0 B13R1.3787 CC1=C(C(=CC=C1)Br)OCC(=O)O Z3753116757 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.3787 CC1=C(C(=CC=C1)Cl)OCC(=O)O Z1209414278 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.3787 CC1=C(C(=O)C=CO1)OCC(=O)O Z2900187978 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.3787 CC1=C(C(=O)NC=N1)CCC(=O)O Z356290466 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.3787 CC1=CC=CC(=C1NCC(=O)O)C Z1262398548 [0,0,0,0,0,0|1,0,0]=1 5 B13R1.3787 CC1=CC=CC(=C1NCC(C)O)C Z975898884 [0,0,0,0,0,0|2,0,1]=3 6 B13R1.3787 CC1=CC=CC(=C1OCC(=O)O)C Z56924437 [0,0,0,0,0,0|0,0,0]=0 7 B13R1.3787 CC1=CC=CC(=C1OCC(C)N)C Z2237335016 [0,0,0,0,0,0|2,0,1]=3 8 B13R1.3787 NC(=O)COC1=C(C=CC=C1Br)Br Z852768298 [0,0,0,0,0,0|3,0,0]=3 9 B13R1.3787 NC(=O)COC1=C(C=CC=C1Cl)Cl Z25063208 [0,0,0,0,0,0|3,0,0]=3 10 B13R1.3787 O=C(O)/C=C/C1=C(C=CC=C1Cl)Cl Z2942852261 [0,0,0,0,0,0|3,0,1]=4 11 B13R1.3787 O=C(O)/C=C/C1=C(C=CC=C1F)F Z2942853224 [0,0,0,0,0,0|3,0,1]=4 12 B13R1.3787 O=C(O)CCC1=C(C=CC=C1Cl)Cl Z317038036 [0,0,0,0,0,0|3,0,0]=3 13 B13R1.3787 O=C(O)CCC1=C(C=CC=C1F)Cl Z317038042 [0,0,0,0,0,0|3,0,0]=3 14 B13R1.3787 O=C(O)CCC1=C(C=CC=C1F)F Z317037972 [0,0,0,0,0,0|3,0,0]=3 15 B13R1.3787 O=C(O)CCC1=C(C=NC=C1Br)Br Z1269232111 [0,0,0,0,0,0|4,0,0]=4 16 B13R1.3787 O=C(O)CCC1=C(C=NC=C1Cl)Cl Z1269178763 [0,0,0,0,0,0|4,0,0]=4 17 B13R1.3787 O=C(O)COC1=C(C=CC=C1Cl)Cl Z56928539 [0,0,0,0,0,0|2,0,0]=2 18 B13R1.3787 O=C(O)CSC1=C(C=CC=C1Cl)Cl Z56960314 [0,0,0,0,0,0|2,1,0]=3 19 B12R1.125 CC(=O)CCC1=C(C=CC=C1)F Z406376954 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.125 CC1=C(C=CC=C1)/C=C/C(=O)O Z2417574586 [1,0,0,0,0,0|1,0,1]=3 21 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O Z317037960 [1,0,0,0,0,0|1,0,0]=2 22 B12R1.125 CC1=C(C=CC=C1)NCC(=O)N Z104590676 [1,0,0,0,0,0|2,0,0]=3 23 B12R1.125 CC1=C(C=CC=C1)OCC(=N)N Z823287452 [1,0,0,0,0,0|2,0,0]=3 24 B12R1.125 CC1=C(C=CC=C1)OCC(=O)N Z19733874 [1,0,0,0,0,0|1,0,0]=2 25 B12R1.125 CC1=C(C=CC=C1)OCC(=O)O Z56820406 [1,0,0,0,0,0|0,0,0]=1 26 B12R1.125 CC1=C(C=CC=C1)OCC(C)N Z271016914 [1,0,0,0,0,0|2,0,1]=4 27 B12R1.125 CC1=C(C=CC=C1)SCC(=O)O Z56870728 [1,0,0,0,0,0|0,1,0]=2 28 B12R1.125 CC1=C(C=CC=N1)/C=C/C(=O)O Z2235790871 [1,0,0,0,0,0|2,0,1]=4 29 B12R1.125 CC1=C(C=CC=N1)CCC(=O)O Z3213741164 [1,0,0,0,0,0|2,0,0]=3 30 B12R1.125 CC1=C(C=CN=C1)/C=C/C(=O)O Z2235790666 [1,0,0,0,0,0|2,0,1]=4 31 B12R1.125 CC1=C(N=CC=C1)/C=C/C(=O)O Z2327040014 [1,0,0,0,0,0|2,0,1]=4 32 B12R1.125 CC1=C(N=CC=C1)CCC(=O)O Z1198279885 [1,0,0,0,0,0|2,0,0]=3 33 B12R1.125 NC(=O)CCC1=C(C=CC=C1)Br Z741559968 [1,0,0,0,0,0|3,0,0]=4 34 B12R1.125 NC(=O)CCC1=C(C=CC=C1)N Z414316848 [1,0,0,0,0,0|3,0,0]=4 35 B12R1.125 NC(=O)CCC1=C(C=CC=C1)O Z371352778 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Br Z137588472 [1,0,0,0,0,0|3,0,0]=4 37 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Cl Z104528166 [1,0,0,0,0,0|3,0,0]=4 38 B12R1.125 NC(=O)CNC1=C(C=CC=C1)I Z133437412 [1,0,0,0,0,0|3,0,0]=4 39 B12R1.125 NC(=O)COC1=C(C=CC=C1)Br Z17829253 [1,0,0,0,0,0|2,0,0]=3 40 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl Z19726626 [1,0,0,0,0,0|2,0,0]=3 41 B12R1.125 NC(=O)COC1=C(C=CC=C1)F Z19724798 [1,0,0,0,0,0|2,0,0]=3 42 B12R1.125 NC(=O)COC1=C(C=CC=C1)I Z406416164 [1,0,0,0,0,0|2,0,0]=3 43 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Br Z149386624 [1,0,0,0,0,0|2,1,0]=4 44 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Cl Z18459622 [1,0,0,0,0,0|2,1,0]=4 45 B12R1.125 NC(=O)CSC1=C(C=CC=C1)N Z57332466 [1,0,0,0,0,0|2,1,0]=4 46 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Br Z2315575361 [1,0,0,0,0,0|2,0,1]=4 47 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl Z57264035 [1,0,0,0,0,0|2,0,1]=4 48 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)F Z2573655240 [1,0,0,0,0,0|2,0,1]=4 49 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Br Z406704244 [1,0,0,0,0,0|2,0,0]=3 50 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl Z56943366 [1,0,0,0,0,0|2,0,0]=3 51 B12R1.125 O=C(O)CCC1=C(C=CC=C1)F Z57991059 [1,0,0,0,0,0|2,0,0]=3 52 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O Z56347225 [1,0,0,0,0,0|2,0,0]=3 53 B12R1.125 O=C(O)CCN1C=CC=CC1=O Z240085344 [1,0,0,0,0,0|3,0,0]=4 54 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl Z274534698 [1,0,0,0,0,0|2,0,0]=3 55 B12R1.125 O=C(O)COC1=C(C=CC=C1)Br Z111834298 [1,0,0,0,0,0|1,0,0]=2 56 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl Z57042068 [1,0,0,0,0,0|1,0,0]=2 57 B12R1.125 O=C(O)COC1=C(C=CC=C1)F Z56823442 [1,0,0,0,0,0|1,0,0]=2 58 B12R1.125 O=C(O)COC1=C(C=CC=C1)O Z56869464 [1,0,0,0,0,0|1,0,0]=2 59 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Br Z56827233 [1,0,0,0,0,0|1,1,0]=3 60 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Cl Z55903470 [1,0,0,0,0,0|1,1,0]=3 61 B12R1.125 O=C(O)CSC1=C(C=CC=C1)F Z55903942 [1,0,0,0,0,0|1,1,0]=3 62 B12R1.125 O=C(O)CSC1=C(C=CC=C1)O Z905204160 [1,0,0,0,0,0|1,1,0]=3 63 B12R1.125 O=C(O)CSC1=[N+](C=CC=C1)[O-] Z55903473 [1,0,0,0,0,0|2,1,0]=4 64 B12R1.1631 C#CCNC1=C(C=CC=C1C)C Z975898904 [1,0,0,0,0,0|2,0,1]=4 65 B12R1.1631 CC1=CC=CC(=C1OCCBr)C Z56960246 [1,0,0,0,0,0|1,0,1]=3 66 B12R1.1631 CC1=CC=CC(=C1OCCN)C Z425449774 [1,0,0,0,0,0|1,0,1]=3 67 B12R1.1631 CC1=CC=CC(=C1OCCO)C Z425795494 [1,0,0,0,0,0|0,0,1]=2 68 B12R1.1631 O=CCCC1=C(C=CC=C1Cl)Cl Z993017858 [1,0,0,0,0,0|3,0,0]=4 69 B12R1.1631 O=CCCC1=C(C=CC=C1Cl)F Z993017832 [1,0,0,0,0,0|3,0,0]=4 70 B14R1.3152 CC1=C(C(=CC(=C1)Br)Cl)OCC(=O)N Z16107941 [0,1,0,0,0,0|2,0,0]=3 71 B14R1.3152 CC1=C(C(=CC(=C1)Br)Cl)OCC(=O)O Z55928805 [0,1,0,0,0,0|1,0,0]=2 72 B14R1.3152 CC1=C(C(=CC(=C1)Cl)Cl)OCC(=O)O Z57441717 [0,1,0,0,0,0|1,0,0]=2 73 B14R1.3152 CC1=CC(=C(C(=C1)C)OCC(=O)O)C Z56899215 [0,1,0,0,0,0|0,0,0]=1 74 B14R1.3152 CC1=CC(=CC(=C1OCC(=O)O)C)Cl Z56904661 [0,1,0,0,0,0|0,0,0]=1 75 B14R1.3152 CC1=CC(=CC(=O)N1CCC(=O)O)O Z1198180051 [0,1,0,0,0,0|3,0,0]=4 76 B14R1.3152 CC1=NC(=NC(=C1CCC(=O)O)C)S Z94601314 [0,1,0,0,0,0|3,0,0]=4 77 B14R1.3152 CC1=NC(=O)NC(=C1CCC(=O)O)C Z432102204 [0,1,0,0,0,0|3,0,0]=4 78 B14R1.3152 NC(=O)COC1=C(C=C(C=C1Cl)Cl)Cl Z26343345 [0,1,0,0,0,0|3,0,0]=4 79 B14R1.3152 NC(=O)COC1=C(C=C(C=C1F)F)Br Z1651637958 [0,1,0,0,0,0|3,0,0]=4 80 B14R1.3152 O=C(O)CCC1=C(C=C(C=C1Cl)Cl)Cl Z3583030580 [0,1,0,0,0,0|3,0,0]=4 81 B14R1.3152 O=C(O)COC1=C(C=C(C=C1Cl)Cl)Cl Z228583320 [0,1,0,0,0,0|2,0,0]=3 82 B14R1.5958 N[C@@H](CC(=O)O)C1=C(C=CC=C1F)F Z756925598 [0,1,0,0,0,0|3,0,0]=4 83 B14R1.5958 N[C@H](CC(=O)O)C1=C(C=CC=C1F)F Z1696822758 [0,1,0,0,0,0|3,0,0]=4 84 B14R1.5971 CC1=CC=CC(=C1NC(=O)C(=O)O)C Z424779524 [0,1,0,0,0,0|1,0,1]=3 85 B14R1.5971 NC(CC1=C(C=CC=C1F)Cl)C(=O)O Z821053942 [0,1,0,0,0,0|3,0,0]=4 86 B14R1.5971 O=C(O)C(O)CC1=C(C=CC=C1F)Cl Z1269030527 [0,1,0,0,0,0|3,0,0]=4 87 B14R1.6054 CC1=C(C(=C(C=C1)C)OCC(=O)N)C Z25637733 [0,1,0,0,0,0|1,0,0]=2 88 B14R1.6054 NC(=O)COC1=C(C(=CC=C1Cl)Cl)Br Z1999792691 [0,1,0,0,0,0|3,0,0]=4 89 B14R1.19598 CC1=CC=CC(=C1OCC(=O)NN)C Z56939143 [0,1,0,0,0,0|1,0,0]=2 90 B14R1.19598 CC1=CC=CC(=C1OCC(O)CN)C Z271072240 [0,1,0,0,0,0|1,0,1]=3 91 B14R1.19598 CNC(=O)COC1=C(C=CC=C1Br)Br Z898572464 [0,1,0,0,0,0|3,0,0]=4 92 B14R1.19598 COC(=O)CCC1=C(C=CC=C1Cl)Cl Z1269215452 [0,1,0,0,0,0|3,0,0]=4 93 B14R2.717 CC1=CC=CC(=C1OCC2CO2)C Z104492282 [0,0,0,1,0,0|1,0,1]=3 94 B14R2.7969 CC1=C2C=C(NC2=CC=C1)C(=O)O Z119989626 [0,0,0,1,0,0|2,0,1]=4 95 B14R2.7969 CC1=C2C=C(OC2=CC=C1)C(=O)O Z1262514439 [0,0,0,1,0,0|2,0,1]=4 96 B14R2.7969 CC1=C2CC(NC2=CC=C1)C(=O)O Z2695869272 [0,0,0,1,0,0|2,0,0]=3 97 B14R2.7969 CC1=C2CC(OC2=CC=C1)C(=O)O Z1262544184 [0,0,0,1,0,0|2,0,0]=3 98 B14R2.7969 CC1=C2NC(=CC2=CC=C1)C(=O)O Z285234008 [0,0,0,1,0,0|1,0,2]=4 99 B14R2.7969 CC1=C2OC(=CC2=CC=C1)C(=O)O Z406682014 [0,0,0,1,0,0|0,0,2]=3 100 B14R2.7969 CC1=C2OC(CC2=CC=C1)C(=O)O Z1262521699 [0,0,0,1,0,0|0,0,0]=1 101 B14R2.7969 CC1=C2SC(=CC2=CC=C1)C(=O)O Z1504672143 [0,0,0,1,0,0|0,1,2]=4 102 B14R2.7969 O=C(O)C1=CC2=C(O1)C(=CC=C2)Br Z393620108 [0,0,0,1,0,0|1,0,2]=4 103 B14R2.7969 O=C(O)C1=CC2=C(O1)C(=CC=C2)Cl Z406682018 [0,0,0,1,0,0|1,0,2]=4 104 B14R2.7969 O=C(O)C1=CC2=C(O1)C(=CC=C2)F Z406682016 [0,0,0,1,0,0|1,0,2]=4 105 B14R2.7969 O=C(O)C1CC2=C(C=CC=C2O1)F Z1813140041 [0,0,0,1,0,0|3,0,0]=4 106 B14R2.7969 O=C(O)C1CC2=C(C=CC=C2S1)F Z228589552 [0,0,0,1,0,0|3,0,0]=4 107 B14R2.7969 O=C(O)C1CC2=C(O1)C(=CC=C2)F Z1259128059 [0,0,0,1,0,0|1,0,0]=2 108 B14R2.9037 CC1=CC=CC(=C1C2CC(=O)N2)C Z1525504841 [0,0,0,1,0,0|2,0,0]=3 109 B12R1.895 CC1=CC=C(N1CCC(=O)O)C Z245326704 [0,0,0,0,1,0|2,0,0]=3 110 B12R1.895 CC1=NNC(=C1CCC(=O)O)C Z57985394 [0,0,0,0,1,0|3,0,0]=4 111 B12R1.895 CC1=NNC(=C1SCC(=O)O)C Z90660985 [0,0,0,0,1,0|2,1,0]=4 112 B12R1.895 CC1=NOC(=C1CCC(=O)O)C Z57981094 [0,0,0,0,1,0|3,0,0]=4 113 B12R1.1009 CC(=O)CC1=C(C=CC=C1Cl)Cl Z858029228 [0,0,0,0,1,0|3,0,0]=4 114 B12R1.1009 CC1=C(C(=CC=C1)Cl)CC(=O)O Z1255430731 [0,0,0,0,1,0|1,0,0]=2 115 B12R1.1009 CC1=C(C(=CC=C1)F)CC(=O)O Z1255489762 [0,0,0,0,1,0|1,0,0]=2 116 B12R1.1009 CC1=CC=CC(=C1CC(=O)O)C Z1198167156 [0,0,0,0,1,0|0,0,0]=1 117 B12R1.1009 CC1=CC=CC(=C1NC(=S)N)C Z56960307 [0,0,0,0,1,0|2,1,0]=4 118 B12R1.1009 CC1=NC=NC(=C1CC(=O)O)C Z2489383750 [0,0,0,0,1,0|2,0,0]=3 119 B12R1.1009 NC(=O)CC1=C(C=CC=C1Cl)Cl Z33546774 [0,0,0,0,1,0|3,0,0]=4 120 B12R1.1009 NC(=O)CC1=C(C=CC=C1F)Cl Z33546661 [0,0,0,0,1,0|3,0,0]=4 121 B12R1.1009 NC(=O)CC1=C(C=CC=C1F)F Z1389112660 [0,0,0,0,1,0|3,0,0]=4 122 B12R1.1009 O=C(O)CC1=C(C=CC=C1Cl)Br Z1551916621 [0,0,0,0,1,0|2,0,0]=3 123 B12R1.1009 O=C(O)CC1=C(C=CC=C1Cl)Cl Z104478552 [0,0,0,0,1,0|2,0,0]=3 124 B12R1.1009 O=C(O)CC1=C(C=CC=C1F)Cl Z57044264 [0,0,0,0,1,0|2,0,0]=3 125 B12R1.1009 O=C(O)CC1=C(C=CC=C1F)F Z362118786 [0,0,0,0,1,0|2,0,0]=3 126 B12R1.1009 O=C(O)CC1=C(C=NC=C1F)Cl Z1255367200 [0,0,0,0,1,0|3,0,0]=4 127 B14R1.4920 CC1=CC=CC(=C1OCCC(=O)O)C Z240085224 [0,0,0,0,0,1|0,0,0]=1 128 B14R1.4920 O=C(O)CCCC1=C(C=CC=C1F)F Z1209411169 [0,0,0,0,0,1|3,0,0]=4 129 B14R1.4920 O=C(O)CCOC1=C(C=CC=C1F)Cl Z1566047453 [0,0,0,0,0,1|2,0,0]=3 130 B14R1.4920 O=C(O)CNCC1=C(C=CC=C1F)Cl Z363999392 [0,0,0,0,0,1|3,0,0]=4 131 B11R1.17 CC1=C(C=CC=C1)CCCO Z979436644 [2,0,0,0,0,0|1,0,1]=4 132 B11R1.17 CC1=C(C=CC=C1)OCC#N Z53791706 [2,0,0,0,0,0|1,0,1]=4 133 B11R1.17 CC1=C(C=CC=C1)OCCN Z223656356 [2,0,0,0,0,0|1,0,1]=4 134 B11R1.17 CC1=C(C=NC=C1)CCC=O Z1270653786 [2,0,0,0,0,0|2,0,0]=4 135 B11R1.17 NC1=C(C=CC=C1)OCCO Z3445703033 [2,0,0,0,0,0|1,0,1]=4 136 B11R1.17 O=CCCC1=C(C=CC=C1)F Z993017602 [2,0,0,0,0,0|2,0,0]=4 137 B11R1.17 OCCOC1=C(C=CC=C1)Br Z149303034 [2,0,0,0,0,0|1,0,1]=4 138 B11R1.17 OCCOC1=C(C=CC=C1)F Z425795714 [2,0,0,0,0,0|1,0,1]=4 139 B11R1.17 OCCOC1=C(C=CC=C1)O Z56755902 [2,0,0,0,0,0|1,0,1]=4 140 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [2,0,0,0,0,0|1,1,0]=4 141 B11R1.91 N=C(N)COC1=CC=CC=C1 Z1532540938 [2,0,0,0,0,0|2,0,0]=4 142 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [2,0,0,0,0,0|2,0,0]=4 143 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [2,0,0,0,0,0|2,0,0]=4 144 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [2,0,0,0,0,0|1,0,0]=3 145 B11R1.91 NC(=O)COC1=CN=CC=C1 Z336080090 [2,0,0,0,0,0|2,0,0]=4 146 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [2,0,0,0,0,0|1,1,0]=4 147 B11R1.91 NC(=S)COC1=CC=CC=C1 Z108595128 [2,0,0,0,0,0|1,1,0]=4 148 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [2,0,0,0,0,0|1,0,1]=4 149 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [2,0,0,0,0,0|1,0,1]=4 150 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [2,0,0,0,0,0|1,0,0]=3 151 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [2,0,0,0,0,0|2,0,0]=4 152 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [2,0,0,0,0,0|2,0,0]=4 153 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [2,0,0,0,0,0|2,0,0]=4 154 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [2,0,0,0,0,0|1,0,0]=3 155 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [2,0,0,0,0,0|2,0,0]=4 156 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [2,0,0,0,0,0|2,0,0]=4 157 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [2,0,0,0,0,0|2,0,0]=4 158 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [2,0,0,0,0,0|0,0,0]=2 159 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [2,0,0,0,0,0|1,0,0]=3 160 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [2,0,0,0,0,0|0,1,0]=3 161 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [2,0,0,0,0,0|1,1,0]=4 162 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [2,0,0,0,0,0|1,1,0]=4 163 B11R1.91 O=C([O-])COC1=NC=CC=C1 Z2989350877 [2,0,0,0,0,0|1,0,1]=4 164 B11R1.605 CC1=CC=CC(=C1CCO)C Z1198264906 [2,0,0,0,0,0|0,0,1]=3 165 B11R1.605 CNCC1=C(C=CC=C1C)C Z2932033934 [2,0,0,0,0,0|2,0,0]=4 166 B13R1.90 CC(O)COC1=C(C=CC=C1)CN Z1695784079 [1,1,0,0,0,0|1,0,1]=4 167 B13R1.90 CCC1=C(C=CC=C1)OCC(=O)O Z56827322 [1,1,0,0,0,0|0,0,0]=2 168 B13R1.90 COC1=C(C=CC=C1)/C=C/C(=O)O Z2311574127 [1,1,0,0,0,0|1,0,1]=4 169 B13R1.90 COC1=C(C=CC=C1)CCC(=O)O Z56943761 [1,1,0,0,0,0|1,0,0]=3 170 B13R1.90 COC1=C(C=CC=C1)NCC(=O)O Z274534682 [1,1,0,0,0,0|1,0,0]=3 171 B13R1.90 COC1=C(C=CC=C1)OCC(=O)C Z19753986 [1,1,0,0,0,0|1,0,0]=3 172 B13R1.90 COC1=C(C=CC=C1)OCC(=O)O Z56867227 [1,1,0,0,0,0|0,0,0]=2 173 B13R1.90 COC1=C(C=CC=C1)SCC(=O)O Z802638514 [1,1,0,0,0,0|0,1,0]=3 174 B13R1.90 N#CC1=C(C=CC=C1)CCC(=O)O Z227834792 [1,1,0,0,0,0|1,0,1]=4 175 B13R1.90 N#CC1=C(C=CC=C1)OCC(=O)O Z56824601 [1,1,0,0,0,0|0,0,1]=3 176 B13R1.90 N#CC1=C(C=CC=C1)SCC(=O)O Z335292558 [1,1,0,0,0,0|0,1,1]=4 177 B13R1.90 NC(=O)COC1=C(C=CC=C1)C=O Z19659059 [1,1,0,0,0,0|1,0,1]=4 178 B13R1.90 NCC1=C(C=CC=C1)CCC(=O)O Z3282061068 [1,1,0,0,0,0|1,0,0]=3 179 B13R1.90 O=CC1=C(C=CC=C1)OCC(=O)O Z57313877 [1,1,0,0,0,0|0,0,1]=3 180 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)N)C Z24763255 [1,1,0,0,0,0|1,0,0]=3 181 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)O)C Z56911972 [1,1,0,0,0,0|0,0,0]=2 182 B13R1.150 CC1=C(C=CC=C1Br)CCC(=O)O Z1269241873 [1,1,0,0,0,0|1,0,0]=3 183 B13R1.150 CC1=C(C=CC=C1Cl)NCC(=O)N Z104698544 [1,1,0,0,0,0|2,0,0]=4 184 B13R1.150 CC1=C(C=CC=C1Cl)OCC(=O)O Z1209414269 [1,1,0,0,0,0|0,0,0]=2 185 B13R1.150 NC(=O)COC1=C(C(=CC=C1)Cl)Cl Z18533326 [1,1,0,0,0,0|2,0,0]=4 186 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Br)Cl Z1269176762 [1,1,0,0,0,0|2,0,0]=4 187 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Br)F Z1269150982 [1,1,0,0,0,0|2,0,0]=4 188 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Cl)Br Z1269140493 [1,1,0,0,0,0|2,0,0]=4 189 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Cl)Cl Z317038008 [1,1,0,0,0,0|2,0,0]=4 190 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)F)Br Z1269177313 [1,1,0,0,0,0|2,0,0]=4 191 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)F)F Z445167886 [1,1,0,0,0,0|2,0,0]=4 192 B13R1.150 O=C(O)COC1=C(C(=CC=C1)Br)Cl Z3464018015 [1,1,0,0,0,0|1,0,0]=3 193 B13R1.150 O=C(O)COC1=C(C(=CC=C1)Cl)Cl Z65586632 [1,1,0,0,0,0|1,0,0]=3 194 B13R1.164 CC1=C(C=CC(=C1)Br)NCC(=O)O Z359505880 [1,1,0,0,0,0|1,0,0]=3 195 B13R1.164 CC1=C(C=CC(=C1)Br)SCC(=O)O Z56790608 [1,1,0,0,0,0|0,1,0]=3 196 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)N Z18757418 [1,1,0,0,0,0|1,0,0]=3 197 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)O Z56824184 [1,1,0,0,0,0|0,0,0]=2 198 B13R1.164 CC1=C(C=CC(=C1)F)CCC(=O)O Z959351776 [1,1,0,0,0,0|1,0,0]=3 199 B13R1.164 CC1=CC(=C(C=C1)/C=C/C(=O)O)C Z2312274886 [1,1,0,0,0,0|1,0,1]=4 200 B13R1.164 CC1=CC(=C(C=C1)CCC(=O)N)C Z217351214 [1,1,0,0,0,0|2,0,0]=4 201 B13R1.164 CC1=CC(=C(C=C1)CCC(=O)O)Br Z1269174749 [1,1,0,0,0,0|2,0,0]=4 202 B13R1.164 CC1=CC(=C(C=C1)CCC(=O)O)C Z203050914 [1,1,0,0,0,0|1,0,0]=3 203 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)N)Br Z18249661 [1,1,0,0,0,0|2,0,0]=4 204 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)N)C Z17497975 [1,1,0,0,0,0|1,0,0]=3 205 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)N)I Z1302477900 [1,1,0,0,0,0|2,0,0]=4 206 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)O)Br Z57203202 [1,1,0,0,0,0|1,0,0]=3 207 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)O)C Z57041994 [1,1,0,0,0,0|0,0,0]=2 208 B13R1.164 CC1=CC(=C(C=C1)SCC(=O)N)C Z25047836 [1,1,0,0,0,0|1,1,0]=4 209 B13R1.164 CC1=CC(=C(C=C1)SCC(=O)O)C Z55903769 [1,1,0,0,0,0|0,1,0]=3 210 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Br)Br Z19738663 [1,1,0,0,0,0|2,0,0]=4 211 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Br)F Z25117855 [1,1,0,0,0,0|2,0,0]=4 212 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Cl)Br Z25078285 [1,1,0,0,0,0|2,0,0]=4 213 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Cl)Cl Z19743974 [1,1,0,0,0,0|2,0,0]=4 214 B13R1.164 NC(=O)COC1=C(C=C(C=C1)F)Br Z25081029 [1,1,0,0,0,0|2,0,0]=4 215 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Br)F Z405046664 [1,1,0,0,0,0|2,0,0]=4 216 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)Br Z1269115792 [1,1,0,0,0,0|2,0,0]=4 217 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)Cl Z314668406 [1,1,0,0,0,0|2,0,0]=4 218 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)F Z1269172595 [1,1,0,0,0,0|2,0,0]=4 219 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)Br Z426022210 [1,1,0,0,0,0|2,0,0]=4 220 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)Cl Z426022268 [1,1,0,0,0,0|2,0,0]=4 221 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)F Z317037934 [1,1,0,0,0,0|2,0,0]=4 222 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Br)Cl Z57050133 [1,1,0,0,0,0|1,0,0]=3 223 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Br)F Z56923270 [1,1,0,0,0,0|1,0,0]=3 224 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)Br Z56924479 [1,1,0,0,0,0|1,0,0]=3 225 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)Cl Z56771026 [1,1,0,0,0,0|1,0,0]=3 226 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)F Z1416161884 [1,1,0,0,0,0|1,0,0]=3 227 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)Br Z56923211 [1,1,0,0,0,0|1,0,0]=3 228 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)Cl Z65572085 [1,1,0,0,0,0|1,0,0]=3 229 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)F Z239874904 [1,1,0,0,0,0|1,0,0]=3 230 B13R1.164 O=C(O)COC1=C(C=C(C=C1)I)Br Z5018658198 [1,1,0,0,0,0|1,0,0]=3 231 B13R1.164 O=C(O)CSC1=C(C=C(C=C1)Cl)Cl Z1269124447 [1,1,0,0,0,0|1,1,0]=4 232 B13R1.164 O=C(O)CSC1=C(C=C(C=C1)F)F Z92456882 [1,1,0,0,0,0|1,1,0]=4 233 B13R1.201 CC(CC(=O)O)C1=C(C=CC=C1)Br Z729841796 [1,1,0,0,0,0|2,0,0]=4 234 B13R1.201 CC(CC(=O)O)C1=C(C=CC=C1)F Z352782394 [1,1,0,0,0,0|2,0,0]=4 235 B13R1.201 CC1=C(C=CC=C1)/C(=C/C(=O)O)/C Z352748716 [1,1,0,0,0,0|1,0,1]=4 236 B13R1.201 CC1=C(C=CC=C1)C(C)CC(=O)O Z352782580 [1,1,0,0,0,0|1,0,0]=3 237 B13R1.201 CC1=C(C=CC=C1)C(N)CC(=O)O Z317027322 [1,1,0,0,0,0|1,0,0]=3 238 B13R1.201 CC1=C(C=CC=C1)[C@@H](N)CC(=O)O Z1270399998 [1,1,0,0,0,0|1,0,0]=3 239 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)Cl Z56854346 [1,1,0,0,0,0|2,0,0]=4 240 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)F Z56782527 [1,1,0,0,0,0|2,0,0]=4 241 B13R1.202 CC(CC1=C(C=CC=C1)Cl)C(=O)O Z513661398 [1,1,0,0,0,0|2,0,0]=4 242 B13R1.202 CC(CC1=C(C=CC=C1)F)C(=O)O Z513661176 [1,1,0,0,0,0|2,0,0]=4 243 B13R1.202 CC(OC1=C(C=CC=C1)Br)C(=O)O Z228583522 [1,1,0,0,0,0|1,0,0]=3 244 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)N Z19726502 [1,1,0,0,0,0|2,0,0]=4 245 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O Z65532924 [1,1,0,0,0,0|1,0,0]=3 246 B13R1.202 CC(OC1=C(C=CC=C1)F)C(=O)O Z65532537 [1,1,0,0,0,0|1,0,0]=3 247 B13R1.202 CC(SC1=C(C=CC=C1)Cl)C(=O)O Z56278782 [1,1,0,0,0,0|1,1,0]=4 248 B13R1.202 CC1=C(C=CC=C1)CC(C)C(=O)O Z513660952 [1,1,0,0,0,0|1,0,0]=3 249 B13R1.202 CC1=C(C=CC=C1)OC(C)C(=O)N Z19733750 [1,1,0,0,0,0|1,0,0]=3 250 B13R1.202 NC(CC1=C(C=CC=C1)Br)C(=O)O Z2217033050 [1,1,0,0,0,0|2,0,0]=4 251 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O Z1065645436 [1,1,0,0,0,0|2,0,0]=4 252 B13R1.202 O=C(O)C(O)CC1=C(C=CC=C1)Cl Z1269030424 [1,1,0,0,0,0|2,0,0]=4 253 B13R1.528 CC1=C(C=CC=C1)OCC(=O)NN Z56869405 [1,1,0,0,0,0|1,0,0]=3 254 B13R1.528 CNC(=O)CNC1=C(C=CC=C1)C Z104590808 [1,1,0,0,0,0|2,0,0]=4 255 B13R1.528 CNC(=O)COC1=C(C=CC=C1)Br Z17828979 [1,1,0,0,0,0|2,0,0]=4 256 B13R1.528 CNC(=O)COC1=C(C=CC=C1)C Z19733600 [1,1,0,0,0,0|1,0,0]=3 257 B13R1.528 CNC(=O)COC1=C(C=CC=C1)Cl Z19726352 [1,1,0,0,0,0|2,0,0]=4 258 B13R1.528 CNC(=O)COC1=C(C=CC=C1)F Z19724524 [1,1,0,0,0,0|2,0,0]=4 259 B13R1.528 CNC(=O)COC1=C(C=CC=C1)O Z32016981 [1,1,0,0,0,0|2,0,0]=4 260 B13R1.528 COC(=O)COC1=C(C=CC=C1)Br Z54831244 [1,1,0,0,0,0|1,0,0]=3 261 B13R1.528 COC(=O)CSC1=C(C=CC=C1)O Z905204662 [1,1,0,0,0,0|1,1,0]=4 262 B13R1.528 NNC(=O)COC1=C(C=CC=C1)Cl Z56867221 [1,1,0,0,0,0|2,0,0]=4 263 B13R1.528 NNC(=O)COC1=C(C=CC=C1)F Z56823441 [1,1,0,0,0,0|2,0,0]=4 264 B13R1.528 NNC(=O)COC1=C(C=CC=C1)O Z56767604 [1,1,0,0,0,0|2,0,0]=4 265 B13R1.528 O=C(COC1=C(C=CC=C1)O)NO Z57931373 [1,1,0,0,0,0|1,0,0]=3 266 B13R1.893 CC1=C(C=C(C=C1)Cl)NCC(=O)N Z105004294 [1,1,0,0,0,0|2,0,0]=4 267 B13R1.893 CC1=C(C=C(C=C1)Cl)OCC(=O)O Z274764854 [1,1,0,0,0,0|0,0,0]=2 268 B13R1.893 CC1=C(C=C(C=C1)F)NCC(=O)N Z104831288 [1,1,0,0,0,0|2,0,0]=4 269 B13R1.893 CC1=CC(=C(C=C1)C)NCC(=O)N Z104549838 [1,1,0,0,0,0|2,0,0]=4 270 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)N Z18468017 [1,1,0,0,0,0|1,0,0]=3 271 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O Z56820968 [1,1,0,0,0,0|0,0,0]=2 272 B13R1.893 CC1=CC(=C(C=C1)C)SCC(=O)O Z55903768 [1,1,0,0,0,0|0,1,0]=3 273 B13R1.893 CC1=CC(=C(C=C1)Cl)OCC(=O)N Z16115067 [1,1,0,0,0,0|2,0,0]=4 274 B13R1.893 CC1=CC(=C(C=C1)Cl)OCC(=O)O Z56899213 [1,1,0,0,0,0|1,0,0]=3 275 B13R1.893 CC1=CC(=C(C=C1)F)OCC(=O)O Z1250417296 [1,1,0,0,0,0|1,0,0]=3 276 B13R1.893 NC(=O)COC1=C(C=CC(=C1)Cl)Cl Z14775230 [1,1,0,0,0,0|2,0,0]=4 277 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)Br)F Z426022294 [1,1,0,0,0,0|2,0,0]=4 278 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)Cl)Br Z1269137463 [1,1,0,0,0,0|2,0,0]=4 279 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)F)Br Z426022162 [1,1,0,0,0,0|2,0,0]=4 280 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)F)F Z415635744 [1,1,0,0,0,0|2,0,0]=4 281 B13R1.893 O=C(O)COC1=C(C=CC(=C1)Cl)Cl Z57455032 [1,1,0,0,0,0|1,0,0]=3 282 B13R1.893 O=C(O)COC1=C(C=CC(=C1)Cl)O Z56788158 [1,1,0,0,0,0|1,0,0]=3 283 B13R1.893 O=C(O)COC1=C(C=CC(=C1)F)F Z1117890486 [1,1,0,0,0,0|1,0,0]=3 284 B13R1.893 O=C(O)CSC1=C(C=CC(=C1)Cl)Cl Z55903787 [1,1,0,0,0,0|1,1,0]=4 285 B13R1.893 O=C(O)CSC1=C(C=CC(=C1)F)F Z92608891 [1,1,0,0,0,0|1,1,0]=4 286 B13R1.1601 CC1=CC(=C(C(=C1)C)/C=C/C=O)C Z1198173345 [1,1,0,0,0,0|1,0,1]=4 287 B13R1.8919 CC#CCOC1=C(C=CC=C1C)C Z1566301732 [1,1,0,0,0,0|1,0,1]=4 288 B13R1.8919 CC1=C(C(=CC=C1)Cl)OCCCO Z1601637505 [1,1,0,0,0,0|1,0,1]=4 289 B13R1.8919 CC1=CC=CC(=C1CNCCO)C Z4502811190 [1,1,0,0,0,0|1,0,1]=4 290 B13R1.8919 CC1=CC=CC(=C1OCCCN)C Z815264262 [1,1,0,0,0,0|1,0,1]=4 291 B13R1.3467 CC1=NN(C(=C1OCC(=O)O)C)C Z1266825383 [0,1,0,0,1,0|2,0,0]=4 292 B13R1.885 CC(=O)NC1=C(C(=CC=C1C)N)C Z763029846 [0,1,0,0,1,0|2,0,0]=4 293 B13R1.885 O=C(O)CC1=C(C(=CC=C1Cl)O)Cl Z2310983643 [0,1,0,0,1,0|2,0,0]=4 294 B13R1.885 O=C(O)CC1=C(C(=CC=C1F)Br)F Z1269116160 [0,1,0,0,1,0|2,0,0]=4 295 B13R1.885 O=C(O)CC1=C(C(=CC=C1F)F)Br Z2310164842 [0,1,0,0,1,0|2,0,0]=4 296 B13R1.885 O=C(O)CC1=C(C=CC(=C1F)F)Br Z1269238280 [0,1,0,0,1,0|2,0,0]=4 297 B13R1.2135 COC1=C(C(=CC=C1)Cl)CC(=O)O Z1269125423 [0,1,0,0,1,0|1,0,0]=3 298 B13R1.2135 CSC1=C(C(=CC=C1)Br)CC(=O)O Z1551949286 [0,1,0,0,1,0|1,0,0]=3 299 B13R1.2135 N#CC1=C(C(=CC=C1)F)CC(=O)O Z1255434549 [0,1,0,0,1,0|1,0,1]=4 300 B13R1.2808 CC(=O)NC1=C(C=C(C=C1C)Br)C Z509521886 [0,1,0,0,1,0|2,0,0]=4 301 B13R1.2808 CC(=O)NC1=C(C=C(C=C1C)O)C Z56871774 [0,1,0,0,1,0|2,0,0]=4 302 B13R1.2808 CC1=CC(=CC(=C1CC(=O)O)C)Br Z1813196628 [0,1,0,0,1,0|0,0,0]=2 303 B13R1.2808 CC1=CC(=CC(=C1CC(=O)O)C)O Z1262518831 [0,1,0,0,1,0|0,0,0]=2 304 B13R1.2808 CC1=CC(=CC(=O)N1CC(=O)O)O Z1198182296 [0,1,0,0,1,0|2,0,0]=4 305 B13R1.2808 CC1=NC(=O)NC(=C1CC(=O)O)C Z119993908 [0,1,0,0,1,0|2,0,0]=4 306 B13R1.2808 NC1=CC(=C(C(=C1)F)CC(=O)O)F Z5047432469 [0,1,0,0,1,0|2,0,0]=4 307 B13R1.2808 O=C(O)CC1=C(C=C(C=C1Cl)Cl)Cl Z1269113504 [0,1,0,0,1,0|2,0,0]=4 308 B13R1.2808 O=C(O)CC1=C(C=C(C=C1F)Br)F Z1269210462 [0,1,0,0,1,0|2,0,0]=4 309 B13R1.3788 CC1=CC=CC(=C1CS(=O)(=O)N)C Z1525491547 [0,1,0,0,1,0|1,0,1]=4 310 B13R1.3789 CC(C(=O)O)C1=C(C=CC=C1Cl)Cl Z992202056 [0,1,0,0,1,0|2,0,0]=4 311 B13R1.3789 CC(C(=O)O)C1=C(C=CC=C1F)F Z1188090603 [0,1,0,0,1,0|2,0,0]=4 312 B13R1.3789 NC(C(=O)O)C1=C(C=CC=C1Cl)Cl Z317024586 [0,1,0,0,1,0|2,0,0]=4 313 B15R1.6616 C=C(COC1=C(C=CC=C1Br)C)C(=O)O Z3753116767 [0,1,0,0,0,1|1,0,0]=3 314 B15R1.6616 C=C(COC1=C(C=CC=C1Cl)Cl)C(=O)O Z1197868320 [0,1,0,0,0,1|2,0,0]=4 315 B15R1.6616 C=C(COC1=C(C=CC=C1F)F)C(=O)O Z1436540841 [0,1,0,0,0,1|2,0,0]=4 316 B15R1.25387 CC1=CC(=O)C=C(N1CCCC(=O)O)C Z1354602688 [0,1,0,0,0,1|2,0,0]=4 317 B15R1.1645 COC1=C(C(=CC=C1)C=O)OCC(=O)O Z57515862 [0,2,0,0,0,0|0,0,1]=3 318 B15R1.1645 COC1=CC=CC(=C1OCC(=O)N)OC Z25633161 [0,2,0,0,0,0|1,0,0]=3 319 B15R1.3552 CC1=CC(=C(C(=C1)C)CC(N)C(=O)O)C Z2211231166 [0,2,0,0,0,0|1,0,0]=3 320 B15R1.38791 CC1=CC(=C(C(=C1)C)NCC(=O)NN)C Z56989693 [0,2,0,0,0,0|2,0,0]=4 321 B15R1.38791 CNC(=O)COC1=C(C=C(C=C1C)Br)Cl Z16107667 [0,2,0,0,0,0|2,0,0]=4 322 B15R1.38791 CNC(=O)COC1=C(C=C(C=C1C)Cl)C Z30271161 [0,2,0,0,0,0|1,0,0]=3 323 B15R1.38791 COC(=O)/C=C/C1=C(C=C(C=C1C)C)C Z2738925428 [0,2,0,0,0,0|1,0,1]=4 324 B15R1.15580 CC1=CC(=C(C(=C1C)SCC(=O)N)C)C Z17914423 [0,2,0,0,0,0|1,1,0]=4 325 B13R1.149 CC1=CC(=CC=C1)COCC(=O)O Z1251362362 [0,0,1,1,0,0|0,0,2]=4 326 B13R1.342 C/C(=N\OCC(=O)O)/C1=CC=CS1 Z56808190 [0,0,1,1,0,0|2,0,0]=4 327 B13R1.3089 COC1=C(C=C(C=C1)C)CC(=O)O Z94601335 [0,0,1,1,0,0|2,0,0]=4 328 B13R2.33 O=C1C=CC2=C(C=CC=C2)OC1 Z1513599062 [1,0,0,1,0,0|1,0,1]=4 329 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 Z2235810278 [1,0,0,1,0,0|2,0,0]=4 330 B13R2.33 O=C1CCC2=C(C=CC=C2)CN1 Z1198153747 [1,0,0,1,0,0|2,0,0]=4 331 B13R2.216 CC1=C(C=CC=C1)C2CC(=O)C2 Z444348616 [1,0,0,1,0,0|2,0,0]=4 332 B13R2.435 NC(=O)C1CC2=C(N1)C=CC=C2 Z1255399804 [1,0,0,1,0,0|2,0,0]=4 333 B13R2.435 NC(=O)C1CC2=C(O1)C=CC=C2 Z116821856 [1,0,0,1,0,0|1,0,0]=3 334 B13R2.435 NC(=O)[C@@H]1CC2=C(N1)C=CC=C2 Z760046840 [1,0,0,1,0,0|2,0,0]=4 335 B13R2.435 O=C(O)C1=CC2=C(C1)C=CC=C2 Z1255423596 [1,0,0,1,0,0|1,0,1]=4 336 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=C2 Z56839706 [1,0,0,1,0,0|0,0,2]=4 337 B13R2.435 O=C(O)C1CC2=C(C1)C=CC=C2 Z607808530 [1,0,0,1,0,0|1,0,0]=3 338 B13R2.435 O=C(O)C1CC2=C(C1)C=NC=C2 Z2213893333 [1,0,0,1,0,0|2,0,0]=4 339 B13R2.435 O=C(O)C1CC2=C(C1)N=CC=C2 Z1262528380 [1,0,0,1,0,0|2,0,0]=4 340 B13R2.435 O=C(O)C1CC2=C(N1)C=CC=C2 Z343211224 [1,0,0,1,0,0|1,0,0]=3 341 B13R2.435 O=C(O)C1CC2=C(O1)C=CC=C2 Z104377952 [1,0,0,1,0,0|0,0,0]=2 342 B13R2.435 O=C(O)C1CC2=C(S1)C=CC=C2 Z221583708 [1,0,0,1,0,0|0,1,0]=3 343 B13R2.435 O=C(O)[C@@H]1CC2=C(N1)C=CC=C2 Z335079490 [1,0,0,1,0,0|1,0,0]=3 344 B13R2.3587 CC1=C(C=CC=C1)OCC2CO2 Z56346888 [1,0,0,1,0,0|1,0,1]=4 345 B13R2.4852 O=C(O)C1CC2=C(C=CC=C12)Cl Z1262515365 [1,0,0,1,0,0|2,0,0]=4 346 B13R2.5179 CC1=C2SCC(=O)NC2=CC=C1 Z1255359033 [1,0,0,1,0,0|1,1,0]=4 347 B13R2.5179 NC1=C2OCC(=O)NC2=CC=C1 Z1201625488 [1,0,0,1,0,0|2,0,0]=4 348 B13R2.5179 O=C1COC2=C(C=CC=C2N1)Br Z1269155269 [1,0,0,1,0,0|2,0,0]=4 349 B13R2.5179 O=C1COC2=C(C=CC=C2N1)Cl Z274568256 [1,0,0,1,0,0|2,0,0]=4 350 B13R2.5179 O=C1COC2=C(C=CC=C2N1)F Z1198233377 [1,0,0,1,0,0|2,0,0]=4 351 B13R2.4820 CC1=C2OCCNCC2=CC=C1 Z5089066697 [1,0,0,1,0,0|1,0,1]=4 352 B13R2.162 NC1=C2NC(=O)OCC2=CC=C1 Z1262673207 [0,0,0,1,1,0|2,0,0]=4 353 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Br Z1269110065 [0,0,0,1,1,0|2,0,0]=4 354 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Cl Z1198163928 [0,0,0,1,1,0|2,0,0]=4 355 B13R2.162 O=C1NCC2=CC=CC(=C2O1)Br Z2751295692 [0,0,0,1,1,0|2,0,0]=4 356 B13R2.162 O=C1NCC2=CC=CC(=C2O1)O Z2894089869 [0,0,0,1,1,0|2,0,0]=4 357 B15R2.13598 NC1=C2OCC(CC2=CC=C1)C(=O)O Z2310723134 [0,0,0,1,0,1|1,0,0]=3 358 B15R2.13598 O=C(O)C1=CC2=C(OC1)C(=CC=C2)O Z228588778 [0,0,0,1,0,1|1,0,1]=4 359 B15R2.13598 O=C(O)C1COC2=C(C1)C=CC=C2O Z228588504 [0,0,0,1,0,1|1,0,0]=3 360 B15R2.13463 CC1=C(OC2=C1C=CC=C2Br)C(=O)O Z384971960 [0,1,0,1,0,0|1,0,1]=4 361 B15R2.13463 CC1=C(OC2=C1C=CC=C2Cl)C(=O)O Z56886576 [0,1,0,1,0,0|1,0,1]=4 362 B15R2.13463 CC1=C(OC2=C1C=CC=C2F)C(=O)O Z85926237 [0,1,0,1,0,0|1,0,1]=4 363 B15R2.13463 CC1=CC=CC2=C1NC(=C2C)C(=O)O Z1255498389 [0,1,0,1,0,0|1,0,1]=4 364 B15R2.13463 CC1=CC=CC2=C1OC(=C2C)C(=O)O Z384972000 [0,1,0,1,0,0|0,0,1]=3 365 B15R2.13624 CC1=C2C(=CNC2=CC=C1)CC(=O)O Z978942564 [0,1,0,1,0,0|1,0,1]=4 366 B15R2.20824 COC1=C2CC(NC2=CC=C1)C(=O)O Z2805881506 [0,1,0,1,0,0|2,0,0]=4 367 B15R2.20824 COC1=C2OC(=CC2=CC=C1)C(=O)O Z111570848 [0,1,0,1,0,0|0,0,2]=4 368 B15R2.61353 O=C(O)C1CC2=C(C=CC=C2Br)CN1 Z2938294461 [0,1,0,1,0,0|2,0,0]=4 369 B15R2.61353 O=C(O)C1CNC2=C(O1)C(=CC=C2)Br Z5354531501 [0,1,0,1,0,0|1,0,0]=3 370 B15R2.15633 CC1=C2OC(=CC2=CC(=C1)Br)C(=O)O Z1098334213 [0,1,0,1,0,0|0,0,2]=4 371 B15R2.15646 CC1=C(C(=C(C=C1)C)OCC2CO2)C Z94601332 [0,1,0,1,0,0|1,0,1]=4 372 B15R2.1598 COC(=O)C1CC2=C(C1)C(=CC=C2)N Z1198335040 [0,1,0,1,0,0|2,0,0]=4 373 B15R2.1598 COC(=O)C1CC2=C(C=CC=C2N1)C Z2695869274 [0,1,0,1,0,0|2,0,0]=4 374 B11R1.86 CC(=O)CC1=C(C=CC=C1)C Z329711570 [1,0,0,0,1,0|1,0,0]=3 375 B11R1.86 CC(=O)CC1=C(C=CC=C1)Cl Z329711556 [1,0,0,0,1,0|2,0,0]=4 376 B11R1.86 CC(=O)CC1=C(C=CC=C1)I Z1335657335 [1,0,0,0,1,0|2,0,0]=4 377 B11R1.86 CC(=O)CC1=C(C=CC=C1)O Z1198152110 [1,0,0,0,1,0|2,0,0]=4 378 B11R1.86 CC(=O)CC1=C(C=NC=C1)C Z4958080575 [1,0,0,0,1,0|2,0,0]=4 379 B11R1.86 CC(=O)OC1=C(C=CC=C1)O Z1513803522 [1,0,0,0,1,0|2,0,0]=4 380 B11R1.86 CC1=C(C=CC=C1)CC(=N)N Z1374778803 [1,0,0,0,1,0|2,0,0]=4 381 B11R1.86 CC1=C(C=CC=C1)CC(=O)N Z52214433 [1,0,0,0,1,0|1,0,0]=3 382 B11R1.86 CC1=C(C=CC=C1)CC(=O)O Z104503424 [1,0,0,0,1,0|0,0,0]=2 383 B11R1.86 CC1=C(C=CC=N1)CC(=O)O Z2050687800 [1,0,0,0,1,0|1,0,0]=3 384 B11R1.86 CC1=C(C=NC=C1)CC(=O)O Z1198264460 [1,0,0,0,1,0|1,0,0]=3 385 B11R1.86 NC(=O)CC1=C(C=CC=C1)Cl Z33547171 [1,0,0,0,1,0|2,0,0]=4 386 B11R1.86 NC(=O)CC1=C(C=CC=C1)F Z33546803 [1,0,0,0,1,0|2,0,0]=4 387 B11R1.86 NC(=O)CC1=C(C=CC=C1)N Z239125326 [1,0,0,0,1,0|2,0,0]=4 388 B11R1.86 NC(=O)CC1=C(C=CC=C1)O Z1255356155 [1,0,0,0,1,0|2,0,0]=4 389 B11R1.86 NC1=C(C=CC=N1)CC(=O)O Z1889710265 [1,0,0,0,1,0|2,0,0]=4 390 B11R1.86 O=C(O)CC1=C(C=CC=C1)Br Z285184626 [1,0,0,0,1,0|1,0,0]=3 391 B11R1.86 O=C(O)CC1=C(C=CC=C1)Cl Z56911957 [1,0,0,0,1,0|1,0,0]=3 392 B11R1.86 O=C(O)CC1=C(C=CC=C1)F Z104495526 [1,0,0,0,1,0|1,0,0]=3 393 B11R1.86 O=C(O)CC1=C(C=CC=C1)I Z1269196288 [1,0,0,0,1,0|1,0,0]=3 394 B11R1.86 O=C(O)CC1=C(C=CC=C1)O Z608061328 [1,0,0,0,1,0|1,0,0]=3 395 B11R1.86 O=C(O)CC1=C(C=CN=C1)Cl Z2096659743 [1,0,0,0,1,0|2,0,0]=4 396 B11R1.86 O=C(O)CC1=C(C=CN=C1)O Z1255444750 [1,0,0,0,1,0|2,0,0]=4 397 B11R1.86 O=C(O)CC1=C(N=CC=C1)Br Z1269238080 [1,0,0,0,1,0|2,0,0]=4 398 B11R1.86 O=C(O)CN1C=CC=CC1=O Z57985357 [1,0,0,0,1,0|2,0,0]=4 399 B11R1.90 CN1C=CC=C1CCC(=O)O Z362827938 [1,0,0,0,1,0|2,0,0]=4 400 B11R1.495 CC1=C(N(N=C1)C)CC(=O)O Z3398485589 [0,0,0,0,2,0|2,0,0]=4 401 B11R1.495 CC1=CC=C(N1CC(=O)N)C Z90663565 [0,0,0,0,2,0|2,0,0]=4 402 B11R1.495 CC1=NNC(=C1CC(=O)O)C Z57683752 [0,0,0,0,2,0|2,0,0]=4 403 B11R1.495 CC1=NOC(=C1CC(=O)O)C Z85919065 [0,0,0,0,2,0|2,0,0]=4 404 B11R1.156 CC(=O)C1=C(C=CC=C1C)C Z1255450644 [0,0,0,0,2,0|1,0,0]=3 405 B11R1.156 CC1=C(C(=CC=C1)Br)C(=O)O Z1269193165 [0,0,0,0,2,0|1,0,0]=3 406 B11R1.156 CC1=C(C(=CC=C1)Cl)C(=O)O Z1201618083 [0,0,0,0,2,0|1,0,0]=3 407 B11R1.156 CC1=C(C(=CC=C1)F)C(=O)O Z600584284 [0,0,0,0,2,0|1,0,0]=3 408 B11R1.156 CC1=C(C(=CC=C1)I)C(=O)O Z1269218722 [0,0,0,0,2,0|1,0,0]=3 409 B11R1.156 CC1=C(C(=CC=C1)N)C(=O)N Z239872658 [0,0,0,0,2,0|2,0,0]=4 410 B11R1.156 CC1=C(C(=CC=C1)N)C(=O)O Z802851752 [0,0,0,0,2,0|1,0,0]=3 411 B11R1.156 CC1=C(C(=NC=C1)N)C(=O)O Z2755013695 [0,0,0,0,2,0|2,0,0]=4 412 B11R1.156 CC1=C(C(=O)NC=C1)C(=O)O Z1623872049 [0,0,0,0,2,0|2,0,0]=4 413 B11R1.156 CC1=CC=CC(=C1B(O)O)C Z336079988 [0,0,0,0,2,0|1,0,1]=4 414 B11R1.156 CC1=CC=CC(=C1C(=O)O)C Z1203161913 [0,0,0,0,2,0|0,0,0]=2 415 B11R1.156 CC1=CC=CC(=C1C(C)O)C Z1198147557 [0,0,0,0,2,0|1,0,1]=4 416 B11R1.156 CC1=CN=CC(=C1C(=O)O)C Z3035167085 [0,0,0,0,2,0|1,0,0]=3 417 B11R1.156 CC1=NC=CC(=C1C(=O)N)C Z1216840307 [0,0,0,0,2,0|2,0,0]=4 418 B11R1.156 CC1=NC=CC(=C1C(=O)O)C Z1198165251 [0,0,0,0,2,0|1,0,0]=3 419 B11R1.156 CC1=NC=NC(=C1C(=O)O)C Z1013702502 [0,0,0,0,2,0|2,0,0]=4 420 B11R1.156 NC1=C(C(=CC=C1)Br)C(=O)O Z228589666 [0,0,0,0,2,0|2,0,0]=4 421 B11R1.156 NC1=C(C(=CC=C1)Cl)C(=O)O Z995132230 [0,0,0,0,2,0|2,0,0]=4 422 B11R1.156 NC1=C(C(=CC=C1)F)C(=O)O Z424764636 [0,0,0,0,2,0|2,0,0]=4 423 B11R1.156 NC1=C(C(=CC=C1)I)C(=O)O Z1269190340 [0,0,0,0,2,0|2,0,0]=4 424 B11R1.156 O=C(O)C1=C(C=CC=C1Br)Br Z1269212695 [0,0,0,0,2,0|2,0,0]=4 425 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)Cl Z104475744 [0,0,0,0,2,0|2,0,0]=4 426 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)I Z1154247636 [0,0,0,0,2,0|2,0,0]=4 427 B11R1.156 O=C(O)C1=C(C=CC=C1F)Br Z1138557909 [0,0,0,0,2,0|2,0,0]=4 428 B11R1.156 O=C(O)C1=C(C=CC=C1F)Cl Z104473944 [0,0,0,0,2,0|2,0,0]=4 429 B11R1.156 O=C(O)C1=C(C=CC=C1F)F Z104476530 [0,0,0,0,2,0|2,0,0]=4 430 B11R1.156 O=C(O)C1=C(C=CC=C1F)I Z1269210908 [0,0,0,0,2,0|2,0,0]=4 431 B11R1.156 O=C(O)C1=C(C=CC=C1O)Cl Z385458816 [0,0,0,0,2,0|2,0,0]=4 432 B11R1.156 O=C(O)C1=C(C=CC=C1O)F Z1203162004 [0,0,0,0,2,0|2,0,0]=4 433 B11R1.156 O=C(O)C1=C(C=CC=C1O)I Z1269167194 [0,0,0,0,2,0|2,0,0]=4 434 B11R1.156 O=C(O)C1=C(C=CC=C1O)O Z1184885417 [0,0,0,0,2,0|2,0,0]=4 435 B13R1.158 CC(=O)NCCC1=C(C=CC=C1)C Z52314092 [1,0,0,0,0,1|2,0,0]=4 436 B13R1.158 CC1=C(C=CC=C1)CNCC(=O)O Z763366336 [1,0,0,0,0,1|1,0,0]=3 437 B13R1.158 CC1=C(C=CC=C1)COCC(=O)O Z1251362361 [1,0,0,0,0,1|0,0,0]=2 438 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)N Z68591167 [1,0,0,0,0,1|2,0,0]=4 439 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)O Z56922066 [1,0,0,0,0,1|1,0,0]=3 440 B13R1.158 CC1=C(C=CC=C1)OCCC(=O)O Z56805748 [1,0,0,0,0,1|0,0,0]=2 441 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)F Z33546164 [1,0,0,0,0,1|2,0,0]=4 442 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)N Z382711142 [1,0,0,0,0,1|2,0,0]=4 443 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O Z1982493918 [1,0,0,0,0,1|2,0,0]=4 444 B13R1.158 O=C(O)C/C=C/C1=C(C=CC=C1)F Z1354602491 [1,0,0,0,0,1|2,0,0]=4 445 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Br Z1097106913 [1,0,0,0,0,1|2,0,0]=4 446 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Cl Z1209411177 [1,0,0,0,0,1|2,0,0]=4 447 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)F Z1198171601 [1,0,0,0,0,1|2,0,0]=4 448 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Br Z295439184 [1,0,0,0,0,1|1,0,0]=3 449 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Cl Z206905212 [1,0,0,0,0,1|1,0,0]=3 450 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)F Z56922157 [1,0,0,0,0,1|1,0,0]=3 451 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)O Z1262518325 [1,0,0,0,0,1|1,0,0]=3 452 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Br Z293002250 [1,0,0,0,0,1|1,1,0]=4 453 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Cl Z56813499 [1,0,0,0,0,1|1,1,0]=4 454 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)F Z103229718 [1,0,0,0,0,1|1,1,0]=4 455 B13R1.158 O=C(O)COCC1=C(C=CC=C1)Cl Z316259048 [1,0,0,0,0,1|1,0,0]=3 456 B13R1.158 O=C(O)CSCC1=C(C=CC=C1)Cl Z19691784 [1,0,0,0,0,1|1,1,0]=4 457 B15R1.8290 CC(=O)NCCOC1=C(C=CC=C1C)C Z423100094 [0,0,0,0,0,2|1,0,0]=3