1,0,0,1,0|0,0,2]=4 704 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [0,1,0,0,1,0|0,0,0]=2 705 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [0,1,0,0,1,0|0,0,0]=2 706 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [0,1,0,0,1,0|0,0,0]=2 707 B12R1.226 O=C(O)CCC1=CC(=CN=C1)F Z1262517660 [0,1,0,0,1,0|1,0,0]=3 708 B12R1.226 O=C(O)CCC1=CC(=CN=C1)O Z1504676734 [0,1,0,0,1,0|1,0,0]=3 709 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl Z274534700 [0,1,0,0,1,0|1,0,0]=3 710 B12R1.226 O=C(O)COC1=CC(=CC=C1)Br Z56812737 [0,1,0,0,1,0|1,0,0]=3 711 B12R1.226 O=C(O)COC1=CC(=CC=C1)Cl Z57008935 [0,1,0,0,1,0|1,0,0]=3 712 B12R1.226 O=C(O)COC1=CC(=CN=C1)Br Z1206892989 [0,1,0,0,1,0|2,0,0]=4 713 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Br Z255149890 [0,1,0,0,1,0|1,0,0]=3 714 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Cl Z994465872 [0,1,0,0,1,0|1,0,0]=3 715 B12R1.226 O=C(O)CSC1=CC(=CC=C1)F Z1198220671 [0,1,0,0,1,0|1,0,0]=3 716 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [0,1,0,0,1,0|1,0,0]=3 717 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 Z513713254 [0,1,0,0,1,0|1,0,1]=4 718 B12R1.891 NS(=O)(=O)CCC1=CC=CC=C1 Z57965898 [0,1,0,0,1,0|1,0,1]=4 719 B12R1.891 O=S(=O)(F)CCC1=CC=CC=C1 Z1258763618 [0,1,0,0,1,0|1,0,1]=4 720 B12R1.54 O=C(O)CCC(=O)C1=CC=CN1 Z1262513633 [0,1,0,0,1,0|1,0,1]=4 721 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 Z56857914 [0,1,0,0,1,0|1,0,1]=4 722 B12R1.105 CC1=CC=C(S1)CCCC(=O)O Z336285944 [0,1,0,0,1,0|1,0,0]=3 723 B12R1.105 CC1=CN(N=C1)CCCC(=O)O Z4878607110 [0,1,0,0,1,0|2,0,0]=4 724 B12R1.105 CC1=CN=C(O1)CCCC(=O)O Z1416179608 [0,1,0,0,1,0|2,0,0]=4 725 B12R1.105 CC1=NC(=CS1)CCCC(=O)O Z1342859238 [0,1,0,0,1,0|2,0,0]=4 726 B12R1.105 CC1=NOC(=C1)CCCC(=O)O Z1416193256 [0,1,0,0,1,0|2,0,0]=4 727 B12R1.105 NC1=NC(=CS1)CCCC(=O)O Z1262529862 [0,1,0,0,1,0|2,0,0]=4 728 B12R1.105 O=C(O)CCCN1C=C(C=N1)Br Z729840314 [0,1,0,0,1,0|2,0,0]=4 729 B12R1.105 O=C(O)CNCC1=CC=C(O1)Cl Z424739068 [0,1,0,0,1,0|2,0,0]=4 730 B12R1.105 O=C(O)CNCC1=CC=C(S1)Cl Z1346385334 [0,1,0,0,1,0|2,0,0]=4 731 B12R1.105 O=C(O)CSCC1=CC=C(S1)Cl Z19691259 [0,1,0,0,1,0|2,0,0]=4 732 B12R1.130 CC1=C(SC=C1)CCCC(=O)O Z837065188 [0,1,0,0,1,0|1,0,0]=3 733 B12R1.130 CC1=C(SC=C1)CNCC(=O)O Z381025964 [0,1,0,0,1,0|2,0,0]=4 734 B12R1.130 CC1=NC=CN1CCCC(=O)O Z285049632 [0,1,0,0,1,0|2,0,0]=4 735 B12R1.264 NC(CCC1=CNN=C1)C(=O)O Z3486116939 [0,1,0,0,1,0|2,0,0]=4 736 B12R1.477 COC(=O)CCCC1=CC=CS1 Z18056150 [0,1,0,0,1,0|1,0,0]=3 737 B12R1.477 COC(=O)CCCN1C=CC=C1 Z1461581449 [0,1,0,0,1,0|1,0,0]=3 738 B12R1.477 O=C(NO)NCCC1=CC=CS1 Z335452622 [0,1,0,0,1,0|2,0,0]=4 739 B14R1.148 CC(=O)NCCCC1=CC(=CC=C1)Cl Z917589792 [0,1,0,0,0,1|1,0,0]=3 740 B14R1.148 CC(=O)OCCCC1=CC(=CC=C1)N Z1262644871 [0,1,0,0,0,1|1,0,0]=3 741 B14R1.148 CC1=CC(=CC=C1)CNCCC(=O)O Z415636682 [0,1,0,0,0,1|0,0,0]=2 742 B14R1.148 CC1=CC(=CC=C1)OCCCC(=O)O Z56887649 [0,1,0,0,0,1|0,0,0]=2 743 B14R1.148 CC1=CC=CC(=C1)CNCCS(=O)C Z1220772882 [0,1,0,0,0,1|2,0,0]=4 744 B14R1.148 CS(=O)CCNCC1=CC(=CC=C1)Cl Z1220772631 [0,1,0,0,0,1|2,0,0]=4 745 B14R1.148 O=C(O)CCCCC1=CC(=CC=C1)O Z1262513974 [0,1,0,0,0,1|0,0,0]=2 746 B14R1.148 O=C(O)CCCOC1=CC(=CC=C1)Br Z56886433 [0,1,0,0,0,1|0,0,0]=2 747 B14R1.148 O=C(O)CCCOC1=CC(=CC=C1)F Z274763238 [0,1,0,0,0,1|0,0,0]=2 748 B14R1.148 O=C(O)CCNCC1=CC(=CC=C1)Cl Z449369192 [0,1,0,0,0,1|0,0,0]=2 749 B14R1.148 O=C(O)CCNCC1=CC(=CC=C1)F Z1695822100 [0,1,0,0,0,1|0,0,0]=2 750 B14R1.159 CC(=O)NCCOC1=C(C=CC=C1)Cl Z56753932 [0,1,0,0,0,1|2,0,0]=4 751 B14R1.159 CC1=C(C=CC=C1)CNCCS(=O)C Z1220773265 [0,1,0,0,0,1|2,0,0]=4 752 B14R1.159 CC1=C(C=CC=C1)OCCCC(=O)N Z278515042 [0,1,0,0,0,1|1,0,0]=3 753 B14R1.159 CC1=C(C=CC=C1)OCCCC(=O)O Z235347059 [0,1,0,0,0,1|0,0,0]=2 754 B14R1.159 NC(=NCCCC1=C(C=CC=C1)Br)N Z2693278441 [0,1,0,0,0,1|2,0,0]=4 755 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)Br Z295439190 [0,1,0,0,0,1|0,0,0]=2 756 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)Cl Z285049454 [0,1,0,0,0,1|0,0,0]=2 757 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)F Z274553234 [0,1,0,0,0,1|0,0,0]=2 758 B14R1.159 O=C(O)CCNCC1=C(C=CC=C1)Cl Z444311542 [0,1,0,0,0,1|0,0,0]=2 759 B14R1.159 O=C(O)CCNCC1=C(C=CC=C1)F Z56974823 [0,1,0,0,0,1|0,0,0]=2 760 B14R1.159 O=C(O)CO/N=C/C1=C(C=CC=C1)Br Z56808161 [0,1,0,0,0,1|1,0,1]=4 761 B14R1.159 O=C(O)CO/N=C/C1=C(C=CC=C1)O Z56774780 [0,1,0,0,0,1|1,0,1]=4 762 B14R1.420 C/C(=N\OCC(=O)O)/C1=CC=CC=C1 Z56808172 [0,1,0,0,0,1|1,0,1]=4 763 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 Z2934530053 [0,1,0,0,0,1|0,0,0]=2 764 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 Z361415342 [0,1,0,0,0,1|0,0,0]=2 765 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 Z56854345 [0,1,0,0,0,1|0,0,1]=3 766 B14R1.420 O=C(O)CCNC(=O)C1=CC=NC=C1 Z228588434 [0,1,0,0,0,1|1,0,1]=4 767 B14R1.420 O=C(O)CSCC(=O)C1=CC=CC=C1 Z275368768 [0,1,0,0,0,1|0,0,1]=3 768 B14R1.420 O=C([O-])CCCC(O)C1=CC=CC=C1 Z2306083864 [0,1,0,0,0,1|0,0,1]=3 769 B14R1.423 CC(CC1=CC=CC=C1)NCC(=O)O Z2235792090 [0,1,0,0,0,1|0,0,0]=2 770 B14R1.423 CN(CCC(=O)O)CC1=NC=CC=C1 Z431976564 [0,1,0,0,0,1|1,0,0]=3 771 B14R1.423 NC(=O)OCC(N)CC1=CC=CC=C1 Z1509064544 [0,1,0,0,0,1|1,0,0]=3 772 B14R1.423 NC(CC1=CC=CC=C1)NCC(=O)O Z57032609 [0,1,0,0,0,1|0,0,0]=2 773 B14R1.423 NC(CCC(=O)O)CC1=CC=CC=C1 Z1642061385 [0,1,0,0,0,1|0,0,0]=2 774 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 Z56176896 [0,1,0,0,0,1|0,0,1]=3 775 B14R1.423 O=C(O)CCC(=O)NC1=CN=CC=C1 Z429593776 [0,1,0,0,0,1|1,0,1]=4 776 B14R1.423 O=C(O)CCC(=O)NC1=NC=CC=C1 Z57103931 [0,1,0,0,0,1|1,0,1]=4 777 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 Z56963417 [0,1,0,0,0,1|0,0,1]=3 778 B14R1.423 O=C(O)CNC(=O)NC1=CC=CC=C1 Z56760696 [0,1,0,0,0,1|1,0,1]=4 779 B14R1.677 CC(=O)NCCSC1=CC=C(C=C1)C Z90769847 [0,1,0,0,0,1|2,0,0]=4 780 B14R1.677 CC1=CC=C(C=C1)CCCCC(=O)O Z361415536 [0,1,0,0,0,1|0,0,0]=2 781 B14R1.677 CC1=CC=C(C=C1)CNCCS(=O)C Z1220772880 [0,1,0,0,0,1|2,0,0]=4 782 B14R1.677 CC1=CC=C(C=C1)OCCCC(=O)O Z56862234 [0,1,0,0,0,1|0,0,0]=2 783 B14R1.677 CC1=CC=C(C=C1)SCCCC(=O)O Z285049588 [0,1,0,0,0,1|0,0,0]=2 784 B14R1.677 CS(=O)CCNCC1=CC=C(C=C1)Cl Z1220772523 [0,1,0,0,0,1|2,0,0]=4 785 B14R1.677 NC(=O)CCCCC1=CC=C(C=C1)F Z1704240604 [0,1,0,0,0,1|1,0,0]=3 786 B14R1.677 NC(=O)CCCOC1=CC=C(C=C1)Br Z33546711 [0,1,0,0,0,1|1,0,0]=3 787 B14R1.677 NC(=O)CCCOC1=CC=C(C=C1)F Z278515040 [0,1,0,0,0,1|1,0,0]=3 788 B14R1.677 NC(=O)CCSCC1=CC=C(C=C1)I Z1276482268 [0,1,0,0,0,1|1,0,0]=3 789 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)Br Z361415666 [0,1,0,0,0,1|0,0,0]=2 790 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)Cl Z361415664 [0,1,0,0,0,1|0,0,0]=2 791 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)F Z361415604 [0,1,0,0,0,1|0,0,0]=2 792 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)I Z361415654 [0,1,0,0,0,1|0,0,0]=2 793 B14R1.677 O=C(O)CCCNC1=CC=C(C=C1)I Z362772186 [0,1,0,0,0,1|0,0,0]=2 794 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Br Z56886468 [0,1,0,0,0,1|0,0,0]=2 795 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Cl Z274553116 [0,1,0,0,0,1|0,0,0]=2 796 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)F Z235347019 [0,1,0,0,0,1|0,0,0]=2 797 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)I Z381427780 [0,1,0,0,0,1|0,0,0]=2 798 B14R1.677 O=C(O)CCCSC1=CC=C(C=C1)Br Z390051396 [0,1,0,0,0,1|0,0,0]=2 799 B14R1.677 O=C(O)CCCSC1=CC=C(C=C1)Cl Z56857874 [0,1,0,0,0,1|0,0,0]=2 800 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)Cl Z444311410 [0,1,0,0,0,1|0,0,0]=2 801 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)F Z444311612 [0,1,0,0,0,1|0,0,0]=2 802 B14R1.677 O=C(O)COCCC1=CC=C(C=C1)Br Z802811836 [0,1,0,0,0,1|0,0,0]=2 803 B14R1.716 C=CC(=O)NCCSC1=CC=CC=C1 Z652690650 [0,1,0,0,0,1|2,0,0]=4 804 B14R1.716 CCC(=O)NCCCC1=CC=CC=C1 Z26437203 [0,1,0,0,0,1|1,0,0]=3 805 B14R1.716 CNC(=O)CCCOC1=CC=CC=C1 Z32016290 [0,1,0,0,0,1|1,0,0]=3 806 B14R1.716 CNC(=O)NCCNC1=CC=CC=C1 Z1334885642 [0,1,0,0,0,1|2,0,0]=4 807 B14R1.716 COC(=O)CCCSC1=CC=CC=C1 Z15777497 [0,1,0,0,0,1|0,0,0]=2 808 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 Z235349199 [0,1,0,0,0,1|0,0,0]=2 809 B14R1.716 COC(=O)CCNCC1=CC=NC=C1 Z53116769 [0,1,0,0,0,1|1,0,0]=3 810 B14R1.716 O=C(CCl)NCCCC1=CC=CC=C1 Z56862411 [0,1,0,0,0,1|1,0,0]=3 811 B14R1.716 O=C(CCl)NCCOC1=CC=CC=C1 Z56755199 [0,1,0,0,0,1|2,0,0]=4 812 B14R1.716 O=C(CCl)NCCSC1=CC=CC=C1 Z90121771 [0,1,0,0,0,1|2,0,0]=4 813 B14R1.818 C/C(=C\C(=O)O)/CCC1=CC=CC=C1 Z352748426 [0,1,0,0,0,1|0,0,1]=3 814 B14R1.818 CC(CC(=O)N)NCC1=CC=CC=C1 Z90503215 [0,1,0,0,0,1|1,0,0]=3 815 B14R1.818 CC(CCC1=CC=CC=C1)CC(=O)O Z352782432 [0,1,0,0,0,1|0,0,0]=2 816 B14R1.818 CN(CCC1=CC=CC=C1)CC(=O)O Z1459897052 [0,1,0,0,0,1|0,0,0]=2 817 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O Z2832013470 [0,1,0,0,0,1|0,0,0]=2 818 B14R1.3331 NS(=O)(=O)CCOCC1=CC=CC=C1 Z1206904541 [0,1,0,0,0,1|1,0,1]=4 819 B14R1.3331 O=P(O)(O)CCCCC1=CC=CC=C1 Z1269108857 [0,1,0,0,0,1|1,0,0]=3 820 B14R1.6449 CC(CCOC1=CC=CC=C1)C(=O)O Z839123502 [0,1,0,0,0,1|0,0,0]=2 821 B14R1.6449 CC(CNCC1=CC=CC=C1)C(=O)O Z1762658341 [0,1,0,0,0,1|0,0,0]=2 822 B14R1.6449 CC(COCC1=CC=CC=C1)C(=O)O Z431541082 [0,1,0,0,0,1|0,0,0]=2 823 B14R1.6449 CC(CSCC1=CC=CC=C1)C(=O)O Z431541728 [0,1,0,0,0,1|0,0,0]=2 824 B14R1.6449 CC(CSCC1=CN=CC=C1)C(=O)O Z1251190240 [0,1,0,0,0,1|1,0,0]=3 825 B14R1.6449 CC(SCCC1=CC=CC=C1)C(=O)N Z1486300646 [0,1,0,0,0,1|1,0,0]=3 826 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O Z1259335833 [0,1,0,0,0,1|0,0,0]=2 827 B14R1.6449 NC(CCSC1=CC=CC=C1)C(=O)O Z1080372958 [0,1,0,0,0,1|0,0,0]=2 828 B14R1.6449 NC(CNCC1=CC=CC=C1)C(=O)O Z1945696031 [0,1,0,0,0,1|0,0,0]=2 829 B14R1.6449 N[C@@H](CCOC1=CC=CC=C1)C(=O)O Z1262524421 [0,1,0,0,0,1|0,0,0]=2 830 B14R1.6449 O=C(O)C(O)CCCC1=CC=CC=C1 Z1262514933 [0,1,0,0,0,1|0,0,0]=2 831 B14R1.149 CC1=CC(=CC=C1)C(=O)NCC(=O)O Z56827661 [0,2,0,0,0,0|1,0,1]=4 832 B14R1.149 C[C@H](NCC(=O)O)C1=CC(=CN=C1)F Z4616782481 [0,2,0,0,0,0|2,0,0]=4 833 B14R1.149 NC(CCC(=O)O)C1=CC(=CC=C1)Cl Z3847932941 [0,2,0,0,0,0|0,0,0]=2 834 B14R1.149 NC1=CC(=CC=C1)C(=O)CCC(=O)O Z1251352838 [0,2,0,0,0,0|0,0,1]=3 835 B14R1.149 O=C(O)CCC(=O)C1=CC(=CC=C1)Br Z838955790 [0,2,0,0,0,0|0,0,1]=3 836 B14R1.149 O=C(O)CCC(=O)C1=CC(=CC=C1)Cl Z838955714 [0,2,0,0,0,0|0,0,1]=3 837 B14R1.149 O=C(O)CCC(=O)C1=CC(=CC=C1)F Z838955774 [0,2,0,0,0,0|0,0,1]=3 838 B14R1.149 O=C(O)CNC(=O)C1=CC(=CC=C1)Br Z55928783 [0,2,0,0,0,0|1,0,1]=4 839 B14R1.149 O=C(O)CNC(=O)C1=CC(=CC=C1)Cl Z56827660 [0,2,0,0,0,0|1,0,1]=4 840 B14R1.149 O=C(O)CNC(=O)C1=CC(=CC=C1)F Z56881200 [0,2,0,0,0,0|1,0,1]=4 841 B14R1.149 O=C(O)CNC(=O)C1=CC(=CC=C1)O Z239129930 [0,2,0,0,0,0|1,0,1]=4 842 B14R1.160 CC1=C(C=CC=C1)C(=O)NCC(=O)O Z56983120 [0,2,0,0,0,0|1,0,1]=4 843 B14R1.160 NC1=C(C=CC=C1)C(=O)CCC(=O)O Z4561593840 [0,2,0,0,0,0|0,0,1]=3 844 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)Br Z838955710 [0,2,0,0,0,0|0,0,1]=3 845 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)Br Z56945486 [0,2,0,0,0,0|1,0,1]=4 846 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)Cl Z56827160 [0,2,0,0,0,0|1,0,1]=4 847 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)F Z56822248 [0,2,0,0,0,0|1,0,1]=4 848 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)I Z85887266 [0,2,0,0,0,0|1,0,1]=4 849 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)O Z3478749045 [0,2,0,0,0,0|1,0,1]=4 850 B14R1.163 C=CC(=O)NC[C@@H](C)C1=CC=CC=C1 Z4075607451 [0,2,0,0,0,0|2,0,0]=4 851 B14R1.163 C=CC(=O)NC[C@@H](O)C1=CC=CC=C1 Z3766093214 [0,2,0,0,0,0|2,0,0]=4 852 B14R1.163 C=CC(=O)NC[C@H](C)C1=CC=CC=C1 Z4379714290 [0,2,0,0,0,0|2,0,0]=4 853 B14R1.163 CC(CNC(=O)CCl)C1=CC=CC=C1 Z57036272 [0,2,0,0,0,0|2,0,0]=4 854 B14R1.163 CC(NCC(=O)NN)C1=CC=CC=C1 Z56900912 [0,2,0,0,0,0|2,0,0]=4 855 B14R1.163 COC(=O)CCC(N)C1=CC=CC=C1 Z1263820354 [0,2,0,0,0,0|0,0,0]=2 856 B14R1.415 CC(CC(N)C(=O)O)C1=CC=CC=C1 Z3018664835 [0,2,0,0,0,0|0,0,0]=2 857 B14R1.415 CC(NC(=O)C(=O)O)C1=CC=CC=C1 Z424779000 [0,2,0,0,0,0|1,0,1]=4 858 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O Z57229049 [0,2,0,0,0,0|1,0,1]=4 859 B14R1.415 CC(NC(C)C1=CC=CC=C1)C(=O)O Z1762658315 [0,2,0,0,0,0|1,0,0]=3 860 B14R1.415 CN(CC(N)C(=O)O)C1=CC=CC=C1 Z854090074 [0,2,0,0,0,0|1,0,0]=3 861 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O Z56889031 [0,2,0,0,0,0|1,0,1]=4 862 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O Z1459947400 [0,2,0,0,0,0|0,0,1]=3 863 B14R1.417 CC(C1=CN=CC=C1)N(C)CC(=O)O Z1258625110 [0,2,0,0,0,0|2,0,0]=4 864 B14R1.417 CN(CC(=O)O)C(=O)C1=CC=CC=C1 Z85895238 [0,2,0,0,0,0|1,0,1]=4 865 B14R1.417 O=C(O)CC(Br)C(=O)C1=CC=CC=C1 Z56886358 [0,2,0,0,0,0|0,0,1]=3 866 B14R1.678 CC1=CC=C(C=C1)C(=O)CCC(=O)O Z56899081 [0,2,0,0,0,0|0,0,1]=3 867 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(=O)O Z56899118 [0,2,0,0,0,0|1,0,1]=4 868 B14R1.678 NC(CCC(=O)O)C1=CC=C(C=C1)Br Z2856158774 [0,2,0,0,0,0|0,0,0]=2 869 B14R1.678 NC1=CC=C(C=C1)C(=O)CCC(=O)O Z1255439771 [0,2,0,0,0,0|0,0,1]=3 870 B14R1.678 NC1=CC=C(C=C1)C(=O)NCC(=O)O Z104484866 [0,2,0,0,0,0|1,0,1]=4 871 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)Br Z56860296 [0,2,0,0,0,0|0,0,1]=3 872 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)Cl Z56860292 [0,2,0,0,0,0|0,0,1]=3 873 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)F Z57984615 [0,2,0,0,0,0|0,0,1]=3 874 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)I Z56899021 [0,2,0,0,0,0|0,0,1]=3 875 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)O Z1255458188 [0,2,0,0,0,0|0,0,1]=3 876 B14R1.678 O=C(O)CCC(=O)C1=NC=C(C=C1)Cl Z1392165814 [0,2,0,0,0,0|1,0,1]=4 877 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Br Z56827662 [0,2,0,0,0,0|1,0,1]=4 878 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Cl Z56840113 [0,2,0,0,0,0|1,0,1]=4 879 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)F Z56896220 [0,2,0,0,0,0|1,0,1]=4 880 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)O Z285193230 [0,2,0,0,0,0|1,0,1]=4 881 B14R1.813 CC(C)(CCC(=O)O)C1=CC=CC=C1 Z836527416 [0,2,0,0,0,0|0,0,0]=2 882 B14R1.813 NC(=O)CCS(=O)(=O)C1=CC=CC=C1 Z33546342 [0,2,0,0,0,0|2,0,0]=4 883 B14R1.813 NC(=O)NCC(F)(F)C1=CC=CC=C1 Z1828046242 [0,2,0,0,0,0|2,0,0]=4 884 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 Z56871817 [0,2,0,0,0,0|1,0,0]=3 885 B14R1.813 O=C(O)CNS(=O)(=O)C1=CC=CC=C1 Z45658533 [0,2,0,0,0,0|2,0,0]=4 886 B14R1.76 COC1=CC(=CC=C1)COCC(=O)O Z317026574 [0,2,0,0,0,0|1,0,0]=3 887 B14R1.76 COC1=CC(=CC=C1)NCCC(=O)O Z359506442 [0,2,0,0,0,0|1,0,0]=3 888 B14R1.76 COC1=CC(=CC=C1)OCCC(=O)O Z57772229 [0,2,0,0,0,0|1,0,0]=3 889 B14R1.76 COC1=NC=CC(=C1)COCC(=O)O Z2680630293 [0,2,0,0,0,0|2,0,0]=4 890 B14R1.76 N#CC1=CC=CC(=C1)CNCC(=O)O Z1318147497 [0,2,0,0,0,0|1,0,0]=3 891 B14R1.76 N#CC1=CC=CC(=C1)SCCC(=O)N Z1415976038 [0,2,0,0,0,0|2,0,0]=4 892 B14R1.76 O=CC1=CC=CC(=C1)OCCC(=O)O Z400426412 [0,2,0,0,0,0|1,0,0]=3 893 B14R1.154 CC1=C(C(=CC=C1)OCCC(=O)O)C Z240085136 [0,2,0,0,0,0|1,0,0]=3 894 B14R1.154 CC1=C(C=CC=C1Br)CCNC(=O)N Z2982266354 [0,2,0,0,0,0|2,0,0]=4 895 B14R1.154 O=C(O)CCOC1=C(C(=CC=C1)Cl)Cl Z317258782 [0,2,0,0,0,0|1,0,0]=3 896 B14R1.687 CC(=O)NCCC1=CC(=C(C=C1)O)O Z68159731 [0,2,0,0,0,0|2,0,0]=4 897 B14R1.687 CC1=C(C=C(C=C1)CCCC(=O)O)C Z367662128 [0,2,0,0,0,0|0,0,0]=2 898 B14R1.687 CC1=C(C=C(C=C1)NCCC(=O)O)Cl Z359505722 [0,2,0,0,0,0|1,0,0]=3 899 B14R1.687 CC1=C(C=C(C=C1)OCCC(=O)N)C Z262454044 [0,2,0,0,0,0|2,0,0]=4 900 B14R1.687 CC1=C(C=C(C=C1)OCCC(=O)O)C Z240085168 [0,2,0,0,0,0|1,0,0]=3 901 B14R1.687 CC1=C(C=C(C=C1)SCCC(=O)O)C Z57981106 [0,2,0,0,0,0|1,0,0]=3 902 B14R1.687 O=C(O)CCCC1=CC(=C(C=C1)Cl)Cl Z389928002 [0,2,0,0,0,0|0,0,0]=2 903 B14R1.687 O=C(O)CCCC1=CC(=C(C=C1)F)F Z336286022 [0,2,0,0,0,0|0,0,0]=2 904 B14R1.687 O=C(O)CCOC1=CC(=C(C=C1)Cl)Cl Z206412696 [0,2,0,0,0,0|1,0,0]=3 905 B14R1.687 O=C(O)CCOC1=CC(=C(C=C1)F)Cl Z210548238 [0,2,0,0,0,0|1,0,0]=3 906 B14R1.687 O=C(O)CCSC1=CC(=C(C=C1)F)F Z99598954 [0,2,0,0,0,0|1,0,0]=3 907 B14R1.687 O=C(O)CSCC1=CC(=C(C=C1)Cl)Cl Z19691711 [0,2,0,0,0,0|1,0,0]=3 908 B14R1.1025 C=CC(=O)NCCC1=CC=CC(=C1)Cl Z440634566 [0,2,0,0,0,0|2,0,0]=4 909 B14R1.1025 CC1=CC(=CC=C1)OCCC(=O)NO Z59182358 [0,2,0,0,0,0|1,0,0]=3 910 B14R1.1025 CNC(=O)CSCC1=CC(=CC=C1)Cl Z30272061 [0,2,0,0,0,0|2,0,0]=4 911 B14R1.1025 CNC(=O)CSCC1=CC(=CC=C1)F Z45328586 [0,2,0,0,0,0|2,0,0]=4 912 B14R1.1025 COC(=O)CCNC1=CC(=CC=C1)F Z405066052 [0,2,0,0,0,0|1,0,0]=3 913 B14R1.1025 COC(=O)CNCC1=CC(=CC=C1)Br Z1821397914 [0,2,0,0,0,0|1,0,0]=3 914 B14R1.1025 COC(=O)CNCC1=CC(=CC=C1)F Z763367856 [0,2,0,0,0,0|1,0,0]=3 915 B14R1.1025 COC(=O)CSCC1=CC(=CC=C1)N Z440804652 [0,2,0,0,0,0|1,0,0]=3 916 B14R1.1025 O=C(CCl)NCCC1=CC(=CC=C1)Cl Z147651710 [0,2,0,0,0,0|2,0,0]=4 917 B14R1.4250 CC(=O)NCCC1=CC(=CC(=C1)Cl)Cl Z872252302 [0,2,0,0,0,0|2,0,0]=4 918 B14R1.4250 CC1=CC(=CC(=C1)NCCC(=O)O)C Z56921807 [0,2,0,0,0,0|1,0,0]=3 919 B14R1.4250 CC1=CC(=CC(=C1)OCCC(=O)O)C Z240085170 [0,2,0,0,0,0|1,0,0]=3 920 B14R1.4250 O=C(O)CCNC1=CC(=CC(=C1)Cl)Cl Z359506052 [0,2,0,0,0,0|1,0,0]=3 921 B14R1.4250 O=C(O)CCOC1=CC(=CC(=C1)Cl)Cl Z441805208 [0,2,0,0,0,0|1,0,0]=3 922 B14R1.4250 O=C(O)CCOC1=CC(=CC(=C1)F)F Z1013753098 [0,2,0,0,0,0|1,0,0]=3 923 B14R1.5956 C=C(COC1=CC(=CC=C1)Br)C(=O)O Z1197868056 [0,2,0,0,0,0|1,0,1]=4 924 B14R1.5956 C=C(COC1=CC(=CC=C1)Cl)C(=O)O Z1197868060 [0,2,0,0,0,0|1,0,1]=4 925 B14R1.5956 CC(CCC1=CC(=CC=C1)F)C(=O)O Z1259341391 [0,2,0,0,0,0|0,0,0]=2 926 B14R1.5956 CC(NCC1=CC(=CC=C1)F)C(=O)O Z426041634 [0,2,0,0,0,0|1,0,0]=3 927 B14R1.5956 CC(SCC1=CC(=CC=C1)Cl)C(=O)N Z742590214 [0,2,0,0,0,0|2,0,0]=4 928 B14R1.5978 CC(=O)NC(C)CC1=CC(=CC=C1)Br Z844206202 [0,2,0,0,0,0|2,0,0]=4 929 B14R1.5978 CC(CC(=O)O)CC1=CC(=CC=C1)F Z1295543728 [0,2,0,0,0,0|0,0,0]=2 930 B14R1.5978 CN(CC(=O)N)CC1=CC(=CC=C1)Cl Z54506183 [0,2,0,0,0,0|2,0,0]=4 931 B14R1.5978 CN(CC(=O)N)CC1=CC(=CC=C1)F Z54758298 [0,2,0,0,0,0|2,0,0]=4 932 B14R1.5978 CN(CC(=O)O)CC1=CC(=CC=C1)Cl Z1459897420 [0,2,0,0,0,0|1,0,0]=3 933 B14R1.6072 CC1=CC(=C(C=C1)C)CSCC(=O)N Z45363577 [0,2,0,0,0,0|2,0,0]=4 934 B14R1.6072 CC1=CC(=C(C=C1)C)OCCC(=O)O Z56889404 [0,2,0,0,0,0|1,0,0]=3 935 B14R1.6072 CC1=CC(=C(C=C1)N)SCCC(=O)O Z1675167240 [0,2,0,0,0,0|1,0,0]=3 936 B14R1.6072 O=C(O)CCCC1=C(C=CC(=C1)F)F Z336285978 [0,2,0,0,0,0|0,0,0]=2 937 B14R1.6072 O=C(O)CCOC1=C(C=CC(=C1)Cl)Cl Z223959282 [0,2,0,0,0,0|1,0,0]=3 938 B14R1.6072 O=C(O)CCOC1=C(C=CC(=C1)F)F Z1117890484 [0,2,0,0,0,0|1,0,0]=3 939 B14R1.6072 O=C(O)CCSC1=C(C=CC(=C1)F)F Z103335878 [0,2,0,0,0,0|1,0,0]=3 940 B14R1.96 CCC1=C(C=CC=C1)OCCC(=O)O Z398366562 [0,2,0,0,0,0|1,0,0]=3 941 B14R1.96 COC1=C(C=CC=C1)CCNC(=O)C Z28902648 [0,2,0,0,0,0|2,0,0]=4 942 B14R1.96 COC1=C(C=CC=C1)NCCC(=O)N Z33547240 [0,2,0,0,0,0|2,0,0]=4 943 B14R1.96 COC1=C(C=CC=C1)NCCC(=O)O Z56813547 [0,2,0,0,0,0|1,0,0]=3 944 B14R1.96 COC1=C(C=CC=C1)OCCC(=O)O Z56843581 [0,2,0,0,0,0|1,0,0]=3 945 B14R1.96 COC1=C(C=CC=C1)SCCC(=O)N Z852768936 [0,2,0,0,0,0|2,0,0]=4 946 B14R1.96 COC1=C(C=CC=N1)CNCC(=O)O Z594771492 [0,2,0,0,0,0|2,0,0]=4 947 B14R1.96 O=CC1=C(C=CC=C1)OCCC(=O)O Z954894366 [0,2,0,0,0,0|1,0,0]=3 948 B14R1.161 C=C(COC1=C(C=CC=C1)I)C(=O)O Z1197868436 [0,2,0,0,0,0|1,0,1]=4 949 B14R1.161 CC(CCC1=C(C=CC=C1)F)C(=O)O Z1218936074 [0,2,0,0,0,0|0,0,0]=2 950 B14R1.161 CC(NCC1=C(C=CC=C1)Cl)C(=O)O Z432066860 [0,2,0,0,0,0|1,0,0]=3 951 B14R1.161 CC1=C(C=CC=C1)CNC(C)C(=O)O Z425414584 [0,2,0,0,0,0|1,0,0]=3 952 B14R1.161 CC1=C(C=CC=C1)COC(C)C(=O)O Z1714302638 [0,2,0,0,0,0|1,0,0]=3 953 B14R1.337 CN(CC(=O)N)CC1=C(C=CC=C1)Br Z54757426 [0,2,0,0,0,0|2,0,0]=4 954 B14R1.337 CN(CC(=O)N)CC1=C(C=CC=C1)F Z54757840 [0,2,0,0,0,0|2,0,0]=4 955 B14R1.337 CN(CC(=O)O)CC1=C(C=CC=C1)Cl Z1459900399 [0,2,0,0,0,0|1,0,0]=3 956 B14R1.337 O=C(O)CC(=O)NC1=C(C=CC=C1)O Z1262513035 [0,2,0,0,0,0|1,0,1]=4 957 B14R1.837 CC1=C(C=CC=C1)CCNC(=O)CCl Z147651708 [0,2,0,0,0,0|2,0,0]=4 958 B14R1.837 CCC(=O)NCCC1=C(C=CC=C1)Br Z952021256 [0,2,0,0,0,0|2,0,0]=4 959 B14R1.837 CCC(=O)NCCC1=C(C=CC=C1)C Z52314166 [0,2,0,0,0,0|2,0,0]=4 960 B14R1.837 CCS(=O)CCCC1=C(C=CC=C1)Br Z1650808728 [0,2,0,0,0,0|2,0,0]=4 961 B14R1.837 CNC(=O)CCSC1=C(C=CC=C1)Br Z422500438 [0,2,0,0,0,0|2,0,0]=4 962 B14R1.837 CNC(=O)CCSC1=C(C=CC=C1)F Z166967068 [0,2,0,0,0,0|2,0,0]=4 963 B14R1.837 CNC(=O)CSCC1=C(C=CC=C1)C Z17108234 [0,2,0,0,0,0|2,0,0]=4 964 B14R1.837 CNC(=O)NCCC1=C(C=CC=C1)Br Z951220610 [0,2,0,0,0,0|2,0,0]=4 965 B14R1.837 COC(=O)CCNC1=C(C=CC=C1)C Z405066482 [0,2,0,0,0,0|1,0,0]=3 966 B14R1.837 COC(=O)CCSC1=C(C=CC=N1)N Z440803790 [0,2,0,0,0,0|2,0,0]=4 967 B14R1.837 COC(=O)CNCC1=C(C=CC=C1)C Z803145372 [0,2,0,0,0,0|1,0,0]=3 968 B14R1.837 COC(=O)CNCC1=C(C=CC=C1)Cl Z594272018 [0,2,0,0,0,0|1,0,0]=3 969 B14R1.837 O=C(CCl)NCCC1=C(C=CC=C1)F Z147651850 [0,2,0,0,0,0|2,0,0]=4 970 B14R1.4464 CC1=CC(=C(C=C1)OCCC(=O)O)Br Z335299658 [0,2,0,0,0,0|1,0,0]=3 971 B14R1.4464 CC1=CC(=C(C=C1)OCCC(=O)O)C Z240085122 [0,2,0,0,0,0|1,0,0]=3 972 B14R1.4464 CC1=CC(=C(C=C1)OCCC(=O)O)Cl Z995007918 [0,2,0,0,0,0|1,0,0]=3 973 B14R1.4464 O=C(O)CCOC1=C(C=C(C=C1)Br)F Z207133164 [0,2,0,0,0,0|1,0,0]=3 974 B14R1.4464 O=C(O)CCOC1=C(C=C(C=C1)Cl)Br Z225358632 [0,2,0,0,0,0|1,0,0]=3 975 B14R1.4464 O=C(O)CCOC1=C(C=C(C=C1)Cl)Cl Z224636418 [0,2,0,0,0,0|1,0,0]=3 976 B14R1.4464 O=C(O)CCOC1=C(C=C(C=C1)F)Cl Z206372752 [0,2,0,0,0,0|1,0,0]=3 977 B14R1.4464 O=C(O)CCOC1=C(C=C(C=C1)F)F Z240085248 [0,2,0,0,0,0|1,0,0]=3 978 B14R1.4464 O=C(O)CSCC1=C(C=C(C=C1)Br)F Z19691244 [0,2,0,0,0,0|1,0,0]=3 979 B14R1.4464 O=C(O)CSCC1=C(C=C(C=C1)Cl)Cl Z19691785 [0,2,0,0,0,0|1,0,0]=3 980 B14R1.4920 CC(=O)NCCC1=C(C=CC=C1F)Cl Z1420638263 [0,2,0,0,0,0|2,0,0]=4 981 B14R1.4920 CC1=CC=CC(=C1OCCC(=O)O)C Z240085224 [0,2,0,0,0,0|1,0,0]=3 982 B14R1.4920 O=C(O)CCCC1=C(C=CC=C1F)F Z1209411169 [0,2,0,0,0,0|0,0,0]=2 983 B14R1.4920 O=C(O)CCOC1=C(C=CC=C1F)Cl Z1566047453 [0,2,0,0,0,0|1,0,0]=3 984 B14R1.4920 O=C(O)CNCC1=C(C=CC=C1F)Cl Z363999392 [0,2,0,0,0,0|1,0,0]=3 985 B14R1.425 CC(C(=O)O)N(C)CC1=CC=CC=C1 Z359351934 [0,2,0,0,0,0|1,0,0]=3 986 B14R1.425 C[C@@H](C(=O)O)N(C)CC1=CC=CC=C1 Z1198157192 [0,2,0,0,0,0|1,0,0]=3 987 B14R1.425 NC(=O)C(O)C(N)CC1=CC=CC=C1 Z2694742647 [0,2,0,0,0,0|1,0,0]=3 988 B14R1.425 NC(C(=O)O)C(O)CC1=CC=CC=C1 Z1262524640 [0,2,0,0,0,0|0,0,0]=2 989 B14R1.549 CCC(CC(=O)O)CC1=CC=CC=C1 Z1262513310 [0,2,0,0,0,0|0,0,0]=2 990 B14R1.549 CCC(CC1=CC=CC=C1)NC(=O)N Z1088508442 [0,2,0,0,0,0|2,0,0]=4 991 B14R1.698 CC(=O)NC(C)CC1=CC=C(C=C1)Br Z423118124 [0,2,0,0,0,0|2,0,0]=4 992 B14R1.698 CC(CC(=O)O)CC1=CC=C(C=C1)Cl Z1269212618 [0,2,0,0,0,0|0,0,0]=2 993 B14R1.698 CC1=CC=C(C=C1)CN(C)CC(=O)O Z1459900471 [0,2,0,0,0,0|1,0,0]=3 994 B14R1.698 CN(CC(=O)N)CC1=CC=C(C=C1)Br Z54998150 [0,2,0,0,0,0|2,0,0]=4 995 B14R1.698 CN(CC(=O)N)CC1=CC=C(C=C1)F Z54508743 [0,2,0,0,0,0|2,0,0]=4 996 B14R1.743 COC(=O)NC(C)CC1=CC=CC=C1 Z1509182330 [0,2,0,0,0,0|1,0,0]=3 997 B14R1.1485 CC(C)(CC(=O)O)CC1=CC=CC=C1 Z1251359785 [0,2,0,0,0,0|0,0,0]=2 998 B14R1.1485 O=C(O)CS(=O)(=O)CC1=CC=NC=C1 Z295402408 [0,2,0,0,0,0|2,0,0]=4 999 B14R1.1485 O=C(O)CS(=O)(=O)CC1=CN=CC=C1 Z1170245064 [0,2,0,0,0,0|2,0,0]=4 1000 B14R1.1485 O=C(O)CS(=O)(=O)CC1=NC=CC=C1 Z406679912 [0,2,0,0,0,0|2,0,0]=4 1001 B14R1.679 C=C(COC1=CC=C(C=C1)Br)C(=O)O Z1197868030 [0,2,0,0,0,0|1,0,1]=4 1002 B14R1.679 C=C(COC1=CC=C(C=C1)C)C(=O)O Z1197868140 [0,2,0,0,0,0|1,0,1]=4 1003 B14R1.679 CC(CSC1=CC=C(C=C1)F)C(=O)O Z431541816 [0,2,0,0,0,0|1,0,0]=3 1004 B14R1.679 CC(NCC1=CC=C(C=C1)F)C(=O)O Z363997798 [0,2,0,0,0,0|1,0,0]=3 1005 B14R1.679 CC(OCC1=CC=C(C=C1)F)C(=O)O Z1262558351 [0,2,0,0,0,0|1,0,0]=3 1006 B14R1.679 CC(SCC1=CC=C(C=C1)Br)C(=O)O Z18753942 [0,2,0,0,0,0|1,0,0]=3 1007 B14R1.679 CC(SCC1=CC=C(C=C1)Cl)C(=O)N Z18432807 [0,2,0,0,0,0|2,0,0]=4 1008 B14R1.679 CC(SCC1=CC=C(C=C1)I)C(=O)N Z1276481977 [0,2,0,0,0,0|2,0,0]=4 1009 B14R1.679 CC1=CC=C(C=C1)COC(C)C(=O)O Z1714301562 [0,2,0,0,0,0|1,0,0]=3 1010 B14R1.679 NC(CCC1=CC=C(C=C1)Br)C(=O)O Z4310725393 [0,2,0,0,0,0|0,0,0]=2 1011 B14R1.679 NC1=CC=C(C=C1)SCC(N)C(=O)O Z1263568367 [0,2,0,0,0,0|1,0,0]=3 1012 B14R1.679 O=C(O)C(=O)NCC1=CC=C(C=C1)F Z424779476 [0,2,0,0,0,0|1,0,1]=4 1013 B14R1.756 C=CC(=O)N(C)CCC1=CC=CC=C1 Z608673602 [0,2,0,0,0,0|2,0,0]=4 1014 B14R1.756 CCC(=O)N(C)CCC1=CC=CC=C1 Z337942230 [0,2,0,0,0,0|2,0,0]=4 1015 B14R1.756 COC(=O)C(C)NCC1=CC=CC=C1 Z727800518 [0,2,0,0,0,0|1,0,0]=3 1016 B14R1.756 COC(=O)C(C)SCC1=NC=CC=C1 Z1742663909 [0,2,0,0,0,0|2,0,0]=4 1017 B14R1.4194 N#CC(CCC1=CC=CC=C1)C(=O)[O-] Z1881599031 [0,2,0,0,0,0|0,0,1]=3 1018 B14R1.6395 CC(N)(CCC1=CC=CC=C1)C(=O)O Z594271932 [0,2,0,0,0,0|0,0,0]=2 1019 B14R1.6395 CC(N)(COC1=CC=CC=C1)C(=O)N Z898430760 [0,2,0,0,0,0|2,0,0]=4 1020 B14R1.6395 CC(O)(CCC1=CC=CC=C1)C(=O)O Z788000488 [0,2,0,0,0,0|0,0,0]=2 1021 B14R1.6395 O=C(O)C(F)(F)/C=C/C1=CC=CC=C1 Z1262527962 [0,2,0,0,0,0|0,0,2]=4 1022 B14R1.4 CCC1=CC=C(C=C1)CCCC(=O)O Z336286030 [0,2,0,0,0,0|0,0,0]=2 1023 B14R1.4 COC1=CC=C(C=C1)CCCC(=O)N Z952139986 [0,2,0,0,0,0|1,0,0]=3 1024 B14R1.4 COC1=CC=C(C=C1)CCCC(=O)O Z57181981 [0,2,0,0,0,0|0,0,0]=2 1025 B14R1.4 COC1=CC=C(C=C1)NCCC(=O)N Z68591083 [0,2,0,0,0,0|2,0,0]=4 1026 B14R1.4 COC1=CC=C(C=C1)NCCC(=O)O Z56921145 [0,2,0,0,0,0|1,0,0]=3 1027 B14R1.4 COC1=CC=C(C=C1)OCCC(=O)O Z56869407 [0,2,0,0,0,0|1,0,0]=3 1028 B14R1.4 COC1=CC=C(C=C1)SCCC(=O)O Z103338270 [0,2,0,0,0,0|1,0,0]=3 1029 B14R1.4 COC1=NC=C(C=C1)COCC(=O)O Z2680630295 [0,2,0,0,0,0|2,0,0]=4 1030 B14R1.4 CSC1=CC=C(C=C1)CCCC(=O)O Z1486018522 [0,2,0,0,0,0|0,0,0]=2 1031 B14R1.4 N#CC1=CC=C(C=C1)CCCC(=O)O Z1209404055 [0,2,0,0,0,0|0,0,0]=2 1032 B14R1.4 N#CC1=CC=C(C=C1)CSCC(=O)O Z19691773 [0,2,0,0,0,0|1,0,0]=3 1033 B14R1.4 N#CC1=CC=C(C=C1)SCCC(=O)O Z331871152 [0,2,0,0,0,0|1,0,0]=3 1034 B14R1.4 NCC1=CC=C(C=C1)CCCC(=O)O Z3015418197 [0,2,0,0,0,0|0,0,0]=2 1035 B14R1.4 O=CC1=CC=C(C=C1)OCCC(=O)O Z400426276 [0,2,0,0,0,0|1,0,0]=3 1036 B14R1.13 CC1=CC=C(C=C1)SCCC(=O)NN Z56347053 [0,2,0,0,0,0|2,0,0]=4 1037 B14R1.13 CNC(=O)CCOC1=CC=C(C=C1)F Z339447268 [0,2,0,0,0,0|2,0,0]=4 1038 B14R1.13 CNC(=O)CCOC1=CC=C(C=C1)N Z756172208 [0,2,0,0,0,0|2,0,0]=4 1039 B14R1.13 CNC(=O)CCSC1=CC=C(C=C1)F Z32015514 [0,2,0,0,0,0|2,0,0]=4 1040 B14R1.13 CNC(=O)CSCC1=CC=C(C=C1)I Z1276482021 [0,2,0,0,0,0|2,0,0]=4 1041 B14R1.13 CNC(=O)NCCC1=CC=C(C=C1)F Z177091216 [0,2,0,0,0,0|2,0,0]=4 1042 B14R1.13 COC(=O)CCNC1=CC=C(C=C1)C Z53849263 [0,2,0,0,0,0|1,0,0]=3 1043 B14R1.13 COC(=O)CCOC1=CC=C(C=C1)N Z730514392 [0,2,0,0,0,0|1,0,0]=3 1044 B14R1.13 COC(=O)CNCC1=CC=C(C=C1)Br Z138464920 [0,2,0,0,0,0|1,0,0]=3 1045 B14R1.13 COC(=O)CNCC1=CC=C(C=C1)Cl Z445129504 [0,2,0,0,0,0|1,0,0]=3 1046 B14R1.13 NNC(=O)CCSC1=CC=C(C=C1)F Z58983393 [0,2,0,0,0,0|2,0,0]=4 1047 B14R1.13 O=C(CCl)NCCC1=CC=C(C=C1)Cl Z56891264 [0,2,0,0,0,0|2,0,0]=4 1048 B14R1.13 O=C(CCl)NCCC1=CC=C(C=C1)F Z56822826 [0,2,0,0,0,0|2,0,0]=4 1049 B14R1.520 CCCC(=O)NCCC1=CC=CC=C1 Z27761591 [0,2,0,0,0,0|2,0,0]=4 1050 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 Z266079588 [0,2,0,0,0,0|1,0,0]=3 1051 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 Z292402590 [0,2,0,0,0,0|1,0,0]=3 1052 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 Z31486161 [0,2,0,0,0,0|1,0,0]=3 1053 B14R1.520 COCC(=O)NCCC1=CC=CC=C1 Z31486570 [0,2,0,0,0,0|1,0,0]=3 1054 B14R1.520 COCC(=O)NCCC1=CN=CC=C1 Z296586802 [0,2,0,0,0,0|2,0,0]=4 1055 B14R1.520 COCC(=O)NCCC1=NC=CC=C1 Z32446394 [0,2,0,0,0,0|2,0,0]=4 1056 B14R1.520 COCC(=O)NOCC1=CC=CC=C1 Z101951560 [0,2,0,0,0,0|2,0,0]=4 1057 B14R1.520 CONC(=O)NCCC1=CC=CC=C1 Z332501710 [0,2,0,0,0,0|1,0,0]=3 1058 B14R1.520 CSCC(=O)NCCC1=CC=CC=C1 Z27760862 [0,2,0,0,0,0|1,1,0]=4 1059 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 Z56820394 [0,2,0,0,0,0|2,0,0]=4 1060 B14R1.520 O=C(CCCl)NCCC1=CC=CC=C1 Z240089880 [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.81 O=CC1=CC=CN1CCC(=O)O Z1198167178 [0,0,1,1,0,0|2,0,0]=4 1062 B12R2.1 CNC1CCC2=C1C=CC=C2 Z239628830 [1,0,0,1,0,0|2,0,0]=4 1063 B12R2.1 N#CC1CCC2=C1C=CC=C2 Z415654704 [1,0,0,1,0,0|1,0,1]=4 1064 B12R2.1 NCC1CCC2=C1C=CC=C2 Z415654944 [1,0,0,1,0,0|1,0,1]=4 1065 B12R2.1 O=CC1CCC2=C1C=CC=C2 Z1070003774 [1,0,0,1,0,0|0,0,0]=2 1066 B12R2.1 O=NN1CCC2=C1C=CC=C2 Z1198156346 [1,0,0,1,0,0|2,0,0]=4 1067 B12R2.1 OCC1CCC2=C1C=CC=C2 Z1148209594 [1,0,0,1,0,0|0,0,1]=3 1068 B12R2.1 OCC1CNC2=C1C=CC=C2 Z2213893407 [1,0,0,1,0,0|1,0,1]=4 1069 B12R2.1 OCC1CSC2=C1C=CC=C2 Z1316761281 [1,0,0,1,0,0|1,0,1]=4 1070 B12R2.2 C1=CC=C(C=C1)C2CCCN2 Z223138744 [1,0,0,1,0,0|1,0,1]=4 1071 B12R2.2 C1=CC=C(C=C1)C2CCNC2 Z926900322 [1,0,0,1,0,0|2,0,0]=4 1072 B12R2.23 NC1CCC1C2=CC=CC=C2 Z1203589614 [1,0,0,1,0,0|1,0,1]=4 1073 B12R2.23 N[C@@H]1CC[C@@H]1C2=CC=CC=C2 Z2489138864 [1,0,0,1,0,0|1,0,1]=4 1074 B12R2.23 O=C1CCN1C2=CC=CC=C2 Z1198221109 [1,0,0,1,0,0|1,0,0]=3 1075 B12R2.27 CNC1CC1C2=CC=CC=C2 Z1443588579 [1,0,0,1,0,0|2,0,0]=4 1076 B12R2.27 CN[C@@H]1C[C@H]1C2=CC=CC=C2 Z3024312938 [1,0,0,1,0,0|2,0,0]=4 1077 B12R2.27 N#C[C@@H]1C[C@H]1C2=CC=CC=C2 Z1198147613 [1,0,0,1,0,0|1,0,1]=4 1078 B12R2.27 NCC1CC1C2=CC=CC=C2 Z1276751392 [1,0,0,1,0,0|1,0,1]=4 1079 B12R2.27 O=C[C@@H]1C[C@H]1C2=CC=CC=C2 Z2298064271 [1,0,0,1,0,0|0,0,0]=2 1080 B12R2.27 OCC1OC1C2=CC=CC=C2 Z1509054538 [1,0,0,1,0,0|1,0,1]=4 1081 B12R2.41 C1=CC2=C(C=C1)CNCCC2 Z1079126054 [1,0,0,1,0,0|2,0,0]=4 1082 B12R2.41 C1=CC2=C(C=C1)NCCCC2 Z374049420 [1,0,0,1,0,0|1,0,1]=4 1083 B12R2.41 C1=CC2=C(C=C1)OCCCO2 Z56963396 [1,0,0,1,0,0|1,0,1]=4 1084 B12R2.41 C1=CC2=C(C=C1)OCCNC2 Z355445126 [1,0,0,1,0,0|1,0,1]=4 1085 B12R2.1081 NC1CCCC2=C1C=CC=C2 Z316170348 [1,0,0,1,0,0|1,0,1]=4 1086 B12R2.1081 O=C1CCCC2=C1C=CC=C2 Z104477014 [1,0,0,1,0,0|0,0,0]=2 1087 B12R2.1081 O=C1CCCC2=C1C=CC=N2 Z1201621685 [1,0,0,1,0,0|1,0,0]=3 1088 B12R2.1081 O=C1CCCC2=C1N=CC=C2 Z1201622535 [1,0,0,1,0,0|1,0,0]=3 1089 B12R2.1081 O=C1CCC[N+]2=C1C=CC=C2 Z1269112409 [1,0,0,1,0,0|1,0,0]=3 1090 B12R2.1081 O=C1CCNC2=C1C=CC=C2 Z1492781321 [1,0,0,1,0,0|1,0,0]=3 1091 B12R2.1081 O=C1CCOC2=C1C=CC=C2 Z85920466 [1,0,0,1,0,0|1,0,0]=3 1092 B12R2.1081 O=C1CCOC2=C1C=CC=N2 Z1198233082 [1,0,0,1,0,0|2,0,0]=4 1093 B12R2.1081 O=C1CCSC2=C1C=CC=C2 Z56914832 [1,0,0,1,0,0|1,0,0]=3 1094 B12R2.1081 O=C1COCC2=C1C=CC=C2 Z1201625145 [1,0,0,1,0,0|1,0,0]=3 1095 B12R2.1081 O=C1NCCC2=C1C=CC=C2 Z56801375 [1,0,0,1,0,0|1,0,0]=3 1096 B12R2.1081 O=C1NCCC2=C1C=NC=C2 Z3513877919 [1,0,0,1,0,0|2,0,0]=4 1097 B12R2.1081 O=S1CCNC2=C1C=CC=C2 Z217166136 [1,0,0,1,0,0|2,0,0]=4 1098 B12R2.1081 OB1OCCC2=C1C=CC=C2 Z1201624582 [1,0,0,1,0,0|2,0,0]=4 1099 B12R2.1081 OC1CCCC2=C1C=CC=C2 Z56899171 [1,0,0,1,0,0|0,0,1]=3 1100 B12R2.1081 OC1CCCC2=C1C=CC=N2 Z1198156585 [1,0,0,1,0,0|1,0,1]=4 1101 B12R2.1081 OC1CCCC2=C1C=NC=C2 Z1255398550 [1,0,0,1,0,0|1,0,1]=4 1102 B12R2.1081 OC1CCNC2=C1C=CC=C2 Z1198723522 [1,0,0,1,0,0|1,0,1]=4 1103 B12R2.1081 OC1CCOC2=C1C=CC=C2 Z335244980 [1,0,0,1,0,0|1,0,1]=4 1104 B12R2.1081 OC1CCSC2=C1C=CC=C2 Z57085790 [1,0,0,1,0,0|1,0,1]=4 1105 B12R2.1081 OC1COCC2=C1C=CC=C2 Z1255366473 [1,0,0,1,0,0|1,0,1]=4 1106 B12R2.1081 OC1CSCC2=C1C=CC=C2 Z445987402 [1,0,0,1,0,0|1,0,1]=4 1107 B12R2.1081 O[C@@H]1CCCC2=C1N=CC=C2 Z1255505566 [1,0,0,1,0,0|1,0,1]=4 1108 B12R2.1081 O[C@@H]1CCOC2=C1C=CC=C2 Z959151866 [1,0,0,1,0,0|1,0,1]=4 1109 B12R2.1081 O[C@@H]1CCSC2=C1C=CC=C2 Z959151622 [1,0,0,1,0,0|1,0,1]=4 1110 B12R2.1081 O[C@H]1CCCC2=C1N=CC=C2 Z1216847007 [1,0,0,1,0,0|1,0,1]=4 1111 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 Z959151868 [1,0,0,1,0,0|1,0,1]=4 1112 B12R2.1081 O[C@H]1CCSC2=C1C=CC=C2 Z959151626 [1,0,0,1,0,0|1,0,1]=4 1113 B12R2.2057 C1=CC=C(C=C1)CCC2CO2 Z1033258586 [1,0,0,1,0,0|0,0,1]=3 1114 B12R2.2057 C1=CC=C(C=C1)OCC2CO2 Z57358969 [1,0,0,1,0,0|1,0,1]=4 1115 B12R2.2057 C1=CC=C(C=C1)SCC2CO2 Z330820010 [1,0,0,1,0,0|1,0,1]=4 1116 B12R2.2058 C1=CC=C(C=C1)CC2CCN2 Z1324054892 [1,0,0,1,0,0|1,0,1]=4 1117 B12R2.2058 C1=CC=C(C=C1)CC2CNC2 Z234895271 [1,0,0,1,0,0|2,0,0]=4 1118 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 Z336080338 [0,0,0,1,1,0|1,0,0]=3 1119 B12R2.22 O=C1CC(N1)C2=CC=CC=C2 Z367677412 [0,0,0,1,1,0|1,0,0]=3 1120 B12R2.22 OC1CC(C1)C2=CC=CC=C2 Z501748204 [0,0,0,1,1,0|1,0,1]=4 1121 B12R2.22 O[C@H]1C[C@H](C1)C2=CC=CC=C2 Z1504675336 [0,0,0,1,1,0|1,0,1]=4 1122 B12R2.24 O=C1C=CC2=C(O1)C=CC=C2 Z57169486 [0,0,0,1,1,0|0,0,2]=4 1123 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 Z1201622353 [0,0,0,1,1,0|2,0,0]=4 1124 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 Z1255486033 [0,0,0,1,1,0|2,0,0]=4 1125 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 Z104495562 [0,0,0,1,1,0|1,0,0]=3 1126 B12R2.24 O=C1CCC2=C(N1)C=CC=C2 Z85917566 [0,0,0,1,1,0|1,0,0]=3 1127 B12R2.24 O=C1CCC2=C(O1)C=CC=C2 Z586249466 [0,0,0,1,1,0|0,0,0]=2 1128 B12R2.24 O=C1CNC2=C(N1)C=CC=C2 Z56990723 [0,0,0,1,1,0|2,0,0]=4 1129 B12R2.24 O=C1COC2=C(N1)C=CC=C2 Z56989567 [0,0,0,1,1,0|2,0,0]=4 1130 B12R2.24 O=C1CSC2=C(N1)C=CC=C2 Z55120717 [0,0,0,1,1,0|2,0,0]=4 1131 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 Z1198157416 [0,0,0,1,1,0|2,0,0]=4 1132 B12R2.24 O=C1NCC2=C(O1)C=CC=C2 Z1198723657 [0,0,0,1,1,0|1,0,0]=3 1133 B12R2.24 OC1CCC2=C(C1)C=CC=C2 Z445987178 [0,0,0,1,1,0|1,0,1]=4 1134 B12R2.2403 CC1(CCC2=C1C=CC=C2)O Z449370928 [0,0,0,1,1,0|1,0,1]=4 1135 B12R2.2403 N=S1(=O)CCC2=C1C=CC=C2 Z2514148544 [0,0,0,1,1,0|2,0,0]=4 1136 B12R2.3190 N=C(N)C1CC2=C1C=CC=C2 Z1613477992 [0,0,0,1,1,0|2,0,0]=4 1137 B12R2.6 O=C1CCC(N1)C2=CC=CO2 Z1509149411 [0,0,0,1,1,0|2,0,0]=4 1138 B12R2.6 O=C1CCC(N1)C2=CC=CS2 Z1251362246 [0,0,0,1,1,0|2,0,0]=4 1139 B12R2.114 O=C1CCCC2=C(N1)C=CS2 Z1033300692 [0,0,0,1,1,0|2,0,0]=4 1140 B12R2.1354 CC(=O)[C@@H]1C[C@H]1C2=CC=CS2 Z2309918518 [0,0,0,1,1,0|2,0,0]=4 1141 B12R2.1354 O=C(O)C1CC1C2=CC=CO2 Z359510162 [0,0,0,1,1,0|1,0,0]=3 1142 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CC=CO2 Z2242045434 [0,0,0,1,1,0|1,0,0]=3 1143 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CNC=N2 Z2573343613 [0,0,0,1,1,0|2,0,0]=4 1144 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CSC=C2 Z2683332742 [0,0,0,1,1,0|1,0,0]=3 1145 B12R2.1362 O=C(O)C1CCC2=C1NN=C2 Z2967335714 [0,0,0,1,1,0|2,0,0]=4 1146 B12R2.1362 O=C(O)C1CCC2=NC=CN12 Z1416171280 [0,0,0,1,1,0|2,0,0]=4 1147 B14R2.2 CC(=O)NC1CCC2=C1C=CC=C2 Z196761018 [0,0,0,1,0,1|1,0,0]=3 1148 B14R2.2 N=C(N)CC1COC2=C1C=CC=C2 Z2092176790 [0,0,0,1,0,1|2,0,0]=4 1149 B14R2.2 NC(=NC1CCC2=C1C=CC=C2)N Z1696871298 [0,0,0,1,0,1|2,0,0]=4 1150 B14R2.2 NC(=O)CN1CCC2=C1C=CC=C2 Z54749713 [0,0,0,1,0,1|1,0,0]=3 1151 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 Z56913182 [0,0,0,1,0,1|0,0,2]=4 1152 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 Z119989454 [0,0,0,1,0,1|0,0,2]=4 1153 B14R2.2 O=C(O)CC1=CSC2=C1C=CC=C2 Z432090858 [0,0,0,1,0,1|0,0,2]=4 1154 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 Z335442472 [0,0,0,1,0,1|1,0,1]=4 1155 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 Z99600464 [0,0,0,1,0,1|1,0,1]=4 1156 B14R2.2 O=C(O)CC1=NSC2=C1C=CC=C2 Z1262511380 [0,0,0,1,0,1|1,0,1]=4 1157 B14R2.2 O=C(O)CC1CCC2=C1C=CC=C2 Z352782144 [0,0,0,1,0,1|0,0,0]=2 1158 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 Z1259339975 [0,0,0,1,0,1|0,0,0]=2 1159 B14R2.2 O=C(O)CC1COC2=C1C=CC=C2 Z1198234596 [0,0,0,1,0,1|0,0,0]=2 1160 B14R2.2 O=C(O)CC1OCC2=C1C=CC=N2 Z5457661360 [0,0,0,1,0,1|1,0,0]=3 1161 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 Z274525914 [0,0,0,1,0,1|0,0,2]=4 1162 B14R2.2 O=C(O)CN1C=NC2=C1C=CC=C2 Z237574652 [0,0,0,1,0,1|1,0,1]=4 1163 B14R2.2 O=C(O)CN1N=CC2=C1C=CC=C2 Z959320648 [0,0,0,1,0,1|1,0,1]=4 1164 B14R2.2 O=C(O)CN1N=NC2=C1C=CC=C2 Z57069978 [0,0,0,1,0,1|2,0,0]=4 1165 B14R2.19 C=C1CCN(C1)CC2=CC=CC=C2 Z1182342629 [0,0,0,1,0,1|2,0,0]=4 1166 B14R2.19 NC1=NCC(N1)CC2=CC=CC=C2 Z1331044122 [0,0,0,1,0,1|2,0,0]=4 1167 B14R2.19 O=C1CC(CN1)CC2=CC=CC=C2 Z1198235320 [0,0,0,1,0,1|1,0,0]=3 1168 B14R2.19 O=C1CCC(N1)CC2=CC=CC=C2 Z1270257271 [0,0,0,1,0,1|1,0,0]=3 1169 B14R2.19 O=C1CCC(O1)CC2=CC=CC=C2 Z1342098372 [0,0,0,1,0,1|0,0,0]=2 1170 B14R2.19 O=C1NCC(O1)CC2=CC=CC=C2 Z1255419800 [0,0,0,1,0,1|0,0,0]=2 1171 B14R2.19 O=C1NN=C(O1)CC2=CC=CC=C2 Z1206172055 [0,0,0,1,0,1|1,0,1]=4 1172 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 Z1222283104 [0,0,0,1,0,1|1,0,0]=3 1173 B14R2.19 OC1CCN(C1)CC2=CC=CC=C2 Z370712446 [0,0,0,1,0,1|1,0,1]=4 1174 B14R2.19 O[C@@H]1CCN(C1)CC2=CC=CC=C2 Z817098778 [0,0,0,1,0,1|1,0,1]=4 1175 B14R2.21 CC1CNCC(O1)C2=CC=CC=C2 Z405744536 [0,0,0,1,0,1|1,0,1]=4 1176 B14R2.21 O=C1C=C(CCC1)C2=CC=CC=C2 Z1201617608 [0,0,0,1,0,1|1,0,0]=3 1177 B14R2.21 O=C1C=C(CCC1)C2=CN=CC=C2 Z1258851299 [0,0,0,1,0,1|2,0,0]=4 1178 B14R2.21 O=C1CCCC(C1)C2=CC=CC=C2 Z1198152074 [0,0,0,1,0,1|1,0,0]=3 1179 B14R2.21 O=C1CCCC(N1)C2=CC=CC=C2 Z1255365075 [0,0,0,1,0,1|1,0,0]=3 1180 B14R2.21 O=C1CNCC(N1)C2=CC=CC=C2 Z2867580643 [0,0,0,1,0,1|1,0,0]=3 1181 B14R2.21 O=C1COCC(N1)C2=CC=CC=C2 Z1255426729 [0,0,0,1,0,1|1,0,0]=3 1182 B14R2.21 O=C1CSCC(N1)C2=CC=CC=C2 Z1509259667 [0,0,0,1,0,1|1,0,0]=3 1183 B14R2.21 OC1C=C(CCC1)C2=CC=CC=C2 Z1255490746 [0,0,0,1,0,1|1,0,1]=4 1184 B14R2.21 OC1CCOC(C1)C2=CC=CC=C2 Z1192341080 [0,0,0,1,0,1|1,0,1]=4 1185 B14R2.21 O[C@@H]1CCN[C@@H](C1)C2=CC=CC=C2 Z3334408669 [0,0,0,1,0,1|1,0,1]=4 1186 B14R2.333 O=S1(=O)NCCC1C2=CC=CC=C2 Z1813175701 [0,0,0,1,0,1|1,0,1]=4 1187 B14R2.391 O=C1CCCCC2=C(N1)C=CC=C2 Z1255423561 [0,0,0,1,0,1|1,0,0]=3 1188 B14R2.764 O=C(O)C1CC1CC2=CC=CC=C2 Z979743464 [0,0,0,1,0,1|0,0,0]=2 1189 B14R2.764 O=C(O)[C@@H]1C[C@H]1SC2=CC=CC=C2 Z4550381864 [0,0,0,1,0,1|0,0,0]=2 1190 B14R2.780 O=C(O)[C@@H]1NC[C@H]1C2=CC=CC=C2 Z3026488112 [0,0,0,1,0,1|0,0,0]=2 1191 B14R2.790 CC(=O)NC1CC1C2=CC=CC=C2 Z826117806 [0,0,0,1,0,1|1,0,0]=3 1192 B14R2.3018 C1=CC=C(C=C1)COCCC2CO2 Z1861993933 [0,0,0,1,0,1|1,0,1]=4 1193 B14R2.3018 C1=CC=C(C=C1)COCC[C@H]2CO2 Z1861993975 [0,0,0,1,0,1|1,0,1]=4 1194 B14R2.31359 CC(=O)N1CCCC2=C1C=CC=N2 Z254451258 [0,0,0,1,0,1|2,0,0]=4 1195 B14R2.31359 CC(=O)N1CCCC2=C1N=CC=C2 Z2494633004 [0,0,0,1,0,1|2,0,0]=4 1196 B14R2.31359 N=C(N)C1CCCC2=C1C=CC=C2 Z1365396759 [0,0,0,1,0,1|2,0,0]=4 1197 B14R2.31359 N=C(N)C1OCCC2=C1C=CC=C2 Z2194170560 [0,0,0,1,0,1|2,0,0]=4 1198 B14R2.31359 NC(=O)C1CCNC2=C1C=CC=C2 Z1255503269 [0,0,0,1,0,1|1,0,0]=3 1199 B14R2.31359 NC(=O)C1NCCC2=C1C=CC=C2 Z844454790 [0,0,0,1,0,1|1,0,0]=3 1200 B14R2.31359 O=C(O)C1CC=CC2=C1C=CC=C2 Z1262514070 [0,0,0,1,0,1|0,0,1]=3 1201 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 Z235361249 [0,0,0,1,0,1|0,0,0]=2 1202 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=N2 Z3463202985 [0,0,0,1,0,1|1,0,0]=3 1203 B14R2.31359 O=C(O)C1CCCC2=C1N=CC=C2 Z1889710360 [0,0,0,1,0,1|1,0,0]=3 1204 B14R2.31359 O=C(O)C1CCNC2=C1C=CC=C2 Z2568751807 [0,0,0,1,0,1|0,0,0]=2 1205 B14R2.31359 O=C(O)C1CCOC2=C1C=CC=C2 Z792377210 [0,0,0,1,0,1|0,0,0]=2 1206 B14R2.31359 O=C(O)C1CCSC2=C1C=CC=C2 Z1262395890 [0,0,0,1,0,1|0,0,0]=2 1207 B14R2.31359 O=C(O)C1CNCC2=C1C=CC=C2 Z255149970 [0,0,0,1,0,1|0,0,0]=2 1208 B14R2.31359 O=C(O)C1OCCC2=C1C=CC=C2 Z255149974 [0,0,0,1,0,1|0,0,0]=2 1209 B14R2.31359 O=C(O)C1SCCC2=C1C=CC=C2 Z1198158777 [0,0,0,1,0,1|0,0,0]=2 1210 B14R2.68 O=C1CCC(=NN1)C2=CC=CC=C2 Z49527497 [0,1,0,1,0,0|1,0,1]=4 1211 B14R2.68 O=C1CCC(CC1)C2=CC=CC=C2 Z56922122 [0,1,0,1,0,0|1,0,0]=3 1212 B14R2.68 O=C1CCC(CC1)C2=NC=CC=C2 Z1255437389 [0,1,0,1,0,0|2,0,0]=4 1213 B14R2.68 O=C1CCN(CC1)C2=CC=CC=C2 Z295882148 [0,1,0,1,0,0|2,0,0]=4 1214 B14R2.68 O=C1CSC(CN1)C2=CC=CC=C2 Z1509188312 [0,1,0,1,0,0|1,1,0]=4 1215 B14R2.68 OC1CCC(CC1)C2=CC=CC=C2 Z335244834 [0,1,0,1,0,0|1,0,1]=4 1216 B14R2.287 CC1NCC(=O)NC2=C1C=CC=C2 Z3242286691 [0,1,0,1,0,0|2,0,0]=4 1217 B14R2.287 O=C1CCC(=O)C2=C(N1)C=CC=C2 Z1198159646 [0,1,0,1,0,0|1,0,1]=4 1218 B14R2.779 NC(=O)N1CC(C1)C2=CC=CC=C2 Z1262636361 [0,1,0,1,0,0|2,0,0]=4 1219 B14R2.779 O=C(O)C1CC(C1)C2=CC=CC=C2 Z858585502 [0,1,0,1,0,0|0,0,0]=2 1220 B14R2.792 OC(CCC1CO1)C2=CC=CC=C2 Z2754711282 [0,1,0,1,0,0|1,0,1]=4 1221 B14R2.2950 CC1(CNC(=O)C1)C2=CC=CC=C2 Z1263715001 [0,1,0,1,0,0|2,0,0]=4 1222 B14R2.2950 CC1(CNC(=O)N1)C2=CC=CC=C2 Z1509151367 [0,1,0,1,0,0|2,0,0]=4 1223 B14R2.9520 CC1(CC1C(=O)O)C2=CC=CC=C2 Z979743476 [0,1,0,1,0,0|0,0,0]=2 1224 B14R2.9520 NC(=O)C1CC1(F)C2=CC=CC=C2 Z1262684484 [0,1,0,1,0,0|1,0,0]=3 1225 B14R2.25733 N[C@@H]1C[C@@H](C2=C1C=CC=C2)C(=O)O Z2306885407 [0,1,0,1,0,0|0,0,0]=2 1226 B14R2.25733 O=C(O)[C@H]1C[C@H](C2=C1C=CC=C2)O Z4512746182 [0,1,0,1,0,0|0,0,0]=2 1227 B14R2.25733 O=C1CC(C2=C1C=CC=C2)C(=O)O Z1079167836 [0,1,0,1,0,0|0,0,1]=3 1228 B14R2.25733 O=C1NC(C2=C1C=CC=C2)C(=O)O Z1255419749 [0,1,0,1,0,0|1,0,1]=4 1229 B14R2.25733 O=C1OC(C2=C1C=CC=C2)C(=O)O Z1198161402 [0,1,0,1,0,0|1,0,1]=4 1230 B14R2.29285 NC1CCS(=O)(=O)C2=C1C=CC=C2 Z149094958 [0,1,0,1,0,0|1,0,1]=4 1231 B14R2.29285 N[C@H]1CCS(=O)(=O)C2=C1C=CC=C2 Z1473994882 [0,1,0,1,0,0|1,0,1]=4 1232 B14R2.29285 O=S1(=O)CCC(C2=C1C=CC=C2)O Z445987576 [0,1,0,1,0,0|1,0,1]=4 1233 B14R2.29285 O=S1(=O)CC[C@@H](C2=C1C=CC=C2)O Z959151640 [0,1,0,1,0,0|1,0,1]=4 1234 B14R2.29285 O=S1(=O)CC[C@H](C2=C1C=CC=C2)O Z959151642 [0,1,0,1,0,0|1,0,1]=4 1235 B14R2.22 CC1=CC(=CC=C1)C2CNC(=O)C2 Z1251360847 [0,1,0,1,0,0|2,0,0]=4 1236 B14R2.22 NC1=CC(=CC=C1)C2CCC(=O)N2 Z1258979783 [0,1,0,1,0,0|1,0,0]=3 1237 B14R2.22 NC1=CC(=CC=C1)C2CNC(=O)C2 Z1255401112 [0,1,0,1,0,0|2,0,0]=4 1238 B14R2.22 O=C1CC(CN1)C2=CC=CC(=C2)Cl Z1198266545 [0,1,0,1,0,0|2,0,0]=4 1239 B14R2.22 O=C1CC(CN1)C2=CC=CC(=C2)F Z963404492 [0,1,0,1,0,0|2,0,0]=4 1240 B14R2.22 O=C1CCN(C1)C2=CC=CC(=C2)Br Z415646330 [0,1,0,1,0,0|2,0,0]=4 1241 B14R2.300 CC(=O)N1CCC2=C1C=CC(=C2)Br Z111534884 [0,1,0,1,0,0|2,0,0]=4 1242 B14R2.300 CC(=O)N1CCC2=C1C=CC(=C2)N Z147642946 [0,1,0,1,0,0|2,0,0]=4 1243 B14R2.300 NC(=O)N1CCC2=C1C=CC(=C2)N Z332726276 [0,1,0,1,0,0|2,0,0]=4 1244 B14R2.300 O=C(O)C1CCC2=C1C=CC(=C2)Cl Z1198278140 [0,1,0,1,0,0|0,0,0]=2 1245 B14R2.4476 CC1=CC(=CC=C1)[C@@H]2C[C@H]2C(=O)O Z2306910179 [0,1,0,1,0,0|0,0,0]=2 1246 B14R2.4476 O=C(O)C1CC1C2=CC(=CC=C2)O Z1216651566 [0,1,0,1,0,0|0,0,0]=2 1247 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC=C2)Br Z2251736248 [0,1,0,1,0,0|0,0,0]=2 1248 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC=C2)Cl Z2250620212 [0,1,0,1,0,0|0,0,0]=2 1249 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC=C2)F Z2309887928 [0,1,0,1,0,0|0,0,0]=2 1250 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC(=CC=C2)O Z1262554401 [0,1,0,1,0,0|0,0,0]=2 1251 B14R2.4640 NC1=CC2=C(C=C1)S(=O)(=O)CCC2 Z1813166616 [0,1,0,1,0,0|1,0,1]=4 1252 B14R2.7974 CC1=CC2=C(C=C1)NC(=O)CCS2 Z1255362717 [0,1,0,1,0,0|2,0,0]=4 1253 B14R2.7974 NC1=CC2=C(C=C1)NC(=O)CCC2 Z291280252 [0,1,0,1,0,0|1,0,0]=3 1254 B14R2.7974 O=C1CCCC2=C(N1)C=CC(=C2)Br Z385461178 [0,1,0,1,0,0|1,0,0]=3 1255 B14R2.7974 O=C1CCCC2=C(N1)C=CC(=C2)Cl Z1263715714 [0,1,0,1,0,0|1,0,0]=3 1256 B14R2.7974 O=C1CCCC2=C(N1)C=CC(=C2)O Z1509164164 [0,1,0,1,0,0|1,0,0]=3 1257 B14R2.7974 O=C1CCNC2=C(N1)C=CC(=C2)Br Z1269184197 [0,1,0,1,0,0|2,0,0]=4 1258 B14R2.7974 O=C1CCOC2=C(C1)C=CC(=C2)Br Z2471604345 [0,1,0,1,0,0|2,0,0]=4 1259 B14R2.7974 O=C1CCSC2=C(N1)C=CC(=C2)Cl Z1509153639 [0,1,0,1,0,0|2,0,0]=4 1260 B14R2.7974 O=C1COCC2=C(N1)C=CC(=C2)Br Z1269199928 [0,1,0,1,0,0|2,0,0]=4 1261 B14R2.8053 CC(=O)N1CCC2=C1C(=CC=C2)N Z1201619740 [0,1,0,1,0,0|2,0,0]=4 1262 B14R2.8053 NC(=O)N1CCC2=C1C(=CC=C2)F Z1449633199 [0,1,0,1,0,0|2,0,0]=4 1263 B14R2.8053 O=C(O)C1CCC2=C1C(=CC=C2)F Z1251361024 [0,1,0,1,0,0|0,0,0]=2 1264 B14R2.8053 O=C(O)C1CCC2=C1C(=CC=C2)O Z1486018098 [0,1,0,1,0,0|0,0,0]=2 1265 B14R2.8053 O=C(O)C1CCC2=CC=CC(=O)N12 Z1509082187 [0,1,0,1,0,0|1,0,0]=3 1266 B14R2.9057 NC1=CC(=CC=C1)OC2CC(=O)N2 Z2301534018 [0,1,0,1,0,0|2,0,0]=4 1267 B14R2.28471 NC1=C2C(=CC=C1)CCCS2(=O)=O Z2750452333 [0,1,0,1,0,0|1,0,1]=4 1268 B14R2.256 CC1=C(C=CC=C1)C2CNC(=O)C2 Z979035286 [0,1,0,1,0,0|2,0,0]=4 1269 B14R2.256 NC1=C(C=CC=C1)C2CCC(=O)N2 Z2692093593 [0,1,0,1,0,0|1,0,0]=3 1270 B14R2.256 NC1=C(C=CC=C1)C2CNC(=O)C2 Z3242235283 [0,1,0,1,0,0|2,0,0]=4 1271 B14R2.256 O=C1NC(CO1)C2=C(C=CC=C2)I Z2182109334 [0,1,0,1,0,0|2,0,0]=4 1272 B14R2.280 O=C1CCC2=C(C=CC=C2)CCN1 Z1255361336 [0,1,0,1,0,0|2,0,0]=4 1273 B14R2.663 NC1=C(C=CC=C1)OC2CC(=O)N2 Z2327586577 [0,1,0,1,0,0|2,0,0]=4 1274 B14R2.768 CC(=O)CN1CC2=C(C1)C=CC=C2 Z1849005925 [0,1,0,1,0,0|2,0,0]=4 1275 B14R2.768 O=C(O)CC1=CC2=C(C1)C=CC=C2 Z1262511318 [0,1,0,1,0,0|0,0,1]=3 1276 B14R2.768 O=C(O)CC1=CC2=C(O1)C=CC=C2 Z235569554 [0,1,0,1,0,0|0,0,2]=4 1277 B14R2.768 O=C(O)CC1=CC2=C(S1)C=CC=C2 Z1198265898 [0,1,0,1,0,0|0,0,2]=4 1278 B14R2.768 O=C(O)CC1=NC2=C(S1)C=CC=C2 Z57055798 [0,1,0,1,0,0|1,0,1]=4 1279 B14R2.768 O=C(O)CN1C=C2C=CC=CC2=N1 Z1083213968 [0,1,0,1,0,0|1,0,1]=4 1280 B14R2.768 O=C(O)CN1CC2=C(C1)C=CC=C2 Z57335261 [0,1,0,1,0,0|1,0,0]=3 1281 B14R2.781 N=C(N)C1CCC2=C(C1)C=CC=C2 Z3074058762 [0,1,0,1,0,0|2,0,0]=4 1282 B14R2.781 NC(=O)C1CC2=C(C=CC=C2)CN1 Z85957174 [0,1,0,1,0,0|2,0,0]=4 1283 B14R2.781 NC(=O)C1CCC2=C(N1)C=CC=C2 Z300072128 [0,1,0,1,0,0|1,0,0]=3 1284 B14R2.781 NC(=O)C1CNC2=C(C1)C=CC=C2 Z1029445920 [0,1,0,1,0,0|2,0,0]=4 1285 B14R2.781 NC(=O)C1CNC2=C(O1)C=CC=C2 Z57028529 [0,1,0,1,0,0|2,0,0]=4 1286 B14R2.781 NC(=O)C1COC2=C(C1)C=CC=C2 Z145120114 [0,1,0,1,0,0|2,0,0]=4 1287 B14R2.781 NC(=O)C1COC2=C(O1)C=CC=C2 Z33546222 [0,1,0,1,0,0|2,0,0]=4 1288 B14R2.781 NC(=O)N1CCC2=C(C1)C=CC=C2 Z198194340 [0,1,0,1,0,0|2,0,0]=4 1289 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 Z56822177 [0,1,0,1,0,0|1,0,0]=3 1290 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CO1 Z1255464869 [0,1,0,1,0,0|1,0,0]=3 1291 B14R2.781 O=C(O)C1CCC2=C(C1)C=CC=C2 Z792377344 [0,1,0,1,0,0|0,0,0]=2 1292 B14R2.781 O=C(O)C1CCC2=C(C1)C=NC=N2 Z1416187972 [0,1,0,1,0,0|2,0,0]=4 1293 B14R2.781 O=C(O)C1CCC2=C(N1)C=CC=C2 Z2724443277 [0,1,0,1,0,0|0,0,0]=2 1294 B14R2.781 O=C(O)C1CCC2=C(O1)C=CC=C2 Z1198148530 [0,1,0,1,0,0|0,0,0]=2 1295 B14R2.781 O=C(O)C1CNC2=C(C1)C=CC=C2 Z3241252785 [0,1,0,1,0,0|1,0,0]=3 1296 B14R2.781 O=C(O)C1CNC2=C(O1)C=CC=C2 Z90669210 [0,1,0,1,0,0|1,0,0]=3 1297 B14R2.781 O=C(O)C1COC2=C(O1)C=CC=C2 Z56839652 [0,1,0,1,0,0|1,0,0]=3 1298 B14R2.781 O=C(O)C1CSC2=C(O1)C=CC=C2 Z916847046 [0,1,0,1,0,0|1,0,0]=3 1299 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 Z762926698 [0,1,0,1,0,0|1,0,0]=3 1300 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 Z359370254 [0,1,0,1,0,0|1,0,0]=3 1301 B14R2.5443 CC(=O)C1CC1C2=C(C=CC=C2)Cl Z370707882 [0,1,0,1,0,0|1,0,0]=3 1302 B14R2.5443 CC1=C(C=CC=C1)[C@@H]2C[C@H]2C(=O)O Z2306910181 [0,1,0,1,0,0|0,0,0]=2 1303 B14R2.5443 CC1=C(C=NC=C1)[C@@H]2C[C@H]2C(=O)O Z3271406801 [0,1,0,1,0,0|1,0,0]=3 1304 B14R2.5443 O=C(O)C1CC1C2=C(C=CC=C2)Br Z450468456 [0,1,0,1,0,0|0,0,0]=2 1305 B14R2.5443 O=C(O)C1CC1C2=C(C=CC=C2)F Z203244240 [0,1,0,1,0,0|0,0,0]=2 1306 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC=C2)Br Z2242045651 [0,1,0,1,0,0|0,0,0]=2 1307 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC=C2)Cl Z2235816073 [0,1,0,1,0,0|0,0,0]=2 1308 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC=C2)F Z2247955070 [0,1,0,1,0,0|0,0,0]=2 1309 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(C=NC=C2)F Z3271403154 [0,1,0,1,0,0|1,0,0]=3 1310 B14R2.8032 CC1=C2OCC(C2=CC=C1)C(=O)O Z1813348148 [0,1,0,1,0,0|1,0,0]=3 1311 B14R2.8032 O=C(O)C1CCC2=C(C=CC=C12)Br Z1269221282 [0,1,0,1,0,0|0,0,0]=2 1312 B14R2.8032 O=C(O)C1CCC2=C(C=CC=C12)Cl Z1198318701 [0,1,0,1,0,0|0,0,0]=2 1313 B14R2.8032 O=C(O)C1CCC2=C(C=CC=C12)F Z1198318702 [0,1,0,1,0,0|0,0,0]=2 1314 B14R2.28454 O=C1CCCC2=C(C=CC=C2N1)Br Z1269205298 [0,1,0,1,0,0|1,0,0]=3 1315 B14R2.28454 O=C1CCCC2=C(C=CC=C2N1)O Z1509150579 [0,1,0,1,0,0|1,0,0]=3 1316 B14R2.28454 O=C1COCC2=C(C=CC=C2N1)Br Z3681691112 [0,1,0,1,0,0|2,0,0]=4 1317 B14R2.431 NC1(CC(C1)O)CC2=CC=CC=C2 Z5231797795 [0,1,0,1,0,0|1,0,1]=4 1318 B14R2.598 O=C1NC(=O)C(O1)C2=CC=CC=C2 Z1198149953 [0,1,0,1,0,0|1,0,1]=4 1319 B14R2.642 CC(=O)N1C2=C(C=CC=C2)CC1C Z27690969 [0,1,0,1,0,0|2,0,0]=4 1320 B14R2.738 CC1CC(=O)NC2=C(N1)C=CC=C2 Z56979282 [0,1,0,1,0,0|2,0,0]=4 1321 B14R2.738 CC1CC(=O)NC2=C(S1)C=CC=C2 Z368413012 [0,1,0,1,0,0|2,0,0]=4 1322 B14R2.4586 CC1C(C1C2=CC=CC=C2)C(=O)O Z1262523517 [0,1,0,1,0,0|0,0,0]=2 1323 B14R2.260 O=C1CC(CC1=O)C2=CC=CC=C2 Z1513607985 [0,1,0,1,0,0|1,0,1]=4 1324 B14R2.260 O=C1NC(CC1O)C2=CC=CC=C2 Z1509163936 [0,1,0,1,0,0|1,0,0]=3 1325 B14R2.741 CC1CNC2=C(C=CC=C2)NC1=O Z57115492 [0,1,0,1,0,0|2,0,0]=4 1326 B14R2.741 CC1CSC2=C(C=CC=C2)NC1=O Z1495921309 [0,1,0,1,0,0|2,0,0]=4 1327 B14R2.741 CC1NCC2=C(C=CC=C2)NC1=O Z2517204624 [0,1,0,1,0,0|2,0,0]=4 1328 B14R2.741 NC1CCC2=C(C=CC=C2)NC1=O Z2489418689 [0,1,0,1,0,0|1,0,0]=3 1329 B14R2.741 O=C1NC2=C(C=CC=C2)CCC1O Z2418194280 [0,1,0,1,0,0|1,0,0]=3 1330 B14R2.786 C[C@@]1(C[C@@H]1C2=CC=CC=C2)C(=O)O Z2298158000 [0,1,0,1,0,0|0,0,0]=2 1331 B14R2.9535 CC1(CCC2=C1C=CC=C2)C(=O)O Z1259317290 [0,1,0,1,0,0|0,0,0]=2 1332 B14R2.9535 NC1(CCC2=C1C=CC=C2)C(=O)O Z234896489 [0,1,0,1,0,0|0,0,0]=2 1333 B14R2.20 CC1=CC=C(C=C1)C2CNC(=O)C2 Z1251360848 [0,1,0,1,0,0|2,0,0]=4 1334 B14R2.20 NC1=CC=C(C=C1)C2CCC(=O)N2 Z1258979785 [0,1,0,1,0,0|1,0,0]=3 1335 B14R2.20 NC1=CC=C(C=C1)C2CNC(=O)C2 Z1255362676 [0,1,0,1,0,0|2,0,0]=4 1336 B14R2.20 NC1=NCC(O1)C2=CC=C(C=C2)Cl Z1198155407 [0,1,0,1,0,0|2,0,0]=4 1337 B14R2.20 O=C1CC(CN1)C2=CC=C(C=C2)Br Z1269215863 [0,1,0,1,0,0|2,0,0]=4 1338 B14R2.20 O=C1CC(CN1)C2=CC=C(C=C2)F Z1198162881 [0,1,0,1,0,0|2,0,0]=4 1339 B14R2.20 O=C1CCC(N1)C2=CC=C(C=C2)Br Z1269201959 [0,1,0,1,0,0|1,0,0]=3 1340 B14R2.20 O=C1CCC(N1)C2=CC=C(C=C2)F Z1255385257 [0,1,0,1,0,0|1,0,0]=3 1341 B14R2.20 O=C1COC(C1)C2=CC=C(C=C2)Br Z2489377578 [0,1,0,1,0,0|2,0,0]=4 1342 B14R2.20 O=C1NC(CO1)C2=CC=C(C=C2)Br Z1266873491 [0,1,0,1,0,0|2,0,0]=4 1343 B14R2.380 NC1=CC2=C(C=C1)CCCC(=O)N2 Z1198163907 [0,1,0,1,0,0|1,0,0]=3 1344 B14R2.380 O=C1CC2=C(C=CC(=C2)O)CCN1 Z1509152364 [0,1,0,1,0,0|2,0,0]=4 1345 B14R2.380 O=C1CCCC2=C(N1)C=C(C=C2)Br Z1269216719 [0,1,0,1,0,0|1,0,0]=3 1346 B14R2.380 O=C1CCCC2=C(N1)C=C(C=C2)F Z1251362337 [0,1,0,1,0,0|1,0,0]=3 1347 B14R2.380 O=C1CCNC2=C(N1)C=C(C=C2)F Z1227766123 [0,1,0,1,0,0|2,0,0]=4 1348 B14R2.380 O=C1CCOC2=C(N1)C=C(C=C2)Br Z1269121360 [0,1,0,1,0,0|2,0,0]=4 1349 B14R2.380 O=C1COCC2=C(N1)C=C(C=C2)Br Z3681810391 [0,1,0,1,0,0|2,0,0]=4 1350 B14R2.380 O=C1CSCC2=C(N1)C=C(C=C2)Br Z5336175958 [0,1,0,1,0,0|2,0,0]=4 1351 B14R2.947 NC1=CC=C(C=C1)OC2CC(=O)N2 Z2234197896 [0,1,0,1,0,0|2,0,0]=4 1352 B14R2.947 O=C1CC(N1)OC2=CC=C(C=C2)Br Z2289799378 [0,1,0,1,0,0|2,0,0]=4 1353 B14R2.4402 CC(=O)C1CC1C2=CC=C(C=C2)F Z370707900 [0,1,0,1,0,0|1,0,0]=3 1354 B14R2.4402 CC1=CC=C(C=C1)C2CC2C(=O)O Z450468392 [0,1,0,1,0,0|0,0,0]=2 1355 B14R2.4402 NC1=CC=C(C=C1)[C@@H]2C[C@H]2C(=O)O Z2309896677 [0,1,0,1,0,0|0,0,0]=2 1356 B14R2.4402 O=C(O)C1CC1C2=CC=C(C=C2)Br Z450468406 [0,1,0,1,0,0|0,0,0]=2 1357 B14R2.4402 O=C(O)C1CC1C2=CC=C(C=C2)F Z203244232 [0,1,0,1,0,0|0,0,0]=2 1358 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(C=C2)Cl Z2306910175 [0,1,0,1,0,0|0,0,0]=2 1359 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(C=C2)F Z2327124588 [0,1,0,1,0,0|0,0,0]=2 1360 B14R2.5816 NC(=O)N1CCC2=C1C=C(C=C2)N Z332726342 [0,1,0,1,0,0|2,0,0]=4 1361 B14R2.5816 O=C(O)C1CCC2=C1C=C(C=C2)Br Z1269194102 [0,1,0,1,0,0|0,0,0]=2 1362 B14R2.5816 O=C(O)C1COC2=C1C=C(C=C2)Br Z1269233195 [0,1,0,1,0,0|1,0,0]=3 1363 B14R2.5816 O=C(O)C1COC2=C1C=C(C=C2)Cl Z1198276236 [0,1,0,1,0,0|1,0,0]=3 1364 B14R2.8 NC[C@H]1CC[C@@H](O1)C2=CC=CC=C2 Z2146513810 [0,1,0,1,0,0|1,0,1]=4 1365 B14R2.8 NC[C@H]1CC[C@H](O1)C2=CC=CC=C2 Z2160914657 [0,1,0,1,0,0|1,0,1]=4 1366 B14R2.8 OCC1CCC(O1)C2=CC=CC=C2 Z1896321666 [0,1,0,1,0,0|0,0,2]=4 1367 B14R2.8 OC[C@@H]1CC[C@H](C1)C2=CC=CC=C2 Z2262019790 [0,1,0,1,0,0|1,0,1]=4 1368 B14R2.95 C=CC(=O)N1CCC2=C1C=CC=C2 Z440633700 [0,1,0,1,0,0|2,0,0]=4 1369 B14R2.95 COC(=O)C1CCC2=C1C=CC=C2 Z1079167842 [0,1,0,1,0,0|0,0,0]=2 1370 B14R2.95 COC(=O)C1COC2=C1C=CC=C2 Z1197141941 [0,1,0,1,0,0|1,0,0]=3 1371 B14R2.95 COC(=O)N1CCC2=C1C=CC=C2 Z57190287 [0,1,0,1,0,0|1,0,0]=3 1372 B14R2.95 NC(CO)C1CCC2=C1C=CC=C2 Z3301766357 [0,1,0,1,0,0|1,0,1]=4 1373 B14R2.95 NCC(=O)N1CCC2=C1C=CC=C2 Z234896403 [0,1,0,1,0,0|2,0,0]=4 1374 B14R2.95 O=C(CCl)N1CCC2=C1C=CC=C2 Z56869469 [0,1,0,1,0,0|2,0,0]=4 1375 B14R2.95 O=C(CO)N1CCC2=C1C=CC=C2 Z431953002 [0,1,0,1,0,0|1,0,0]=3 1376 B14R2.95 O=C(NO)C1CCC2=C1C=CC=C2 Z1776097430 [0,1,0,1,0,0|0,0,0]=2 1377 B14R2.95 O=C(NO)C1COC2=C1C=CC=C2 Z1197877853 [0,1,0,1,0,0|1,0,0]=3 1378 B14R2.279 CN1C(=O)CCNC2=C1C=CC=C2 Z1230082765 [0,1,0,1,0,0|2,0,0]=4 1379 B14R2.958 COC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2327124590 [0,1,0,1,0,0|0,0,0]=2 1380 B14R2.958 COC(=O)[C@@H]1C[C@H]1C2=NC=CC=C2 Z2309887439 [0,1,0,1,0,0|1,0,0]=3 1381 B14R2.3459 CC1(CCCC2=C1C=CC=C2)C=O Z1511786768 [0,1,0,1,0,0|1,0,1]=4 1382 B14R2.4514 CN1C(=O)CNC1C2=CC=CC=C2 Z731057346 [0,1,0,1,0,0|2,0,0]=4 1383 B14R2.286 O=S(=O)(F)C1CCC2=C1C=CC=C2 Z2828208684 [0,1,0,1,0,0|1,0,1]=4 1384 B14R3.697 O=C1OC2=C(C=CC=C2)C3C1O3 Z3847441191 [0,0,0,2,0,0|1,0,0]=3 1385 B10R1.18 CC(=O)CC1=CC=NC=C1 Z992409812 [0,0,0,0,2,0|2,0,0]=4 1386 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [0,0,0,0,2,0|2,0,0]=4 1387 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [0,0,0,0,2,0|1,0,1]=4 1388 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [0,0,0,0,2,0|2,0,0]=4 1389 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [0,0,0,0,2,0|1,0,0]=3 1390 B10R1.18 NC(=O)CC1=CC=NC=C1 Z234895093 [0,0,0,0,2,0|2,0,0]=4 1391 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [0,0,0,0,2,0|2,0,0]=4 1392 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [0,0,0,0,2,0|1,1,0]=4 1393 B10R1.18 O=C(O)CC1=CC=NC=C1 Z271099418 [0,0,0,0,2,0|1,0,0]=3 1394 B10R1.18 O=C(O)CC1=CN=CC=C1 Z285131558 [0,0,0,0,2,0|1,0,0]=3 1395 B10R1.18 O=C(O)CC1=CN=CN=C1 Z1889902548 [0,0,0,0,2,0|2,0,0]=4 1396 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [0,0,0,0,2,0|1,0,0]=3 1397 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 Z995236210 [0,0,0,0,2,0|1,0,1]=4 1398 B10R1.18 OB(O)CC1=CC=CC=C1 Z1147227831 [0,0,0,0,2,0|1,0,1]=4 1399 B10R1.66 CC(=O)CCC1=CSC=C1 Z444869186 [0,0,0,0,2,0|2,0,0]=4 1400 B10R1.66 O=C(O)CCC1=CC=CS1 Z57052863 [0,0,0,0,2,0|1,0,0]=3 1401 B10R1.66 O=C(O)CCC1=CC=NN1 Z3063833168 [0,0,0,0,2,0|2,0,0]=4 1402 B10R1.66 O=C(O)CCC1=CN=CO1 Z1255388483 [0,0,0,0,2,0|2,0,0]=4 1403 B10R1.66 O=C(O)CCC1=CNC=N1 Z1770193418 [0,0,0,0,2,0|2,0,0]=4 1404 B10R1.66 O=C(O)CCC1=CNN=C1 Z2251841401 [0,0,0,0,2,0|2,0,0]=4 1405 B10R1.66 O=C(O)CCC1=COC=C1 Z1098234501 [0,0,0,0,2,0|1,0,0]=3 1406 B10R1.66 O=C(O)CCC1=CON=C1 Z1205656268 [0,0,0,0,2,0|2,0,0]=4 1407 B10R1.66 O=C(O)CCC1=CSC=C1 Z85923469 [0,0,0,0,2,0|1,0,0]=3 1408 B10R1.66 O=C(O)CCC1=CSC=N1 Z381407422 [0,0,0,0,2,0|2,0,0]=4 1409 B10R1.66 O=C(O)CCC1=NC=CN1 Z1913661002 [0,0,0,0,2,0|2,0,0]=4 1410 B10R1.66 O=C(O)CCC1=NC=CS1 Z381407426 [0,0,0,0,2,0|2,0,0]=4 1411 B10R1.66 O=C(O)CCC1=NOC=C1 Z1198279853 [0,0,0,0,2,0|2,0,0]=4 1412 B10R1.66 O=C(O)CCN1C=CC=C1 Z245326706 [0,0,0,0,2,0|1,0,0]=3 1413 B10R1.66 O=C(O)CCN1C=CC=N1 Z220346786 [0,0,0,0,2,0|2,0,0]=4 1414 B10R1.66 O=C(O)CCN1C=CN=C1 Z53111117 [0,0,0,0,2,0|2,0,0]=4 1415 B10R1.66 O=C(O)COC1=CSC=C1 Z1262541445 [0,0,0,0,2,0|2,0,0]=4 1416 B14R1.422 CC(=CCCNCC1=CC=CC=C1)C Z1262611625 [0,0,0,0,0,2|2,0,0]=4 1417 B14R1.422 CC(=O)NCCCSC1=CC=NC=C1 Z1478236166 [0,0,0,0,0,2|2,0,0]=4 1418 B14R1.422 CC(O)CCCOCC1=CC=CC=C1 Z902048690 [0,0,0,0,0,2|1,0,1]=4 1419 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 Z424791194 [0,0,0,0,0,2|0,0,0]=2 1420 B14R1.422 O=C(O)CCCNCC1=CC=CC=C1 Z1569708913 [0,0,0,0,0,2|0,0,0]=2 1421 B14R1.422 O=C(O)CCCNCC1=NC=CC=C1 Z363998446 [0,0,0,0,0,2|1,0,0]=3 1422 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 Z316258810 [0,0,0,0,0,2|0,0,0]=2 1423 B14R1.422 O=C(O)CCNCCC1=CC=CC=C1 Z1270173016 [0,0,0,0,0,2|0,0,0]=2 1424 B14R1.422 O=C(O)COC/C=C/C1=CC=CC=C1 Z2887852692 [0,0,0,0,0,2|0,0,1]=3 1425 B14R1.422 O=C(O)COCCOC1=CC=CC=C1 Z316259120 [0,0,0,0,0,2|0,0,0]=2 1426 B14R1.422 O=C(O)CSCCCC1=CC=CC=C1 Z65517782 [0,0,0,0,0,2|0,0,0]=2