0 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 Z1201618094 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 Z1255485389 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 Z1255383314 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Z3234810419 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 Z31506242 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.36 CC(=O)N(C)C1=CC=NC=C1 Z1889797965 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.36 CC(=O)N(C)C1=CN=CC=C1 Z1203252645 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.36 CC(=O)N(C)C1=NC=CC=C1 Z223364322 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 Z1255506457 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.36 CC(C(=O)O)C1=CN=CC=C1 Z792377268 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.36 CC(C(=O)O)C1=CN=CN=C1 Z1860991554 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.36 CC(C(=O)[O-])C1=CC=NC=C1 Z2408359395 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.36 CC(C(=O)[O-])C1=NC=CC=N1 Z2216711550 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.36 CC(C)C(O)C1=NC=CC=C1 Z513749462 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.36 CC(N)C(C)C1=CC=CC=C1 Z1203578901 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.36 CC(N)C(O)C1=CC=NC=C1 Z1263602353 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Z2588063686 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.36 CN(C(=N)N)C1=CC=CC=C1 Z1269638527 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.36 CN(C(=O)N)C1=CN=CC=C1 Z1188339188 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.36 CN(O)C(=O)C1=CC=CC=C1 Z1416187404 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 Z5462337230 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.36 C[C@H](C(=O)O)C1=CN=CC=C1 Z5462556304 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 Z57069256 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 Z57204607 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.36 NC(=O)C(N)C1=NC=CC=C1 Z1251358507 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 Z147647142 [0,0,0,0,0,0|1,0,0]=1 26 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 Z815264186 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.36 NC(C1=CC=CC=C1)C(F)F Z2211231766 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 Z278101784 [0,0,0,0,0,0|1,0,0]=1 29 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 Z957336528 [0,0,0,0,0,0|1,0,0]=1 30 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 Z381360894 [0,0,0,0,0,0|0,0,2]=2 31 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 Z104495824 [0,0,0,0,0,0|1,0,0]=1 32 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 Z1203161992 [0,0,0,0,0,0|1,0,0]=1 33 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 Z104473974 [0,0,0,0,0,0|0,0,0]=0 34 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 Z808230894 [0,0,0,0,0,0|0,1,0]=1 35 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 Z1201618616 [0,0,0,0,0,0|0,0,0]=0 36 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 Z1255390767 [0,0,0,0,0,0|0,0,0]=0 37 B11R1.36 O=C([O-])C(O)C1=NC=CC=C1 Z2357023524 [0,0,0,0,0,0|1,0,1]=2 38 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [1,0,0,0,0,0|1,0,1]=3 43 B10R1.15 CCC(O)C1=CC=NC=C1 Z513749638 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.15 CN(N=O)C1=CC=CC=C1 Z87001980 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.15 N#CC(Br)C1=CC=CC=C1 Z1198157485 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 Z56827052 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [1,0,0,0,0,0|1,0,1]=3 50 B10R1.15 NC(CO)C1=CN=CC=C1 Z2350903961 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [1,0,0,0,0,0|1,0,1]=3 53 B10R1.15 NCC(O)C1=CN=CC=C1 Z336086578 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.15 NCC(O)C1=NC=CC=C1 Z802671456 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [1,0,0,0,0,0|1,0,1]=3 56 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [1,0,0,0,0,0|1,0,1]=3 57 B10R1.15 O=C(CO)C1=CC=CC=C1 Z906206792 [1,0,0,0,0,0|0,0,3]=4 58 B10R1.15 O=C(NO)C1=CC=CC=C1 Z56912029 [1,0,0,0,0,0|1,0,2]=4 59 B10R1.15 O=CC(=O)C1=CC=CC=C1 Z1954804411 [1,0,0,0,0,0|0,0,2]=3 60 B10R1.15 OCC(O)C1=CC=NC=C1 Z2736474279 [1,0,0,0,0,0|1,0,1]=3 61 B10R1.15 OCC(O)C1=NC=CC=C1 Z4985119178 [1,0,0,0,0,0|1,0,1]=3 62 B10R1.18 CC(=O)CC1=CC=NC=C1 Z992409812 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.18 CC(=O)CC1=NC=CN=C1 Z1098219337 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.18 CC(=O)NC1=CN=CC=C1 Z31791378 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [1,0,0,0,0,0|1,0,1]=3 68 B10R1.18 CC(O)CC1=CC=NC=C1 Z992409872 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.18 CC(O)CC1=NC=CC=C1 Z513750714 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.18 N=C(N)CC1=CC=NC=C1 Z2441004470 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.18 N=C(N)CC1=CN=CC=C1 Z2350941593 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [1,0,0,0,0,0|1,0,0]=2 74 B10R1.18 NC(=O)CC1=CC=NC=C1 Z234895093 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.18 NC(=O)CC1=CN=CN=C1 Z1203583458 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.18 NC(=O)NC1=NC=CC=C1 Z208358454 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [1,0,0,0,0,0|1,1,0]=3 79 B10R1.18 NC(=S)NC1=CC=CC=C1 Z57474172 [1,0,0,0,0,0|2,1,0]=4 80 B10R1.18 O=C(O)CC1=CC=NC=C1 Z271099418 [1,0,0,0,0,0|1,0,0]=2 81 B10R1.18 O=C(O)CC1=CN=CC=C1 Z285131558 [1,0,0,0,0,0|1,0,0]=2 82 B10R1.18 O=C(O)CC1=CN=CN=C1 Z1889902548 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 Z995236210 [1,0,0,0,0,0|1,0,1]=3 85 B10R1.18 OB(O)CC1=CC=CC=C1 Z1147227831 [1,0,0,0,0,0|1,0,1]=3 86 B12R1.20 C=C(C(=O)O)C1=CC=C(C=C1)Cl Z1255421681 [0,1,0,0,0,0|1,0,1]=3 87 B12R1.20 CC(=O)C(C)C1=CC=C(C=C1)Cl Z1276728135 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.20 CC(=O)C(Cl)C1=CC=C(C=C1)F Z1255439681 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)N Z147641478 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)O Z335806634 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)Br Z1259342200 [0,1,0,0,0,0|1,0,0]=2 92 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)Cl Z982129848 [0,1,0,0,0,0|1,0,0]=2 93 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F Z792377290 [0,1,0,0,0,0|1,0,0]=2 94 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)I Z1269218602 [0,1,0,0,0,0|1,0,0]=2 95 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)N Z2935001159 [0,1,0,0,0,0|1,0,0]=2 96 B12R1.20 CC(C)C(O)C1=CC=C(C=C1)Cl Z513748660 [0,1,0,0,0,0|2,0,1]=4 97 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)Br Z336086694 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)F Z336086696 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.20 CC1=CC=C(C=C1)C(=O)C(=O)O Z118430526 [0,1,0,0,0,0|0,0,2]=3 100 B12R1.20 CC1=CC=C(C=C1)C(C)C(=O)O Z792377274 [0,1,0,0,0,0|1,0,0]=2 101 B12R1.20 CC1=CC=C(C=C1)C(N)C(=O)O Z317024662 [0,1,0,0,0,0|1,0,0]=2 102 B12R1.20 CN(C(=O)N)C1=CC=C(C=C1)O Z285211056 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.20 NC(=O)C(Br)C1=CC=C(C=C1)F Z198750878 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.20 NC(=O)C(Cl)C1=CC=C(C=C1)Br Z56791849 [0,1,0,0,0,0|2,0,0]=3 105 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)Br Z57069227 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)Cl Z1255523404 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)F Z220512688 [0,1,0,0,0,0|2,0,0]=3 108 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Br Z317024668 [0,1,0,0,0,0|1,0,0]=2 109 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Cl Z317024646 [0,1,0,0,0,0|1,0,0]=2 110 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)F Z317024670 [0,1,0,0,0,0|1,0,0]=2 111 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O Z1198149764 [0,1,0,0,0,0|1,0,0]=2 112 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)F Z1255390982 [0,1,0,0,0,0|1,0,0]=2 113 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O Z1255364887 [0,1,0,0,0,0|1,0,0]=2 114 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)Cl Z381360896 [0,1,0,0,0,0|0,0,2]=3 115 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)F Z381360860 [0,1,0,0,0,0|0,0,2]=3 116 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)O Z2472464309 [0,1,0,0,0,0|0,0,2]=3 117 B12R1.20 O=C(O)C(F)C1=CC=C(C=C1)F Z1318255176 [0,1,0,0,0,0|1,0,0]=2 118 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Br Z788000726 [0,1,0,0,0,0|0,0,0]=1 119 B12R1.34 C=C(C#N)C(O)C1=CC=CC=C1 Z320966940 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.34 C=C(C#N)C(O)C1=CN=CC=C1 Z320966934 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.34 C=CC(=O)N(C)C1=CC=CC=C1 Z440633576 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.34 CC(C1=CC=CC=C1)C(N)CO Z1262398547 [0,1,0,0,0,0|2,0,1]=4 123 B12R1.34 CCC(=O)C(=O)C1=CC=CC=C1 Z1251352835 [0,1,0,0,0,0|1,0,2]=4 124 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 Z58322425 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.34 CCC(N)C(O)C1=CC=CC=C1 Z1695783907 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 Z56896212 [0,1,0,0,0,0|3,0,0]=4 127 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 Z594038166 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.34 CNC(=O)C(O)C1=CC=CC=C1 Z1203869997 [0,1,0,0,0,0|1,0,0]=2 129 B12R1.34 COC(=O)C(C)C1=CC=NC=C1 Z1143360472 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.34 COC(=O)C(C)C1=CN=CC=C1 Z982129816 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.34 COC(=O)C(C)C1=NC=CC=C1 Z1143356350 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.34 COC(=O)C(C)C1=NC=CN=C1 Z1183458021 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 Z57046237 [0,1,0,0,0,0|1,0,0]=2 134 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 Z56757232 [0,1,0,0,0,0|1,0,0]=2 135 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 Z19752945 [0,1,0,0,0,0|0,0,0]=1 136 B12R1.34 COC(=O)C(O)C1=CN=CC=C1 Z1250100620 [0,1,0,0,0,0|1,0,0]=2 137 B12R1.34 COC(=O)C(O)C1=NC=CC=C1 Z4130150180 [0,1,0,0,0,0|1,0,0]=2 138 B12R1.34 NC(CO)C(O)C1=CC=NC=C1 Z2696777507 [0,1,0,0,0,0|2,0,1]=4 139 B12R1.34 NC(CO)C(O)C1=NC=CC=C1 Z2694807446 [0,1,0,0,0,0|2,0,1]=4 140 B12R1.124 C=C(C(=O)O)C1=C(C=CC=C1)F Z1255374937 [0,1,0,0,0,0|1,0,1]=3 141 B12R1.124 CC(=O)C(N)C1=C(C=CC=C1)F Z2312540924 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.124 CC(C(=O)O)C1=C(C=CC=C1)Cl Z982130746 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.124 CC(C(=O)O)C1=C(C=CC=C1)F Z792377276 [0,1,0,0,0,0|1,0,0]=2 144 B12R1.124 CC(N)C(O)C1=C(C=CC=C1)F Z1272096622 [0,1,0,0,0,0|2,0,1]=4 145 B12R1.124 CC1=C(C=CC=C1)C(C)C(=O)O Z792377258 [0,1,0,0,0,0|1,0,0]=2 146 B12R1.124 CC1=C(C=CC=C1)C(N)C(=O)O Z317024660 [0,1,0,0,0,0|1,0,0]=2 147 B12R1.124 CC1=C(C=CN=C1)C(C)C(=O)O Z3545523789 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.124 CC1=C(N=CC=C1)C(O)C(=O)O Z1945984217 [0,1,0,0,0,0|1,0,0]=2 149 B12R1.124 NC(C(=O)O)C1=C(C=CC=C1)Br Z317024716 [0,1,0,0,0,0|1,0,0]=2 150 B12R1.124 NC(C(=O)O)C1=C(C=CC=C1)F Z317024726 [0,1,0,0,0,0|1,0,0]=2 151 B12R1.124 NC(C(=O)O)C1=C(C=CC=C1)I Z2941400819 [0,1,0,0,0,0|1,0,0]=2 152 B12R1.124 O=C(O)C(O)C1=C(C=CC=C1)Br Z788000812 [0,1,0,0,0,0|0,0,0]=1 153 B12R1.124 O=C(O)C(O)C1=C(C=CC=C1)I Z1269111466 [0,1,0,0,0,0|0,0,0]=1 154 B12R1.124 O=C(O)[C@H](O)C1=C(C=CC=C1)Cl Z1255488133 [0,1,0,0,0,0|0,0,0]=1 155 B12R1.225 CC(=O)C(O)C1=CC(=CC=C1)Cl Z1255467340 [0,1,0,0,0,0|1,0,0]=2 156 B12R1.225 CC(=O)N(C)C1=CC(=CC=C1)N Z802628524 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.225 CC(C(=O)O)C1=CC(=CC=C1)F Z792377330 [0,1,0,0,0,0|1,0,0]=2 158 B12R1.225 CC(N)C(O)C1=CC(=CC=C1)F Z1695740794 [0,1,0,0,0,0|2,0,1]=4 159 B12R1.225 CC1=CC(=CC=C1)C(=O)C(=O)O Z1255379743 [0,1,0,0,0,0|0,0,2]=3 160 B12R1.225 CC1=CC(=CC=C1)C(N)C(=O)O Z317024596 [0,1,0,0,0,0|1,0,0]=2 161 B12R1.225 CC1=CC(=CC=C1)C(O)C(=O)O Z788000614 [0,1,0,0,0,0|0,0,0]=1 162 B12R1.225 CC1=CC=CC(=C1)C(C)C(=O)O Z802854000 [0,1,0,0,0,0|1,0,0]=2 163 B12R1.225 CN(C(=O)N)C1=CC(=CC=C1)N Z802629090 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.225 C[C@H](N)[C@H](O)C1=CC(=CC=C1)O Z2050038784 [0,1,0,0,0,0|2,0,1]=4 165 B12R1.225 NC(=O)C(N)C1=CC(=CC=C1)Br Z477338262 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)Br Z317024672 [0,1,0,0,0,0|1,0,0]=2 167 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)Cl Z317024654 [0,1,0,0,0,0|1,0,0]=2 168 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)F Z317024592 [0,1,0,0,0,0|1,0,0]=2 169 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)I Z3477438782 [0,1,0,0,0,0|1,0,0]=2 170 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)O Z1532541074 [0,1,0,0,0,0|1,0,0]=2 171 B12R1.225 NC1=CC(=CC=C1)C(O)C(=O)O Z1262512603 [0,1,0,0,0,0|0,0,0]=1 172 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)Br Z788000730 [0,1,0,0,0,0|0,0,0]=1 173 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)Cl Z788000712 [0,1,0,0,0,0|0,0,0]=1 174 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)F Z788000610 [0,1,0,0,0,0|0,0,0]=1 175 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)I Z1269151011 [0,1,0,0,0,0|0,0,0]=1 176 B12R1.253 CC(=O)C(C)(C)C1=CC=CC=C1 Z406676998 [0,1,0,0,0,0|2,0,0]=3 177 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 Z104493600 [0,1,0,0,0,0|1,0,0]=2 178 B12R1.253 CC(C)(C(=O)O)C1=CN=CC=C1 Z1582263901 [0,1,0,0,0,0|2,0,0]=3 179 B12R1.253 CC(C)(C(=O)[O-])C1=NC=CC=C1 Z2242071109 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.253 CC(N)(C(=O)N)C1=CC=CC=C1 Z1211228973 [0,1,0,0,0,0|2,0,0]=3 181 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 Z600397716 [0,1,0,0,0,0|1,0,0]=2 182 B12R1.253 CC(N)(C(=O)O)C1=CN=CC=C1 Z4079861885 [0,1,0,0,0,0|2,0,0]=3 183 B12R1.253 CC(N)C(C)(O)C1=CC=CC=C1 Z2466617796 [0,1,0,0,0,0|2,0,1]=4 184 B12R1.253 CC(O)(C(=N)N)C1=CC=CC=C1 Z1723549308 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 Z336127660 [0,1,0,0,0,0|0,0,0]=1 186 B12R1.253 C[C@@](O)(C(=O)O)C1=CC=CC=C1 Z1154245575 [0,1,0,0,0,0|0,0,0]=1 187 B12R1.253 C[C@](O)(C(=O)O)C1=CC=CC=C1 Z1119104455 [0,1,0,0,0,0|0,0,0]=1 188 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 Z56757372 [0,1,0,0,0,0|2,0,0]=3 189 B12R1.253 O=C(O)C(F)(F)C1=CC=CC=C1 Z56770330 [0,1,0,0,0,0|1,0,0]=2 190 B12R1.253 O=C(O)C(F)(F)C1=NC=CN=C1 Z1183458026 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.478 CC(=O)C(C#N)C1=CN=CC=C1 Z1410957851 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 Z104479150 [0,1,0,0,0,0|1,0,0]=2 193 B12R1.478 CCC(C(=O)O)C1=CN=CC=C1 Z982129822 [0,1,0,0,0,0|2,0,0]=3 194 B12R1.478 CCN(C(=O)C)C1=CC=CC=C1 Z58324632 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.478 CNC(C(=O)O)C1=CC=CC=C1 Z1259273212 [0,1,0,0,0,0|1,0,0]=2 196 B12R1.478 COC(C(=O)C)C1=CC=CC=C1 Z1513595127 [0,1,0,0,0,0|1,0,0]=2 197 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 Z316258914 [0,1,0,0,0,0|0,0,0]=1 198 B12R1.478 CSC(C(=O)O)C1=CC=CC=C1 Z732206604 [0,1,0,0,0,0|0,1,0]=2 199 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 Z1913661007 [0,1,0,0,0,0|1,0,0]=2 200 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 Z1080722424 [0,1,0,0,0,0|0,0,0]=1 201 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 Z1262510670 [0,1,0,0,0,0|0,0,0]=1 202 B12R1.564 CC(C)(N)C(O)C1=CC=CC=C1 Z1198157843 [0,1,0,0,0,0|2,0,1]=4 203 B12R1.564 CC(C1=CC=CC=C1)C(C)(C)O Z2235789563 [0,1,0,0,0,0|2,0,1]=4 204 B12R1.564 CC(C1=CC=CC=C1)S(=O)(=O)F Z1210120079 [0,1,0,0,0,0|2,0,1]=4 205 B12R1.564 CC(C1=CC=CC=C1)S(=O)(=O)N Z954606652 [0,1,0,0,0,0|2,0,1]=4 206 B12R1.564 NC(C1=CC=CC=C1)P(=O)(O)O Z55625577 [0,1,0,0,0,0|2,0,0]=3 207 B12R1.564 OC(C1=CC=CC=C1)C(Cl)(Cl)Cl Z838925896 [0,1,0,0,0,0|2,0,1]=4 208 B12R1.564 O[C@@H](C1=CC=CC=C1)C(F)(F)F Z1198169138 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.564 O[C@H](C1=CC=CC=C1)C(F)(F)F Z1255399129 [0,1,0,0,0,0|2,0,1]=4 210 B12R2.18 CC1C(=O)NC2=C1C=CC=C2 Z425452744 [0,0,0,1,0,0|2,0,0]=3 211 B12R2.18 CC1C2=C(C=CC=C2)CC1O Z1349231024 [0,0,0,1,0,0|2,0,1]=4 212 B12R2.18 CC1OC2=C(C1N)C=CC=C2 Z2160887371 [0,0,0,1,0,0|2,0,1]=4 213 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 Z56899025 [0,0,0,1,0,0|3,0,0]=4 214 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 Z57070418 [0,0,0,1,0,0|3,0,0]=4 215 B12R2.18 NC1CC2=C(C1O)C=CC=C2 Z1431905060 [0,0,0,1,0,0|2,0,1]=4 216 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O Z784894996 [0,0,0,1,0,0|2,0,1]=4 217 B12R2.18 N[C@@H]1CC2=C([C@H]1O)C=CC=C2 Z2307327484 [0,0,0,1,0,0|2,0,1]=4 218 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O Z4663003875 [0,0,0,1,0,0|2,0,1]=4 219 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O Z803127638 [0,0,0,1,0,0|2,0,1]=4 220 B12R2.18 O=C1NC2=C(C1=O)C=CC=C2 Z57127903 [0,0,0,1,0,0|1,0,2]=4 221 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 Z335244966 [0,0,0,1,0,0|1,0,0]=2 222 B12R2.18 O=C1NC2=C(N1O)C=CC=C2 Z1416184382 [0,0,0,1,0,0|2,0,0]=3 223 B12R2.18 O=C1SC2=C(C1=O)C=CC=C2 Z1198153623 [0,0,0,1,0,0|0,1,2]=4 224 B12R2.18 OC1C2=C(C=CC=C2)CC1Br Z104485720 [0,0,0,1,0,0|2,0,1]=4 225 B12R2.18 OC1C2=C(C=CC=C2)CC1F Z1509011291 [0,0,0,1,0,0|2,0,1]=4 226 B12R2.23 O=C1CCN1C2=CC=CC=C2 Z1198221109 [0,0,0,1,0,0|3,0,0]=4 227 B12R2.92 CC1(OC1C2=CC=CC=C2)C Z1486033030 [0,0,0,1,0,0|2,0,1]=4 228 B12R2.2075 CC(C1=CC=CC=C1)C2CO2 Z1020679814 [0,0,0,1,0,0|2,0,1]=4 229 B12R2.3190 N=C(N)C1CC2=C1C=CC=C2 Z1613477992 [0,0,0,1,0,0|3,0,0]=4 230 B10R1.23 CC(C(=O)O)C1=CC=CO1 Z792377294 [0,0,0,0,1,0|2,0,0]=3 231 B10R1.23 CC(C(=O)O)C1=CC=NN1 Z4751117307 [0,0,0,0,1,0|3,0,0]=4 232 B10R1.23 CC(C(=O)O)C1=CSC=C1 Z954552432 [0,0,0,0,1,0|2,0,0]=3 233 B10R1.23 CC(C(=O)O)N1C=CC=C1 Z223656256 [0,0,0,0,1,0|2,0,0]=3 234 B10R1.23 CC(C(=O)O)N1C=CC=N1 Z406680018 [0,0,0,0,1,0|3,0,0]=4 235 B10R1.23 CC(C(=O)O)N1C=CN=C1 Z415636668 [0,0,0,0,1,0|3,0,0]=4 236 B10R1.23 NC(C(=O)O)C1=CC=CS1 Z803154920 [0,0,0,0,1,0|2,0,0]=3 237 B10R1.23 NC(C(=O)O)C1=CSC=C1 Z1696871277 [0,0,0,0,1,0|2,0,0]=3 238 B10R1.23 NC(C(=O)O)C1=CSC=N1 Z3699161008 [0,0,0,0,1,0|3,0,0]=4 239 B10R1.23 O=C(O)C(F)N1C=CC=N1 Z1438068862 [0,0,0,0,1,0|3,0,0]=4 240 B10R1.23 O=C(O)C(O)C1=CNC=N1 Z2301534488 [0,0,0,0,1,0|2,0,0]=3 241 B10R1.23 O=C(O)C(O)C1=CSC=C1 Z788000616 [0,0,0,0,1,0|1,0,0]=2 242 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O Z2980228149 [0,0,0,0,0,1|1,0,1]=3 243 B12R1.43 C/C(=C\C1=CC=NC=C1)/C(=O)O Z2466682039 [0,0,0,0,0,1|2,0,1]=4 244 B12R1.43 C/C(=C\C1=CN=CC=C1)/C(=O)O Z2467131746 [0,0,0,0,0,1|2,0,1]=4 245 B12R1.43 C/C(=C\C1=NC=CC=C1)/C(=O)O Z2467234655 [0,0,0,0,0,1|2,0,1]=4 246 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [0,0,0,0,0,1|2,0,0]=3 247 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [0,0,0,0,0,1|1,0,0]=2 248 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Z3477804988 [0,0,0,0,0,1|2,0,0]=3 249 B12R1.43 CC(N)C(O)CC1=CC=CC=C1 Z1483956878 [0,0,0,0,0,1|2,0,1]=4 250 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [0,0,0,0,0,1|1,0,0]=2 251 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [0,0,0,0,0,1|1,0,0]=2 252 B12R1.43 CC(OC1=CN=CC=C1)C(=O)O Z336080820 [0,0,0,0,0,1|2,0,0]=3 253 B12R1.43 CC(OC1=NC=CC=C1)C(=O)O Z360507460 [0,0,0,0,0,1|2,0,0]=3 254 B12R1.43 CC(SC1=CC=CC=C1)C(=O)N Z19751098 [0,0,0,0,0,1|2,0,0]=3 255 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [0,0,0,0,0,1|1,0,0]=2 256 B12R1.43 CC(SC1=NC=CC=C1)C(=O)N Z18886410 [0,0,0,0,0,1|3,0,0]=4 257 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O Z31250551 [0,0,0,0,0,1|2,0,0]=3 258 B12R1.43 CC(SC1=NC=CC=N1)C(=O)O Z31250552 [0,0,0,0,0,1|3,0,0]=4 259 B12R1.43 CN(CC1=CC=CC=C1)C(=O)N Z198194348 [0,0,0,0,0,1|3,0,0]=4 260 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [0,0,0,0,0,1|1,0,0]=2 261 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [0,0,0,0,0,1|2,0,0]=3 262 B12R1.43 NC(=O)C(N)CC1=NC=CC=C1 Z4981909244 [0,0,0,0,0,1|3,0,0]=4 263 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [0,0,0,0,0,1|2,0,0]=3 264 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [0,0,0,0,0,1|2,0,0]=3 265 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [0,0,0,0,0,1|1,0,0]=2 266 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [0,0,0,0,0,1|2,0,0]=3 267 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [0,0,0,0,0,1|2,0,0]=3 268 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O Z3697694105 [0,0,0,0,0,1|3,0,0]=4 269 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [0,0,0,0,0,1|2,0,0]=3 270 B12R1.43 NC(CC1=NC=CC=N1)C(=O)O Z2432992279 [0,0,0,0,0,1|3,0,0]=4 271 B12R1.43 NC(CC1=NC=NC=C1)C(=O)O Z2470415568 [0,0,0,0,0,1|3,0,0]=4 272 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [0,0,0,0,0,1|1,0,0]=2 273 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [0,0,0,0,0,1|1,0,0]=2 274 B12R1.43 O=C(O)/C(=C/C1=CN=CC=C1)/F Z2081677235 [0,0,0,0,0,1|2,0,1]=4 275 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [0,0,0,0,0,1|0,0,2]=3 276 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 Z362848468 [0,0,0,0,0,1|0,0,2]=3 277 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [0,0,0,0,0,1|0,0,0]=1 278 B12R1.43 O=C(O)C(O)CC1=NC=CC=C1 Z3486862716 [0,0,0,0,0,1|1,0,0]=2 279 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [0,0,0,0,0,1|0,0,0]=1 280 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [0,0,0,0,0,1|0,0,0]=1 281 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 Z352748396 [0,0,0,0,0,1|1,0,1]=3 282 B12R1.107 C/C(=C\C(=O)O)/C1=CC=NC=C1 Z352748124 [0,0,0,0,0,1|2,0,1]=4 283 B12R1.107 C/C(=C\C(=O)O)/C1=CN=CC=C1 Z352748104 [0,0,0,0,0,1|2,0,1]=4 284 B12R1.107 C=C(C)CC(N)C1=CC=CC=C1 Z4497189696 [0,0,0,0,0,1|3,0,0]=4 285 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [0,0,0,0,0,1|2,0,0]=3 286 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [0,0,0,0,0,1|1,0,0]=2 287 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Z352782496 [0,0,0,0,0,1|2,0,0]=3 288 B12R1.107 CC(N)CC(O)C1=CC=CC=C1 Z1262623600 [0,0,0,0,0,1|2,0,1]=4 289 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 Z1089996260 [0,0,0,0,0,1|3,0,0]=4 290 B12R1.107 CC(NC(=O)N)C1=CC=CC=C1 Z198194342 [0,0,0,0,0,1|2,0,0]=3 291 B12R1.107 CC(NC(=S)N)C1=CC=CC=C1 Z56913099 [0,0,0,0,0,1|2,1,0]=4 292 B12R1.107 CN(CC(=O)N)C1=CC=CC=C1 Z54747686 [0,0,0,0,0,1|3,0,0]=4 293 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z1162448842 [0,0,0,0,0,1|2,0,0]=3 294 B12R1.107 CN(CC(=O)O)C1=CC=NC=C1 Z317257814 [0,0,0,0,0,1|3,0,0]=4 295 B12R1.107 CS(=O)CC(N)C1=CC=CC=C1 Z1238793494 [0,0,0,0,0,1|3,0,0]=4 296 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [0,0,0,0,0,1|1,0,0]=2 297 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 Z317027344 [0,0,0,0,0,1|2,0,0]=3 298 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [0,0,0,0,0,1|1,0,0]=2 299 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [0,0,0,0,0,1|1,0,0]=2 300 B12R1.107 O=C(O)/C=C(\F)/C1=CN=CC=C1 Z4602486084 [0,0,0,0,0,1|2,0,1]=4 301 B12R1.107 O=C(O)/C=C(\I)/C1=CC=CC=C1 Z3379426714 [0,0,0,0,0,1|1,0,1]=3 302 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [0,0,0,0,0,1|0,0,0]=1 303 B12R1.107 O=C(O)NC(=O)C1=CC=CC=C1 Z56928966 [0,0,0,0,0,1|0,0,2]=3 304 B9R1.6 CC(=O)C1=CC=CC=C1 Z57127548 [2,0,0,0,0,0|1,0,1]=4 305 B9R1.6 CC(N)C1=CC=CC=C1 Z57102377 [2,0,0,0,0,0|1,0,1]=4 306 B9R1.6 CC(O)C1=CC=CC=C1 Z104494956 [2,0,0,0,0,0|0,0,1]=3 307 B9R1.6 CC(O)C1=CC=NC=C1 Z335245082 [2,0,0,0,0,0|1,0,1]=4 308 B9R1.6 CC(O)C1=CN=CC=C1 Z335245084 [2,0,0,0,0,0|1,0,1]=4 309 B9R1.6 CC(O)C1=NC=CC=C1 Z335244914 [2,0,0,0,0,0|1,0,1]=4 310 B9R1.6 C[C@@H](N)C1=CC=CC=C1 Z1079183182 [2,0,0,0,0,0|1,0,1]=4 311 B9R1.6 C[C@@H](O)C1=CC=CC=C1 Z360055166 [2,0,0,0,0,0|0,0,1]=3 312 B9R1.6 C[C@H](N)C1=CC=CC=C1 Z1079131570 [2,0,0,0,0,0|1,0,1]=4 313 B9R1.6 C[C@H](O)C1=CC=CC=C1 Z360055168 [2,0,0,0,0,0|0,0,1]=3 314 B9R1.6 O=C(O)C1=CC=CC=C1 Z57127480 [2,0,0,0,0,0|0,0,1]=3 315 B9R1.6 O=C(O)C1=CC=NC=C1 Z104473016 [2,0,0,0,0,0|1,0,1]=4 316 B9R1.6 O=C(O)C1=CN=CC=C1 Z56755709 [2,0,0,0,0,0|1,0,1]=4 317 B9R1.6 O=C(O)C1=NC=CC=C1 Z57968195 [2,0,0,0,0,0|1,0,1]=4 318 B9R1.6 O=[S-](=O)C1=CC=CC=C1 Z104501326 [2,0,0,0,0,0|1,0,1]=4 319 B9R1.6 OB(O)C1=CC=CC=C1 Z111782400 [2,0,0,0,0,0|1,0,0]=3 320 B9R1.6 OB(O)C1=CC=NC=C1 Z285038904 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.6 OB(O)C1=CN=CC=C1 Z608482642 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [2,0,0,0,0,0|1,0,1]=4 323 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [2,0,0,0,0,0|0,0,0]=2 326 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [2,0,0,0,0,0|0,0,1]=3 327 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [2,0,0,0,0,0|1,0,1]=4 328 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [2,0,0,0,0,0|1,0,1]=4 329 B11R1.7 CC(C)(C=O)C1=CC=CC=C1 Z1079442604 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.7 CC(C)(C=O)C1=CC=NC=C1 Z2732458612 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.7 CC(C)(C=O)C1=CN=CC=C1 Z1511889697 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.7 CC(C)(C=O)C1=NC=CC=C1 Z1255506395 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.7 CC(C)(CO)C1=CC=CC=C1 Z397587218 [1,1,0,0,0,0|1,0,1]=4 334 B11R1.7 CC(N)(CO)C1=CC=CC=C1 Z734150992 [1,1,0,0,0,0|1,0,1]=4 335 B11R1.7 CC(O)(CN)C1=CC=CC=C1 Z979721628 [1,1,0,0,0,0|1,0,1]=4 336 B11R1.7 CCC(C)(O)C1=CC=CC=C1 Z449373348 [1,1,0,0,0,0|1,0,1]=4 337 B11R1.12 CCC(C=O)C1=CC=CC=C1 Z1079132778 [1,1,0,0,0,0|1,0,0]=3 338 B11R1.12 CCC(CO)C1=CC=CC=C1 Z397587442 [1,1,0,0,0,0|1,0,1]=4 339 B11R1.12 CNC(CO)C1=CC=CC=C1 Z734147276 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.12 COC(CN)C1=CC=CC=C1 Z285139084 [1,1,0,0,0,0|1,0,1]=4 341 B11R1.12 N#CC(C=O)C1=CC=CC=C1 Z57912400 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.12 NCC(CO)C1=CC=CC=C1 Z1198168251 [1,1,0,0,0,0|1,0,1]=4 343 B11R1.12 OCC(CO)C1=CC=CC=C1 Z1255395467 [1,1,0,0,0,0|0,0,1]=3 344 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [1,1,0,0,0,0|1,0,1]=4 345 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [1,1,0,0,0,0|1,0,1]=4 347 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [1,1,0,0,0,0|1,0,1]=4 348 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [1,1,0,0,0,0|1,0,1]=4 349 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [1,1,0,0,0,0|1,0,1]=4 350 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [1,1,0,0,0,0|1,0,1]=4 351 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [1,1,0,0,0,0|1,0,1]=4 352 B11R1.22 CC(C=O)C1=CC=C(C=C1)Br Z1269114153 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.22 CC(C=O)C1=CC=C(C=C1)Cl Z1198334992 [1,1,0,0,0,0|1,0,0]=3 354 B11R1.22 CC(C=O)C1=CC=C(C=C1)F Z1255400140 [1,1,0,0,0,0|1,0,0]=3 355 B11R1.22 CC(CO)C1=CC=C(C=C1)F Z1255440783 [1,1,0,0,0,0|1,0,1]=4 356 B11R1.22 CC1=CC=C(C=C1)C(C)C=O Z1198150045 [1,1,0,0,0,0|1,0,0]=3 357 B11R1.22 CC1=CC=C(C=C1)C(N)CO Z5087131901 [1,1,0,0,0,0|1,0,1]=4 358 B11R1.22 CC1=CC=C(C=C1)C(O)CN Z336086536 [1,1,0,0,0,0|1,0,1]=4 359 B11R1.22 CC1=CC=C(C=C1)[C@@H](O)CN Z1895741843 [1,1,0,0,0,0|1,0,1]=4 360 B11R1.22 CCC(O)C1=CC=C(C=C1)C Z228586316 [1,1,0,0,0,0|1,0,1]=4 361 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl Z228586168 [1,1,0,0,0,0|1,0,1]=4 362 B11R1.22 CCC(O)C1=CC=C(C=C1)F Z228586174 [1,1,0,0,0,0|1,0,1]=4 363 B11R1.22 CCC(O)C1=CC=C(C=C1)O Z228586170 [1,1,0,0,0,0|1,0,1]=4 364 B11R1.22 NC(CO)C1=CC=C(C=C1)Br Z2188171600 [1,1,0,0,0,0|1,0,1]=4 365 B11R1.22 NC(CO)C1=CC=C(C=C1)F Z1268152327 [1,1,0,0,0,0|1,0,1]=4 366 B11R1.22 NCC(O)C1=CC=C(C=C1)Cl Z295878600 [1,1,0,0,0,0|1,0,1]=4 367 B11R1.22 O=CC(=O)C1=CC=C(C=C1)Br Z1269163105 [1,1,0,0,0,0|0,0,2]=4 368 B11R1.23 CC(C=O)C1=CC(=CC=C1)Br Z1269224544 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.23 CC(C=O)C1=CC(=CC=C1)Cl Z1222424632 [1,1,0,0,0,0|1,0,0]=3 370 B11R1.23 CC(C=O)C1=CC(=CC=C1)F Z1222424642 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.23 CC(CO)C1=CC(=CC=C1)Br Z1269177166 [1,1,0,0,0,0|1,0,1]=4 372 B11R1.23 CC(CO)C1=CC(=CC=C1)Cl Z1222424631 [1,1,0,0,0,0|1,0,1]=4 373 B11R1.23 CC1=CC(=CC=C1)C(O)CN Z336086464 [1,1,0,0,0,0|1,0,1]=4 374 B11R1.23 CC1=CC=CC(=C1)C(C)C=O Z1222424653 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.23 CCC(O)C1=CC(=CC=C1)Br Z228586280 [1,1,0,0,0,0|1,0,1]=4 376 B11R1.23 CCC(O)C1=CC(=CC=C1)Cl Z335245132 [1,1,0,0,0,0|1,0,1]=4 377 B11R1.23 CCC(O)C1=CC(=CC=C1)N Z1262626036 [1,1,0,0,0,0|1,0,1]=4 378 B11R1.23 NC(CO)C1=CC(=CC=C1)Br Z1438483917 [1,1,0,0,0,0|1,0,1]=4 379 B11R1.23 NC(CO)C1=CC(=CC=C1)Cl Z1695784092 [1,1,0,0,0,0|1,0,1]=4 380 B11R1.23 NC(CO)C1=CC(=CC=C1)F Z1268152384 [1,1,0,0,0,0|1,0,1]=4 381 B11R1.23 NC(CO)C1=CC(=CC=C1)I Z3605387233 [1,1,0,0,0,0|1,0,1]=4 382 B11R1.23 NC(CO)C1=CC(=CC=C1)O Z3247611804 [1,1,0,0,0,0|1,0,1]=4 383 B11R1.23 NC1=CC(=CC=C1)C(O)CO Z970072128 [1,1,0,0,0,0|0,0,1]=3 384 B11R1.23 NCC(O)C1=CC(=CC=C1)Cl Z330910384 [1,1,0,0,0,0|1,0,1]=4 385 B11R1.23 NCC(O)C1=CC(=CC=C1)O Z3041501762 [1,1,0,0,0,0|1,0,1]=4 386 B11R1.23 O=CC(=O)C1=CC=CC(=C1)Br Z2472857402 [1,1,0,0,0,0|0,0,2]=4 387 B11R1.23 O=CC(=O)C1=CC=CC(=C1)O Z1255357387 [1,1,0,0,0,0|0,0,2]=4 388 B11R1.222 CC(C=O)C1=C(C=CC=C1)Br Z1269159201 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.222 CC(C=O)C1=C(C=CC=C1)Cl Z1222424635 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.222 CC(C=O)C1=C(C=CC=C1)F Z1222424647 [1,1,0,0,0,0|1,0,0]=3 391 B11R1.222 CC1=C(C=CC=C1)C(=O)C=O Z2472857037 [1,1,0,0,0,0|0,0,2]=4 392 B11R1.222 CC1=C(C=CC=C1)C(C)C=O Z1222424657 [1,1,0,0,0,0|1,0,0]=3 393 B11R1.222 CC1=C(C=CC=C1)C(N)CO Z385458414 [1,1,0,0,0,0|1,0,1]=4 394 B11R1.222 CC1=C(C=CC=C1)C(O)CN Z336086534 [1,1,0,0,0,0|1,0,1]=4 395 B11R1.222 NC(CO)C1=C(C=CC=C1)F Z1268152413 [1,1,0,0,0,0|1,0,1]=4 396 B11R1.222 NC(CO)C1=C(C=CC=C1)I Z2941400807 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.222 NCC(O)C1=C(C=CC=C1)Cl Z1255523275 [1,1,0,0,0,0|1,0,1]=4 398 B11R1.222 O=CC(=O)C1=C(C=CC=C1)Br Z1516173728 [1,1,0,0,0,0|0,0,2]=4 399 B11R1.20 CC(=O)CC1=CC=C(C=C1)F Z329711590 [1,1,0,0,0,0|1,0,0]=3 400 B11R1.20 CC(=O)NC1=CC=C(C=C1)C Z28134680 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl Z28161730 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.20 CC(=O)NC1=CC=C(C=C1)F Z27805821 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.20 CC(=O)NC1=CC=C(C=C1)I Z30316374 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.20 CC(=O)NC1=CC=C(C=C1)N Z56926521 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.20 CC(=O)NC1=CC=C(C=C1)O Z56946051 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.20 CC(=O)NC1=CC=C(C=C1)S Z104484984 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.20 CC(=O)OC1=CC=C(C=C1)O Z1198155166 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.20 CC1=CC=C(C=C1)CC(=N)N Z3244909870 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.20 CC1=CC=C(C=C1)CC(=O)O Z104507548 [1,1,0,0,0,0|0,0,0]=2 410 B11R1.20 CC1=CC=C(C=C1)NC(=O)N Z56754677 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.20 CC1=NC=C(C=C1)CC(=O)O Z424795892 [1,1,0,0,0,0|1,0,0]=3 412 B11R1.20 N=C(N)CC1=CC=C(C=C1)Br Z1518844582 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.20 N=C(N)CC1=CC=C(C=C1)F Z415636754 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.20 NC(=O)CC1=CC=C(C=C1)Br Z33546958 [1,1,0,0,0,0|1,0,0]=3 415 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl Z33546677 [1,1,0,0,0,0|1,0,0]=3 416 B11R1.20 NC(=O)CC1=CC=C(C=C1)F Z33546755 [1,1,0,0,0,0|1,0,0]=3 417 B11R1.20 NC(=O)CC1=CC=C(C=C1)N Z234895133 [1,1,0,0,0,0|1,0,0]=3 418 B11R1.20 NC(=O)NC1=CC=C(C=C1)Br Z89283357 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl Z56754682 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.20 NC(=O)NC1=CC=C(C=C1)F Z166687094 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.20 NC(=O)NC1=CC=C(C=C1)I Z56754684 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.20 NC(=O)NC1=CC=C(C=C1)N Z239123648 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.20 NC(=S)CC1=CC=C(C=C1)F Z285131734 [1,1,0,0,0,0|1,1,0]=4 424 B11R1.20 NC1=CC=C(C=C1)CC(=O)O Z104481066 [1,1,0,0,0,0|0,0,0]=2 425 B11R1.20 O=C(Cl)CC1=CC=C(C=C1)Cl Z217293314 [1,1,0,0,0,0|1,0,0]=3 426 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br Z90121253 [1,1,0,0,0,0|0,0,0]=2 427 B11R1.20 O=C(O)CC1=CC=C(C=C1)Cl Z104477676 [1,1,0,0,0,0|0,0,0]=2 428 B11R1.20 O=C(O)CC1=CC=C(C=C1)F Z104477312 [1,1,0,0,0,0|0,0,0]=2 429 B11R1.20 O=C(O)CC1=CN=C(C=C1)Cl Z1165304038 [1,1,0,0,0,0|1,0,0]=3 430 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 Z1198338224 [1,1,0,0,0,0|1,0,0]=3 431 B11R1.20 O=C(O)CC1=NC=C(C=C1)F Z1945984141 [1,1,0,0,0,0|1,0,0]=3 432 B11R1.40 C#CC(=O)CC1=CC=CC=C1 Z1266856334 [1,1,0,0,0,0|1,0,0]=3 433 B11R1.40 C/C(=C\C1=CC=CC=C1)/C=O Z3219847417 [1,1,0,0,0,0|1,0,1]=4 434 B11R1.40 C=CC(=O)NC1=CC=CC=C1 Z440633536 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [1,1,0,0,0,0|1,0,1]=4 436 B11R1.40 CCC(=O)CC1=CN=CC=C1 Z992407884 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [1,1,0,0,0,0|1,0,1]=4 438 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [1,1,0,0,0,0|1,0,1]=4 439 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [1,1,0,0,0,0|1,0,1]=4 440 B11R1.40 CN(CC1=CC=CC=C1)N=O Z1198147495 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.40 CNC(=O)NC1=CC=CC=C1 Z55293754 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.40 COC(=O)CC1=CC=NC=C1 Z331473808 [1,1,0,0,0,0|1,0,0]=3 443 B11R1.40 COC(=O)CC1=CN=CN=C1 Z2176326087 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.40 COC(=O)CC1=NC=CC=C1 Z147652450 [1,1,0,0,0,0|1,0,0]=3 445 B11R1.40 COC(=O)CC1=NC=CC=N1 Z1255420534 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.40 N/C(=N\O)/CC1=NC=CC=C1 Z285132826 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [1,1,0,0,0,0|1,0,1]=4 448 B11R1.40 NCC(=O)CC1=CC=CC=C1 Z1569708978 [1,1,0,0,0,0|1,0,0]=3 449 B11R1.40 NCC(=O)NC1=CC=CC=C1 Z594413794 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [1,1,0,0,0,0|1,0,1]=4 451 B11R1.40 NNC(=O)CC1=CC=CC=C1 Z56867310 [1,1,0,0,0,0|1,0,0]=3 452 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 Z90123523 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.40 NNC(=O)NC1=CC=CC=C1 Z56855648 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [1,1,0,0,0,0|1,0,1]=4 456 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Z164706024 [1,1,0,0,0,0|1,0,0]=3 457 B11R1.40 O=C(CCl)NC1=CC=CC=C1 Z56889119 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.40 O=C(CO)NC1=CC=CC=C1 Z228585444 [1,1,0,0,0,0|1,0,0]=3 459 B11R1.40 O=C/C(=C/C1=CC=CC=C1)/Br Z2312942099 [1,1,0,0,0,0|1,0,1]=4 460 B11R1.40 O=C/C(=C/C1=CC=CC=C1)/Cl Z104475950 [1,1,0,0,0,0|1,0,1]=4 461 B11R1.86 CC(=O)CC1=C(C=CC=C1)C Z329711570 [1,1,0,0,0,0|1,0,0]=3 462 B11R1.86 CC(=O)CC1=C(C=CC=C1)Cl Z329711556 [1,1,0,0,0,0|1,0,0]=3 463 B11R1.86 CC(=O)CC1=C(C=CC=C1)I Z1335657335 [1,1,0,0,0,0|1,0,0]=3 464 B11R1.86 CC(=O)CC1=C(C=CC=C1)O Z1198152110 [1,1,0,0,0,0|1,0,0]=3 465 B11R1.86 CC(=O)CC1=C(C=NC=C1)C Z4958080575 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.86 CC(=O)CN1C=CC=CC1=O Z1881599491 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.86 CC(=O)NC1=C(C=CC=C1)N Z239120544 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.86 CC(=O)NC1=C(C=CC=C1)O Z57040482 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.86 CC(=O)OC1=C(C=CC=C1)O Z1513803522 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.86 CC1=C(C=CC=C1)CC(=N)N Z1374778803 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.86 CC1=C(C=CC=C1)CC(=O)N Z52214433 [1,1,0,0,0,0|1,0,0]=3 472 B11R1.86 CC1=C(C=CC=C1)CC(=O)O Z104503424 [1,1,0,0,0,0|0,0,0]=2 473 B11R1.86 CC1=C(C=CC=N1)CC(=O)O Z2050687800 [1,1,0,0,0,0|1,0,0]=3 474 B11R1.86 CC1=C(C=NC=C1)CC(=O)O Z1198264460 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.86 CS(=O)CC1=C(C=CC=C1)N Z802580910 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.86 N=C(N)CC1=C(C=CC=C1)Br Z1742055055 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.86 N=C(N)CC1=C(C=CC=C1)F Z1695738915 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.86 NC(=O)CC1=C(C=CC=C1)Cl Z33547171 [1,1,0,0,0,0|1,0,0]=3 479 B11R1.86 NC(=O)CC1=C(C=CC=C1)F Z33546803 [1,1,0,0,0,0|1,0,0]=3 480 B11R1.86 NC(=O)CC1=C(C=CC=C1)N Z239125326 [1,1,0,0,0,0|1,0,0]=3 481 B11R1.86 NC(=O)CC1=C(C=CC=C1)O Z1255356155 [1,1,0,0,0,0|1,0,0]=3 482 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br Z247615996 [1,1,0,0,0,0|2,0,0]=4 483 B11R1.86 NC(=O)NC1=C(C=CC=C1)Cl Z56754680 [1,1,0,0,0,0|2,0,0]=4 484 B11R1.86 NC(=O)NC1=C(C=CC=C1)F Z57028527 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.86 NC1=C(C=CC=N1)CC(=O)O Z1889710265 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.86 O=C(O)CC1=C(C=CC=C1)Br Z285184626 [1,1,0,0,0,0|0,0,0]=2 487 B11R1.86 O=C(O)CC1=C(C=CC=C1)Cl Z56911957 [1,1,0,0,0,0|0,0,0]=2 488 B11R1.86 O=C(O)CC1=C(C=CC=C1)F Z104495526 [1,1,0,0,0,0|0,0,0]=2 489 B11R1.86 O=C(O)CC1=C(C=CC=C1)I Z1269196288 [1,1,0,0,0,0|0,0,0]=2 490 B11R1.86 O=C(O)CC1=C(C=CC=C1)O Z608061328 [1,1,0,0,0,0|0,0,0]=2 491 B11R1.86 O=C(O)CC1=C(C=CN=C1)Cl Z2096659743 [1,1,0,0,0,0|1,0,0]=3 492 B11R1.86 O=C(O)CC1=C(C=CN=C1)O Z1255444750 [1,1,0,0,0,0|1,0,0]=3 493 B11R1.86 O=C(O)CC1=C(N=CC=C1)Br Z1269238080 [1,1,0,0,0,0|1,0,0]=3 494 B11R1.86 O=C(O)CC1=C(N=CC=N1)Cl Z1255421013 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.86 O=C(O)CC1=CN=CNC1=O Z4990166200 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.86 O=C(O)CN1C=CC=CC1=O Z57985357 [1,1,0,0,0,0|1,0,0]=3 497 B11R1.86 O=C(O)CN1C=CC=NC1=O Z245435552 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.86 O=C(O)CN1C=NC=CC1=O Z1154745738 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.86 O=[N+]([O-])CC1=C(C=CC=C1)F Z2182028452 [1,1,0,0,0,0|1,0,1]=4 500 B11R1.86 OB(O)CC1=C(C=CC=C1)Cl Z1147227737 [1,1,0,0,0,0|1,0,1]=4 501 B11R1.157 CC(=O)CC1=CC(=CC=C1)Br Z513735382 [1,1,0,0,0,0|1,0,0]=3 502 B11R1.157 CC(=O)CC1=CC(=CC=C1)Cl Z513733552 [1,1,0,0,0,0|1,0,0]=3 503 B11R1.157 CC(=O)CC1=CC(=CC=C1)F Z329711550 [1,1,0,0,0,0|1,0,0]=3 504 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br Z27788933 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.157 CC(=O)NC1=CC(=CC=C1)I Z26432839 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.157 CC(=O)NC1=CC(=CC=C1)N Z56926524 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.157 CC(=O)NC1=CC(=CC=C1)O Z31717082 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.157 CC(O)CC1=CC(=CC=C1)F Z513751286 [1,1,0,0,0,0|1,0,1]=4 509 B11R1.157 CC1=CC(=CN=C1)CC(=O)O Z1889997399 [1,1,0,0,0,0|1,0,0]=3 510 B11R1.157 CS(=O)CC1=CC(=CC=C1)N Z802580778 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.157 N=C(N)CC1=CC(=CC=C1)Br Z1636723568 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.157 N=C(N)CC1=CC(=CC=C1)F Z1695709629 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.157 NC(=O)CC1=CC(=CC=C1)Cl Z992289380 [1,1,0,0,0,0|1,0,0]=3 514 B11R1.157 NC(=O)CC1=CC(=CC=C1)I Z1419030795 [1,1,0,0,0,0|1,0,0]=3 515 B11R1.157 NC(=O)CC1=CC(=CC=C1)O Z816010252 [1,1,0,0,0,0|1,0,0]=3 516 B11R1.157 NC(=O)NC1=CC(=CC=C1)Br Z198194688 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.157 NC(=O)NC1=CC(=CC=C1)Cl Z166687084 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.157 NC(=O)NC1=CC(=CC=C1)I Z198194890 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.157 NC(=O)NC1=CC(=CC=C1)N Z235352405 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.157 NC(=O)NC1=CC(=CC=C1)O Z335810106 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.157 NC1=CC(=CC=C1)CC(=O)O Z992267406 [1,1,0,0,0,0|0,0,0]=2 522 B11R1.157 NC1=NC=CC(=C1)CC(=O)O Z1197888454 [1,1,0,0,0,0|1,0,0]=3 523 B11R1.157 O=C(O)CC1=CC(=CC=C1)Br Z285131530 [1,1,0,0,0,0|0,0,0]=2 524 B11R1.157 O=C(O)CC1=CC(=CC=C1)Cl Z285184608 [1,1,0,0,0,0|0,0,0]=2 525 B11R1.157 O=C(O)CC1=CC(=CC=C1)F Z104486030 [1,1,0,0,0,0|0,0,0]=2 526 B11R1.157 O=C(O)CC1=CC(=CC=C1)I Z1269113140 [1,1,0,0,0,0|0,0,0]=2 527 B11R1.157 O=C(O)CC1=CC(=CC=C1)O Z816000338 [1,1,0,0,0,0|0,0,0]=2 528 B11R1.157 O=C(O)CC1=CC(=CN=C1)Br Z1269198419 [1,1,0,0,0,0|1,0,0]=3 529 B11R1.157 O=C(O)CC1=CC(=CN=C1)O Z1255437243 [1,1,0,0,0,0|1,0,0]=3 530 B11R1.157 O=C(O)CC1=CC(=NC=C1)O Z5003228420 [1,1,0,0,0,0|1,0,0]=3 531 B11R1.157 O=[N+]([O-])CC1=CC(=CC=C1)F Z2181775549 [1,1,0,0,0,0|1,0,1]=4 532 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 Z89268868 [1,1,0,0,0,0|1,0,1]=4 533 B11R1.509 O=P(O)(O)CC1=CN=CC=C1 Z1255418137 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 Z190630174 [1,1,0,0,0,0|1,0,1]=4 535 B11R1.509 O=S(=O)([O-])CC1=CC=CC=C1 Z3206129658 [1,1,0,0,0,0|1,0,1]=4 536 B11R1.31 COC(=O)C(N)C1=CC=CS1 Z2417574149 [0,1,0,0,1,0|2,0,0]=4 537 B11R1.31 COC(=O)C(N)C1=CSC=C1 Z1703168231 [0,1,0,0,1,0|2,0,0]=4 538 B11R1.31 COC(=O)C(O)C1=CSC=C1 Z965047476 [0,1,0,0,1,0|1,0,0]=3 539 B11R1.89 CN1C=NC=C1C(O)C(=O)O Z1925930260 [0,1,0,0,1,0|2,0,0]=4 540 B11R1.89 CN1N=CC=C1C(O)C(=O)O Z3299819571 [0,1,0,0,1,0|2,0,0]=4 541 B11R1.173 CC(C)(C(=O)O)C1=CC=CS1 Z982130788 [0,1,0,0,1,0|2,0,0]=4 542 B11R1.173 CC(C)(C(=O)O)C1=CSC=C1 Z1201627418 [0,1,0,0,1,0|2,0,0]=4 543 B11R1.298 CSC(C(=O)O)C1=CC=CS1 Z1262520461 [0,1,0,0,1,0|1,1,0]=4 544 B11R1.314 CC(C(=O)O)C1=CC=C(S1)Br Z803101402 [0,1,0,0,1,0|2,0,0]=4 545 B11R1.314 CC(C(=O)O)C1=CC=C(S1)Cl Z803101404 [0,1,0,0,1,0|2,0,0]=4 546 B11R1.314 CC1=CC=C(O1)C(C)C(=O)O Z792377304 [0,1,0,0,1,0|2,0,0]=4 547 B11R1.314 CC1=CC=C(S1)C(C)C(=O)O Z803101406 [0,1,0,0,1,0|2,0,0]=4 548 B11R1.314 CC1=CC=C(S1)C(O)C(=O)[O-] Z1695669920 [0,1,0,0,1,0|1,0,1]=4 549 B11R1.314 CN1C=C(C=N1)C(O)C(=O)O Z788000828 [0,1,0,0,1,0|2,0,0]=4 550 B13R1.133 C/C(=C\C1=CC=C(C=C1)F)/C(=O)O Z1350606414 [0,1,0,0,0,1|1,0,1]=4 551 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)N Z1551999220 [0,1,0,0,0,1|2,0,0]=4 552 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)O Z513659390 [0,1,0,0,0,1|1,0,0]=3 553 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O Z513659166 [0,1,0,0,0,1|1,0,0]=3 554 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)O Z513658938 [0,1,0,0,0,1|1,0,0]=3 555 B13R1.133 CC(CC1=CC=C(C=C1)N)C(=O)O Z1262515083 [0,1,0,0,0,1|1,0,0]=3 556 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O Z56347385 [0,1,0,0,0,1|1,0,0]=3 557 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)N Z19727416 [0,1,0,0,0,1|2,0,0]=4 558 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O Z56922097 [0,1,0,0,0,1|1,0,0]=3 559 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O Z90662162 [0,1,0,0,0,1|1,0,0]=3 560 B13R1.133 CC(OC1=CC=C(C=C1)O)C(=O)N Z381414584 [0,1,0,0,0,1|2,0,0]=4 561 B13R1.133 CC(SC1=CC=C(C=C1)Br)C(=O)N Z18744282 [0,1,0,0,0,1|2,0,0]=4 562 B13R1.133 CC(SC1=CC=C(C=C1)Br)C(=O)O Z56278798 [0,1,0,0,0,1|1,0,0]=3 563 B13R1.133 CC(SC1=CC=C(C=C1)Cl)C(=O)O Z55179957 [0,1,0,0,0,1|1,0,0]=3 564 B13R1.133 CC(SC1=CC=C(C=C1)F)C(=O)N Z16034529 [0,1,0,0,0,1|2,0,0]=4 565 B13R1.133 CC(SC1=CC=C(C=C1)F)C(=O)O Z56279369 [0,1,0,0,0,1|1,0,0]=3 566 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O Z271004544 [0,1,0,0,0,1|0,0,2]=4 567 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O Z513658700 [0,1,0,0,0,1|1,0,0]=3 568 B13R1.133 CC1=CC=C(C=C1)NC(=O)C(=O)O Z57984667 [0,1,0,0,0,1|0,0,2]=4 569 B13R1.133 CC1=CC=C(C=C1)OC(C)C(=O)O Z56915889 [0,1,0,0,0,1|1,0,0]=3 570 B13R1.133 CC1=CC=C(C=C1)SC(C)C(=O)N Z18769844 [0,1,0,0,0,1|2,0,0]=4 571 B13R1.133 CC1=CC=C(C=C1)SC(C)C(=O)O Z56278800 [0,1,0,0,0,1|1,0,0]=3 572 B13R1.133 C[C@H](OC1=CC=C(C=C1)Cl)C(=O)O Z1508916088 [0,1,0,0,0,1|1,0,0]=3 573 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)Cl Z2065464318 [0,1,0,0,0,1|2,0,0]=4 574 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O Z3211890270 [0,1,0,0,0,1|2,0,0]=4 575 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O Z317024982 [0,1,0,0,0,1|1,0,0]=3 576 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O Z57969728 [0,1,0,0,0,1|1,0,0]=3 577 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O Z1263631851 [0,1,0,0,0,1|1,0,0]=3 578 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [0,1,0,0,0,1|1,0,0]=3 579 B13R1.133 NC(CC1=CN=C(C=C1)O)C(=O)O Z3543676837 [0,1,0,0,0,1|2,0,0]=4 580 B13R1.133 NC(CC1=NC=C(C=C1)Cl)C(=O)O Z3499018105 [0,1,0,0,0,1|2,0,0]=4 581 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O Z995228058 [0,1,0,0,0,1|1,0,0]=3 582 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O Z1269142887 [0,1,0,0,0,1|1,0,0]=3 583 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756440046 [0,1,0,0,0,1|1,0,0]=3 584 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O Z995228428 [0,1,0,0,0,1|1,0,0]=3 585 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O Z995228438 [0,1,0,0,0,1|1,0,0]=3 586 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O Z1269112635 [0,1,0,0,0,1|1,0,0]=3 587 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O Z969739284 [0,1,0,0,0,1|1,0,0]=3 588 B13R1.133 O=C(O)C(=O)NC1=CC=C(C=C1)Cl Z90122505 [0,1,0,0,0,1|0,0,2]=4 589 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)F Z57388220 [0,1,0,0,0,1|1,0,0]=3 590 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)F Z1255373692 [0,1,0,0,0,1|0,0,0]=2 591 B13R1.135 CNC(=O)C(C)OC1=CC=CC=C1 Z32016970 [0,1,0,0,0,1|2,0,0]=4 592 B13R1.135 CNC(=O)C(C)SC1=CC=CC=C1 Z30271703 [0,1,0,0,0,1|2,0,0]=4 593 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 Z1449756300 [0,1,0,0,0,1|2,0,0]=4 594 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 Z56867313 [0,1,0,0,0,1|1,0,0]=3 595 B13R1.135 COC(=O)C(N)CC1=CC=NC=C1 Z2197092950 [0,1,0,0,0,1|2,0,0]=4 596 B13R1.148 CC(CC1=CC(=CC=C1)Cl)C(=O)O Z513660282 [0,1,0,0,0,1|1,0,0]=3 597 B13R1.148 CC(CC1=CC(=CC=C1)F)C(=O)O Z513660066 [0,1,0,0,0,1|1,0,0]=3 598 B13R1.148 CC(OC1=CC(=CC=C1)Br)C(=O)O Z228583330 [0,1,0,0,0,1|1,0,0]=3 599 B13R1.148 CC(OC1=CC(=CC=C1)Cl)C(=O)N Z19740686 [0,1,0,0,0,1|2,0,0]=4 600 B13R1.148 CC(OC1=CC(=CC=C1)Cl)C(=O)O Z57042071 [0,1,0,0,0,1|1,0,0]=3 601 B13R1.148 CC(OC1=CC(=CC=C1)F)C(=O)O Z228583338 [0,1,0,0,0,1|1,0,0]=3 602 B13R1.148 CC(OC1=CC(=CC=C1)N)C(=O)O Z274525908 [0,1,0,0,0,1|1,0,0]=3 603 B13R1.148 CC(OC1=CC(=CC=C1)O)C(=O)N Z381415416 [0,1,0,0,0,1|2,0,0]=4 604 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O Z2470414651 [0,1,0,0,0,1|1,0,0]=3 605 B13R1.148 CC1=CC(=CN=C1)CC(N)C(=O)O Z3401637181 [0,1,0,0,0,1|2,0,0]=4 606 B13R1.148 CC1=CC=CC(=C1)OC(C)C(=O)N Z19732836 [0,1,0,0,0,1|2,0,0]=4 607 B13R1.148 CC1=CC=CC(=C1)OC(C)C(=O)O Z56917379 [0,1,0,0,0,1|1,0,0]=3 608 B13R1.148 CC1=NC(=CC=C1)CC(N)C(=O)O Z4910394436 [0,1,0,0,0,1|2,0,0]=4 609 B13R1.148 C[N+]1=CC(=CC=C1)CC(N)C(=O)O Z3827376923 [0,1,0,0,0,1|2,0,0]=4 610 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O Z1770192944 [0,1,0,0,0,1|1,0,0]=3 611 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O Z1374884687 [0,1,0,0,0,1|1,0,0]=3 612 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O Z317025828 [0,1,0,0,0,1|1,0,0]=3 613 B13R1.148 NC(CC1=CC(=CN=C1)Br)C(=O)O Z3444795124 [0,1,0,0,0,1|2,0,0]=4 614 B13R1.148 NC(CC1=CC(=CN=C1)Cl)C(=O)O Z3353591955 [0,1,0,0,0,1|2,0,0]=4 615 B13R1.148 NC(CC1=CC(=CN=C1)F)C(=O)O Z3376051877 [0,1,0,0,0,1|2,0,0]=4 616 B13R1.148 NC(CC1=CC(=CN=C1)O)C(=O)O Z3400819408 [0,1,0,0,0,1|2,0,0]=4 617 B13R1.148 NC(CC1=CC(=NC=C1)O)C(=O)O Z3481534727 [0,1,0,0,0,1|2,0,0]=4 618 B13R1.148 NC(CC1=NC=CC(=C1)Cl)C(=O)O Z3780525124 [0,1,0,0,0,1|2,0,0]=4 619 B13R1.148 NC1=CC(=NC=C1)CC(N)C(=O)O Z3400147310 [0,1,0,0,0,1|2,0,0]=4 620 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O Z995228186 [0,1,0,0,0,1|1,0,0]=3 621 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O Z995228562 [0,1,0,0,0,1|1,0,0]=3 622 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)Cl Z1269030667 [0,1,0,0,0,1|0,0,0]=2 623 B13R1.152 CC(C(=O)O)C(N)C1=CC=CC=C1 Z1272096620 [0,1,0,0,0,1|1,0,0]=3 624 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)N Z2182115487 [0,1,0,0,0,1|2,0,0]=4 625 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O Z802846100 [0,1,0,0,0,1|1,0,0]=3 626 B13R1.152 CC(C1=CC=CC=C1)C(O)C(=O)O Z802846688 [0,1,0,0,0,1|0,0,0]=2 627 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 Z1649893051 [0,1,0,0,0,1|1,0,0]=3 628 B13R1.202 CC(CC1=C(C=CC=C1)Cl)C(=O)O Z513661398 [0,1,0,0,0,1|1,0,0]=3 629 B13R1.202 CC(CC1=C(C=CC=C1)F)C(=O)O Z513661176 [0,1,0,0,0,1|1,0,0]=3 630 B13R1.202 CC(OC1=C(C=CC=C1)Br)C(=O)O Z228583522 [0,1,0,0,0,1|1,0,0]=3 631 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)N Z19726502 [0,1,0,0,0,1|2,0,0]=4 632 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O Z65532924 [0,1,0,0,0,1|1,0,0]=3 633 B13R1.202 CC(OC1=C(C=CC=C1)F)C(=O)O Z65532537 [0,1,0,0,0,1|1,0,0]=3 634 B13R1.202 CC(SC1=C(C=CC=C1)Br)C(=O)N Z166221244 [0,1,0,0,0,1|2,0,0]=4 635 B13R1.202 CC(SC1=C(C=CC=C1)Cl)C(=O)N Z18459330 [0,1,0,0,0,1|2,0,0]=4 636 B13R1.202 CC(SC1=C(C=CC=C1)Cl)C(=O)O Z56278782 [0,1,0,0,0,1|1,0,0]=3 637 B13R1.202 CC(SC1=C(C=CC=C1)F)C(=O)N Z18098319 [0,1,0,0,0,1|2,0,0]=4 638 B13R1.202 CC1=C(C=CC=C1)CC(C)C(=O)O Z513660952 [0,1,0,0,0,1|1,0,0]=3 639 B13R1.202 CC1=C(C=CC=C1)OC(C)C(=O)N Z19733750 [0,1,0,0,0,1|2,0,0]=4 640 B13R1.202 NC(=O)C(N)CC1=C(C=CC=C1)Cl Z1258519447 [0,1,0,0,0,1|2,0,0]=4 641 B13R1.202 NC(CC1=C(C=CC=C1)Br)C(=O)O Z2217033050 [0,1,0,0,0,1|1,0,0]=3 642 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O Z1065645436 [0,1,0,0,0,1|1,0,0]=3 643 B13R1.202 NC(CC1=C(N=CC=C1)O)C(=O)O Z3492296846 [0,1,0,0,0,1|2,0,0]=4 644 B13R1.202 O=C(O)C(O)CC1=C(C=CC=C1)Cl Z1269030424 [0,1,0,0,0,1|0,0,0]=2 645 B13R1.353 O=S(=O)([O-])C(O)CC1=CC=CC=C1 Z1836638623 [0,1,0,0,0,1|1,0,1]=4 646 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)O Z513624620 [0,1,0,0,0,1|1,0,0]=3 647 B13R1.418 CCC(NC1=CC=CC=C1)C(=O)N Z727617676 [0,1,0,0,0,1|2,0,0]=4 648 B13R1.418 CCC(NC1=CC=CC=C1)C(=O)O Z274534828 [0,1,0,0,0,1|1,0,0]=3 649 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O Z104484470 [0,1,0,0,0,1|1,0,0]=3 650 B13R1.418 CCC(SC1=CC=CC=C1)C(=O)O Z149157470 [0,1,0,0,0,1|1,0,0]=3 651 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O Z446011606 [0,1,0,0,0,1|1,0,0]=3 652 B13R1.418 COC(CC1=CC=CC=C1)C(=O)N Z2233706113 [0,1,0,0,0,1|1,0,0]=3 653 B13R1.418 COC(CC1=CC=CC=C1)C(=O)O Z1258977185 [0,1,0,0,0,1|0,0,0]=2 654 B13R1.418 N#C/C(=C/C1=CC=CC=C1)/C(=O)O Z44303374 [0,1,0,0,0,1|1,0,1]=4 655 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O Z1258578382 [0,1,0,0,0,1|1,0,0]=3 656 B13R1.418 NCC(CC1=CC=NC=C1)C(=O)O Z2382197013 [0,1,0,0,0,1|2,0,0]=4 657 B13R1.418 NCC(CC1=CN=CC=C1)C(=O)O Z1601464443 [0,1,0,0,0,1|2,0,0]=4 658 B13R1.418 NCC(CC1=NC=CC=C1)C(=O)O Z1259273372 [0,1,0,0,0,1|2,0,0]=4 659 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O Z995179618 [0,1,0,0,0,1|1,0,0]=3 660 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)N Z727617504 [0,1,0,0,0,1|2,0,0]=4 661 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)O Z274535156 [0,1,0,0,0,1|1,0,0]=3 662 B13R1.1073 CC(C)(NC1=NC=CC=C1)C(=O)O Z1416165025 [0,1,0,0,0,1|2,0,0]=4 663 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O Z640389616 [0,1,0,0,0,1|1,0,0]=3 664 B13R1.1073 CC(C)(OC1=CN=CC=C1)C(=O)O Z1255405619 [0,1,0,0,0,1|2,0,0]=4 665 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O Z2680629352 [0,1,0,0,0,1|1,0,0]=3 666 B13R1.1073 CC(N)(CC1=CC=NC=C1)C(=O)O Z1251361035 [0,1,0,0,0,1|2,0,0]=4 667 B13R1.1073 CC(N)(CC1=NC=CC=C1)C(=O)O Z4830335089 [0,1,0,0,0,1|2,0,0]=4 668 B13R1.1073 CC(O)(CC1=CC=CC=C1)C(=O)O Z1079110682 [0,1,0,0,0,1|0,0,0]=2 669 B13R1.1073 C[C@@](O)(CC1=CC=CC=C1)C(=O)O Z1198165765 [0,1,0,0,0,1|0,0,0]=2 670 B13R1.1073 C[C@](O)(CC1=CC=CC=C1)C(=O)O Z1198165764 [0,1,0,0,0,1|0,0,0]=2 671 B13R1.1073 O=C(O)C(F)(F)OC1=CC=CC=C1 Z445134424 [0,1,0,0,0,1|1,0,0]=3 672 B13R1.11 C=CC(=O)N[C@@H](C)C1=CC=CC=C1 Z1165166436 [0,1,0,0,0,1|2,0,0]=4 673 B13R1.11 C=CC(=O)N[C@H](C)C1=CC=CC=C1 Z1165166451 [0,1,0,0,0,1|2,0,0]=4 674 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 Z56891403 [0,1,0,0,0,1|2,0,0]=4 675 B13R1.11 CCC(=O)NC(C)C1=CC=CC=C1 Z31450130 [0,1,0,0,0,1|2,0,0]=4 676 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 Z139720848 [0,1,0,0,0,1|1,0,0]=3 677 B13R1.11 C[C@@H](NC(=O)CCl)C1=CC=CC=C1 Z1165166439 [0,1,0,0,0,1|2,0,0]=4 678 B13R1.132 C/C(=C\C(=O)O)/C1=CC=C(C=C1)F Z352747294 [0,1,0,0,0,1|1,0,1]=4 679 B13R1.132 CC(=O)NC(C)C1=CC=C(C=C1)Br Z28030902 [0,1,0,0,0,1|2,0,0]=4 680 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br Z1269234118 [0,1,0,0,0,1|1,0,0]=3 681 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)F Z352782250 [0,1,0,0,0,1|1,0,0]=3 682 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)N Z1262514048 [0,1,0,0,0,1|1,0,0]=3 683 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O Z352782406 [0,1,0,0,0,1|1,0,0]=3 684 B13R1.132 CC1=CC=C(C=C1)C(N)CC(=O)O Z56912034 [0,1,0,0,0,1|1,0,0]=3 685 B13R1.132 NC(=O)C[C@@H](N)C1=CC=C(C=C1)Cl Z1346385388 [0,1,0,0,0,1|2,0,0]=4 686 B13R1.132 NC(=O)C[C@@H](N)C1=CC=C(C=C1)F Z1696091886 [0,1,0,0,0,1|2,0,0]=4 687 B13R1.132 NC(=O)C[C@H](N)C1=CC=C(C=C1)Cl Z756926884 [0,1,0,0,0,1|2,0,0]=4 688 B13R1.132 NC(=O)C[C@H](N)C1=CC=C(C=C1)F Z1696290104 [0,1,0,0,0,1|2,0,0]=4 689 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br Z147647162 [0,1,0,0,0,1|1,0,0]=3 690 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Cl Z56899122 [0,1,0,0,0,1|1,0,0]=3 691 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)F Z56921163 [0,1,0,0,0,1|1,0,0]=3 692 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Br Z1696824108 [0,1,0,0,0,1|1,0,0]=3 693 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)F Z4935533100 [0,1,0,0,0,1|1,0,0]=3 694 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)Cl Z982132070 [0,1,0,0,0,1|0,0,0]=2 695 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)F Z982132094 [0,1,0,0,0,1|0,0,0]=2 696 B13R1.132 O=C(O)CS(=O)C1=CC=C(C=C1)Cl Z802568764 [0,1,0,0,0,1|1,0,1]=4 697 B13R1.147 C/C(=C\C(=O)O)/C1=CC(=CC=C1)Br Z352748382 [0,1,0,0,0,1|1,0,1]=4 698 B13R1.147 C/C(=C\C(=O)O)/C1=CC(=CC=C1)Cl Z352746932 [0,1,0,0,0,1|1,0,1]=4 699 B13R1.147 C/C(=C\C(=O)O)/C1=CC(=CC=C1)F Z352748162 [0,1,0,0,0,1|1,0,1]=4 700 B13R1.147 CC(=O)NC(C)C1=CC(=CC=C1)Br Z355054578 [0,1,0,0,0,1|2,0,0]=4 701 B13R1.147 CC(=O)NC(C)C1=CC(=CC=C1)Cl Z27637837 [0,1,0,0,0,1|2,0,0]=4 702 B13R1.147 CC(=O)NC(C)C1=CC(=CC=C1)F Z28545555 [0,1,0,0,0,1|2,0,0]=4 703 B13R1.147 CC(CC(=O)O)C1=CC(=CC=C1)F Z352781822 [0,1,0,0,0,1|1,0,0]=3 704 B13R1.147 CC1=CC(=CC=C1)C(N)CC(=O)O Z317027260 [0,1,0,0,0,1|1,0,0]=3 705 B13R1.147 NC(=O)C[C@@H](N)C1=CC(=CC=C1)Cl Z1346385500 [0,1,0,0,0,1|2,0,0]=4 706 B13R1.147 NC(=O)C[C@H](N)C1=CC(=CC=C1)Cl Z756926892 [0,1,0,0,0,1|2,0,0]=4 707 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)Br Z56899123 [0,1,0,0,0,1|1,0,0]=3 708 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)Cl Z317027314 [0,1,0,0,0,1|1,0,0]=3 709 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)O Z352252742 [0,1,0,0,0,1|1,0,0]=3 710 B13R1.147 NC1=CC=CC(=C1)C(N)CC(=O)O Z1198161215 [0,1,0,0,0,1|1,0,0]=3 711 B13R1.147 O=C(O)CC(O)C1=CC(=CC=C1)F Z982132016 [0,1,0,0,0,1|0,0,0]=2 712 B13R1.201 C/C(=C\C(=O)O)/C1=C(C=CC=C1)F Z352747962 [0,1,0,0,0,1|1,0,1]=4 713 B13R1.201 CC(=O)NC(C)C1=C(C=CC=C1)Br Z28116257 [0,1,0,0,0,1|2,0,0]=4 714 B13R1.201 CC(CC(=O)O)C1=C(C=CC=C1)Br Z729841796 [0,1,0,0,0,1|1,0,0]=3 715 B13R1.201 CC(CC(=O)O)C1=C(C=CC=C1)F Z352782394 [0,1,0,0,0,1|1,0,0]=3 716 B13R1.201 CC1=C(C=CC=C1)/C(=C/C(=O)O)/C Z352748716 [0,1,0,0,0,1|1,0,1]=4 717 B13R1.201 CC1=C(C=CC=C1)C(C)CC(=O)O Z352782580 [0,1,0,0,0,1|1,0,0]=3 718 B13R1.201 CC1=C(C=CC=C1)C(N)CC(=O)O Z317027322 [0,1,0,0,0,1|1,0,0]=3 719 B13R1.201 CC1=C(C=CC=C1)[C@@H](N)CC(=O)O Z1270399998 [0,1,0,0,0,1|1,0,0]=3 720 B13R1.201 NC(=O)C[C@@H](N)C1=C(C=CC=C1)Cl Z1346385532 [0,1,0,0,0,1|2,0,0]=4 721 B13R1.201 NC(=O)C[C@H](N)C1=C(C=CC=C1)Cl Z1696289879 [0,1,0,0,0,1|2,0,0]=4 722 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)Cl Z56854346 [0,1,0,0,0,1|1,0,0]=3 723 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)F Z56782527 [0,1,0,0,0,1|1,0,0]=3 724 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 Z752371312 [0,1,0,0,0,1|1,0,0]=3 725 B13R1.347 CC(O)(CC(=O)O)C1=CC=CC=C1 Z982131900 [0,1,0,0,0,1|0,0,0]=2 726 B13R1.352 CS(=O)(=O)CC(O)C1=CC=CC=C1 Z822382694 [0,1,0,0,0,1|1,0,1]=4 727 B13R1.713 C#CC(OC(=O)N)C1=CC=CC=C1 Z1198155485 [0,1,0,0,0,1|2,0,0]=4 728 B13R1.713 C=CC(CC(=O)O)C1=CC=CC=C1 Z1262511239 [0,1,0,0,0,1|1,0,0]=3 729 B13R1.713 CC(=O)NC(CO)C1=CC=CC=C1 Z1097082934 [0,1,0,0,0,1|1,0,0]=3 730 B13R1.713 CC/C(=C\C(=O)O)/C1=CC=CC=C1 Z352748324 [0,1,0,0,0,1|1,0,1]=4 731 B13R1.713 CCC(CC(=O)O)C1=CC=CC=C1 Z352782018 [0,1,0,0,0,1|1,0,0]=3 732 B13R1.713 CCN(CC(=O)O)C1=CC=CC=C1 Z763029850 [0,1,0,0,0,1|2,0,0]=4 733 B13R1.713 CNC(CC(=O)N)C1=CC=CC=C1 Z1973465546 [0,1,0,0,0,1|2,0,0]=4 734 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 Z1255487817 [0,1,0,0,0,1|1,0,0]=3 735 B13R1.713 NCC(CC(=O)O)C1=CC=NC=C1 Z2901973961 [0,1,0,0,0,1|2,0,0]=4 736 B13R1.21 CNC(=O)C(C)C1=CC=C(C=C1)F Z3046025591 [0,2,0,0,0,0|2,0,0]=4 737 B13R1.21 CNC(=O)C(N)C1=CC=C(C=C1)C Z1967532451 [0,2,0,0,0,0|2,0,0]=4 738 B13R1.21 COC(=O)C(Br)C1=CC=C(C=C1)F Z198750882 [0,2,0,0,0,0|1,0,0]=3 739 B13R1.21 COC(=O)C(C)C1=CC=C(C=C1)Br Z1269137336 [0,2,0,0,0,0|1,0,0]=3 740 B13R1.21 COC(=O)C(N)C1=CC=C(C=C1)Br Z935140730 [0,2,0,0,0,0|1,0,0]=3 741 B13R1.21 COC(=O)C(N)C1=CC=C(C=C1)C Z477336198 [0,2,0,0,0,0|1,0,0]=3 742 B13R1.21 COC(=O)C(N)C1=CC=C(C=C1)Cl Z1297773503 [0,2,0,0,0,0|1,0,0]=3 743 B13R1.21 COC(=O)C(N)C1=CC=C(C=C1)I Z4541682932 [0,2,0,0,0,0|1,0,0]=3 744 B13R1.21 COC(=O)C(O)C1=CC=C(C=C1)F Z847296298 [0,2,0,0,0,0|0,0,0]=2 745 B13R1.21 COC(=O)N(C)C1=CC=C(C=C1)N Z359383836 [0,2,0,0,0,0|2,0,0]=4 746 B13R1.21 COC(=O)N(C)C1=CC=C(C=C1)O Z335809972 [0,2,0,0,0,0|2,0,0]=4 747 B13R1.21 NC(CO)C(O)C1=CC=C(C=C1)Cl Z2670838766 [0,2,0,0,0,0|1,0,1]=4 748 B13R1.36 CC(C(=O)O)C1=CC=C(C=C1)C=O Z1198177006 [0,2,0,0,0,0|1,0,0]=3 749 B13R1.36 CCC1=CC=C(C=C1)C(C)C(=O)O Z792377226 [0,2,0,0,0,0|1,0,0]=3 750 B13R1.36 CCC1=CC=C(C=C1)C(N)C(=O)O Z317024600 [0,2,0,0,0,0|1,0,0]=3 751 B13R1.36 COC1=CC=C(C=C1)C(C)C(=O)C Z1276728136 [0,2,0,0,0,0|2,0,0]=4 752 B13R1.36 COC1=CC=C(C=C1)C(C)C(=O)O Z792377298 [0,2,0,0,0,0|1,0,0]=3 753 B13R1.36 COC1=CC=C(C=C1)C(N)C(=O)O Z56755722 [0,2,0,0,0,0|1,0,0]=3 754 B13R1.36 N#CC1=CC=C(C=C1)C(O)C(=O)O Z1262556648 [0,2,0,0,0,0|0,0,0]=2 755 B13R1.36 NC(C(=O)O)C1=CC=C(C=C1)CO Z2510296391 [0,2,0,0,0,0|1,0,0]=3 756 B13R1.163 CC(C(=O)O)C1=C(C=C(C=C1)Br)F Z1558353210 [0,2,0,0,0,0|1,0,0]=3 757 B13R1.163 CC(C(=O)O)C1=C(C=C(C=C1)F)F Z792377188 [0,2,0,0,0,0|1,0,0]=3 758 B13R1.163 CC1=C(C=CC(=C1)F)C(O)C(=O)O Z959357232 [0,2,0,0,0,0|0,0,0]=2 759 B13R1.163 NC(C(=O)O)C1=C(C=C(C=C1)Cl)Cl Z317024702 [0,2,0,0,0,0|1,0,0]=3 760 B13R1.163 NC(C(=O)O)C1=C(C=C(C=C1)F)F Z317024642 [0,2,0,0,0,0|1,0,0]=3 761 B13R1.163 O=C(O)C(O)C1=C(C=C(C=C1)Cl)F Z1269228399 [0,2,0,0,0,0|0,0,0]=2 762 B13R1.510 CC(C(=O)O)C1=CC(=C(C=C1)Cl)Cl Z992423142 [0,2,0,0,0,0|1,0,0]=3 763 B13R1.510 CC(C(=O)O)C1=CC(=C(C=C1)F)F Z792377186 [0,2,0,0,0,0|1,0,0]=3 764 B13R1.510 CC1=C(C=C(C=C1)C(C)C(=O)O)Br Z1813162631 [0,2,0,0,0,0|1,0,0]=3 765 B13R1.510 CC1=C(C=CC(=C1)C(=O)C(=O)O)F Z1255356879 [0,2,0,0,0,0|0,0,2]=4 766 B13R1.510 CC1=C(C=CC(=C1)C(C)C(=O)O)Br Z1813181647 [0,2,0,0,0,0|1,0,0]=3 767 B13R1.510 CC1=C(C=CC(=C1)C(N)C(=O)O)Cl Z1198640890 [0,2,0,0,0,0|1,0,0]=3 768 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)Cl)Cl Z317024644 [0,2,0,0,0,0|1,0,0]=3 769 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)Cl)F Z1696091766 [0,2,0,0,0,0|1,0,0]=3 770 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)F)Cl Z1269179754 [0,2,0,0,0,0|1,0,0]=3 771 B13R1.510 O=C(O)C(=O)C1=CC(=C(C=C1)F)F Z381360892 [0,2,0,0,0,0|0,0,2]=4 772 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)Cl)Br Z1269204407 [0,2,0,0,0,0|0,0,0]=2 773 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)Cl)Cl Z788000702 [0,2,0,0,0,0|0,0,0]=2 774 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)Cl)F Z838972312 [0,2,0,0,0,0|0,0,0]=2 775 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)F)Cl Z1269153543 [0,2,0,0,0,0|0,0,0]=2 776 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)F)F Z788000624 [0,2,0,0,0,0|0,0,0]=2 777 B13R1.522 CC(=O)C(C)(C)C1=CC=C(C=C1)F Z406677002 [0,2,0,0,0,0|2,0,0]=4 778 B13R1.522 CC(=O)C(F)(F)C1=CC=C(C=C1)Br Z1861995091 [0,2,0,0,0,0|2,0,0]=4 779 B13R1.522 CC(C)(C(=O)N)C1=CC=C(C=C1)F Z1102068247 [0,2,0,0,0,0|2,0,0]=4 780 B13R1.522 CC(C)(C(=O)N)C1=CC=C(C=C1)N Z1238509879 [0,2,0,0,0,0|2,0,0]=4 781 B13R1.522 CC(C)(C(=O)O)C1=CC=C(C=C1)Br Z415660212 [0,2,0,0,0,0|1,0,0]=3 782 B13R1.522 CC(C)(C(=O)O)C1=CC=C(C=C1)Cl Z606339610 [0,2,0,0,0,0|1,0,0]=3 783 B13R1.522 CC(C)(C(=O)O)C1=CC=C(C=C1)F Z725146444 [0,2,0,0,0,0|1,0,0]=3 784 B13R1.522 CC(C)(C(=O)O)C1=CC=C(C=C1)N Z1235993363 [0,2,0,0,0,0|1,0,0]=3 785 B13R1.522 CC(C)(C(=O)O)C1=CC=C(C=C1)O Z1258981351 [0,2,0,0,0,0|1,0,0]=3 786 B13R1.522 CC(C)(C(=O)O)C1=CN=C(C=C1)N Z1762997301 [0,2,0,0,0,0|2,0,0]=4 787 B13R1.522 CC(N)(C(=O)O)C1=CC=C(C=C1)Br Z317024914 [0,2,0,0,0,0|1,0,0]=3 788 B13R1.522 CC(N)(C(=O)O)C1=CC=C(C=C1)Cl Z317024852 [0,2,0,0,0,0|1,0,0]=3 789 B13R1.522 CC(N)(C(=O)O)C1=CC=C(C=C1)F Z317024742 [0,2,0,0,0,0|1,0,0]=3 790 B13R1.522 CC(N)(C(=O)O)C1=CC=C(C=C1)O Z1255523384 [0,2,0,0,0,0|1,0,0]=3 791 B13R1.522 CC(O)(C(=O)O)C1=CC=C(C=C1)Cl Z788000388 [0,2,0,0,0,0|0,0,0]=2 792 B13R1.522 CC(O)(C(=O)O)C1=CC=C(C=C1)F Z788000970 [0,2,0,0,0,0|0,0,0]=2 793 B13R1.522 CC1=CC=C(C=C1)C(C)(C)C(=O)O Z725146466 [0,2,0,0,0,0|1,0,0]=3 794 B13R1.522 CC1=CN=C(C=C1)C(F)(F)C(=O)O Z3773488335 [0,2,0,0,0,0|2,0,0]=4 795 B13R1.522 CC1=NC=C(C=C1)C(F)(F)C(=O)O Z1889872506 [0,2,0,0,0,0|2,0,0]=4 796 B13R1.522 O=C(O)C(F)(F)C1=CC=C(C=C1)Cl Z335859722 [0,2,0,0,0,0|1,0,0]=3 797 B13R1.522 O=C(O)C(F)(F)C1=CC=C(C=C1)F Z335859720 [0,2,0,0,0,0|1,0,0]=3 798 B13R1.522 O=C(O)C(F)(F)C1=NC=C(C=C1)F Z1255460797 [0,2,0,0,0,0|2,0,0]=4 799 B13R1.706 CC(=O)C(C#N)C1=CC=C(C=C1)C Z1020843668 [0,2,0,0,0,0|2,0,0]=4 800 B13R1.706 CC(=O)C(C#N)C1=CC=C(C=C1)Cl Z56985774 [0,2,0,0,0,0|2,0,0]=4 801 B13R1.706 CC(=O)C(C#N)C1=CC=C(C=C1)F Z234485044 [0,2,0,0,0,0|2,0,0]=4 802 B13R1.706 CCC(C(=O)O)C1=CC=C(C=C1)Cl Z982129852 [0,2,0,0,0,0|1,0,0]=3 803 B13R1.706 CCC(C(=O)O)C1=CC=C(C=C1)F Z792377316 [0,2,0,0,0,0|1,0,0]=3 804 B13R1.706 CNC(C(=O)N)C1=CC=C(C=C1)Cl Z450953536 [0,2,0,0,0,0|2,0,0]=4 805 B13R1.706 CNC(C(=O)O)C1=CC=C(C=C1)F Z446011670 [0,2,0,0,0,0|1,0,0]=3 806 B13R1.706 COC(C(=O)O)C1=CC=C(C=C1)O Z1262556696 [0,2,0,0,0,0|0,0,0]=2 807 B13R1.706 NCC(C(=O)O)C1=CC=C(C=C1)Cl Z3244719959 [0,2,0,0,0,0|1,0,0]=3 808 B13R1.706 NCC(C(=O)O)C1=CC=C(C=C1)F Z3244719948 [0,2,0,0,0,0|1,0,0]=3 809 B13R1.706 O=C(O)C(CO)C1=CC=C(C=C1)Cl Z1508925263 [0,2,0,0,0,0|0,0,0]=2 810 B13R1.22 COC(=O)C(C)C1=CC(=CC=C1)Br Z1269138350 [0,2,0,0,0,0|1,0,0]=3 811 B13R1.22 COC(=O)C(C)C1=CC(=CC=C1)N Z2301438517 [0,2,0,0,0,0|1,0,0]=3 812 B13R1.22 COC(=O)C(N)C1=CC(=CC=C1)I Z3485465447 [0,2,0,0,0,0|1,0,0]=3 813 B13R1.22 COC(=O)C(O)C1=CC(=CC=C1)C Z965047474 [0,2,0,0,0,0|0,0,0]=2 814 B13R1.22 COC(=O)C(O)C1=CC(=CC=C1)Cl Z965047532 [0,2,0,0,0,0|0,0,0]=2 815 B13R1.22 COC(=O)C(O)C1=CC(=CC=C1)I Z2031668793 [0,2,0,0,0,0|0,0,0]=2 816 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 Z94598662 [0,2,0,0,0,0|0,0,2]=4 817 B13R1.47 CCOC(=O)C(N)C1=CC=CC=C1 Z2755013956 [0,2,0,0,0,0|1,0,0]=3 818 B13R1.47 CCOC(=O)C(O)C1=CN=CC=C1 Z1250132260 [0,2,0,0,0,0|1,0,0]=3 819 B13R1.47 CCOC(=O)[C@H](N)C1=CC=CC=C1 Z1274177321 [0,2,0,0,0,0|1,0,0]=3 820 B13R1.47 COCC(=O)N(C)C1=CC=CC=C1 Z31506650 [0,2,0,0,0,0|2,0,0]=4 821 B13R1.532 CCC(C(=O)NC)C1=CC=CC=C1 Z68248483 [0,2,0,0,0,0|2,0,0]=4 822 B13R1.532 CCC(C(=O)NN)C1=CC=CC=C1 Z58981995 [0,2,0,0,0,0|2,0,0]=4 823 B13R1.532 CNC(C(=O)OC)C1=CC=CC=C1 Z1250089986 [0,2,0,0,0,0|1,0,0]=3 824 B13R1.532 COC(=O)C(CN)C1=CC=CC=C1 Z1262398527 [0,2,0,0,0,0|1,0,0]=3 825 B13R1.696 CNC(=O)C(N)C1=C(C=CC=C1)F Z5443636126 [0,2,0,0,0,0|2,0,0]=4 826 B13R1.696 COC(=O)C(Br)C1=C(C=CC=C1)Cl Z203888402 [0,2,0,0,0,0|1,0,0]=3 827 B13R1.696 COC(=O)C(N)C1=C(C=CC=C1)Cl Z1297773506 [0,2,0,0,0,0|1,0,0]=3 828 B13R1.696 COC(=O)C(N)C1=C(C=CC=C1)F Z1416282604 [0,2,0,0,0,0|1,0,0]=3 829 B13R1.696 COC(=O)C(N)C1=C(C=CC=C1)I Z2941379076 [0,2,0,0,0,0|1,0,0]=3 830 B13R1.696 COC(=O)C(N)C1=C(C=CC=C1)O Z1222424539 [0,2,0,0,0,0|1,0,0]=3 831 B13R1.708 CC(C)(C(=O)CCl)C1=CC=CC=C1 Z1262489088 [0,2,0,0,0,0|2,0,0]=4 832 B13R1.708 CC(C)(C(=O)NO)C1=CC=CC=C1 Z59183852 [0,2,0,0,0,0|1,0,0]=3 833 B13R1.708 CCC(=O)C(C)(C)C1=CC=CC=C1 Z1082244570 [0,2,0,0,0,0|2,0,0]=4 834 B13R1.708 CNC(=O)C(C)(C)C1=CC=CC=C1 Z252380220 [0,2,0,0,0,0|2,0,0]=4 835 B13R1.708 COC(=O)C(C)(N)C1=CC=CC=C1 Z1263529567 [0,2,0,0,0,0|1,0,0]=3 836 B13R1.708 COC(=O)C(C)(O)C1=CC=CC=C1 Z965047342 [0,2,0,0,0,0|0,0,0]=2 837 B13R1.89 COC1=C(C=CC=C1)C(=O)C(=O)O Z1255489035 [0,2,0,0,0,0|0,0,2]=4 838 B13R1.89 COC1=C(C=CC=C1)C(N)C(=O)O Z317024652 [0,2,0,0,0,0|1,0,0]=3 839 B13R1.720 CC(=O)C(C#N)C1=C(C=CC=C1)Cl Z858030030 [0,2,0,0,0,0|2,0,0]=4 840 B13R1.720 CNC(C(=O)O)C1=C(C=CC=C1)C Z446011654 [0,2,0,0,0,0|1,0,0]=3 841 B13R1.720 CNC(C(=O)O)C1=C(C=CC=C1)Cl Z1160899454 [0,2,0,0,0,0|1,0,0]=3 842 B13R1.720 COC(C(=O)O)C1=C(C=CC=C1)Br Z1592680739 [0,2,0,0,0,0|0,0,0]=2 843 B13R1.897 NC(C(=O)O)C1=C(C=CC(=C1)F)F Z415636520 [0,2,0,0,0,0|1,0,0]=3 844 B13R1.897 O=C(O)C(=O)C1=C(C=CC(=C1)F)F Z381360846 [0,2,0,0,0,0|0,0,2]=4 845 B13R1.3768 CC1=C(C(=CC=C1)C(N)C(=O)O)C Z1744691758 [0,2,0,0,0,0|1,0,0]=3 846 B13R1.3768 NC(C(=O)O)C1=C(C(=CC=C1)Cl)Cl Z317024582 [0,2,0,0,0,0|1,0,0]=3 847 B13R1.3768 NC(C(=O)O)C1=C(C(=CC=C1)F)F Z1147192955 [0,2,0,0,0,0|1,0,0]=3 848 B13R1.3789 CC(C(=O)O)C1=C(C=CC=C1Cl)Cl Z992202056 [0,2,0,0,0,0|1,0,0]=3 849 B13R1.3789 CC(C(=O)O)C1=C(C=CC=C1F)F Z1188090603 [0,2,0,0,0,0|1,0,0]=3 850 B13R1.3789 NC(C(=O)O)C1=C(C=CC=C1Cl)Cl Z317024586 [0,2,0,0,0,0|1,0,0]=3 851 B13R1.3802 CC(C)(C(=O)O)C1=C(C=CC=C1)Br Z1020847950 [0,2,0,0,0,0|1,0,0]=3 852 B13R1.3802 CC(C)(C(=O)O)C1=C(C=CC=C1)Cl Z858031346 [0,2,0,0,0,0|1,0,0]=3 853 B13R1.3802 CC(C)(C(=O)O)C1=C(C=CC=C1)F Z825741292 [0,2,0,0,0,0|1,0,0]=3 854 B13R1.3802 CC(F)(C(=O)O)C1=C(C=CC=C1)F Z1509054567 [0,2,0,0,0,0|1,0,0]=3 855 B13R1.3802 CC(N)(C(=O)O)C1=C(C=CC=C1)Br Z1259339920 [0,2,0,0,0,0|1,0,0]=3 856 B13R1.3802 CC(N)(C(=O)O)C1=C(C=CC=C1)Cl Z317024842 [0,2,0,0,0,0|1,0,0]=3 857 B13R1.3802 CC(N)(C(=O)O)C1=C(C=CC=C1)F Z317024932 [0,2,0,0,0,0|1,0,0]=3 858 B13R1.3802 CC1=C(C=CC=C1)C(C)(C)C(=O)O Z725146330 [0,2,0,0,0,0|1,0,0]=3 859 B13R1.3802 CC1=C(C=CC=C1)C(F)(F)C(=O)O Z982129398 [0,2,0,0,0,0|1,0,0]=3 860 B13R1.3802 CC1=C(N=CC=C1)C(F)(F)C(=O)O Z1918018510 [0,2,0,0,0,0|2,0,0]=4 861 B13R1.3802 O=C(O)C(F)(F)C1=C(C=CC=C1)Br Z1284998422 [0,2,0,0,0,0|1,0,0]=3 862 B13R1.642 CC(C(=O)O)C1=CC(=CC=C1)C#N Z982130148 [0,2,0,0,0,0|1,0,0]=3 863 B13R1.642 COC1=CC(=CC=C1)C(C)C(=O)O Z784767752 [0,2,0,0,0,0|1,0,0]=3 864 B13R1.642 COC1=CC(=CC=C1)C(N)C(=O)O Z317024678 [0,2,0,0,0,0|1,0,0]=3 865 B13R1.716 CC(=O)C(C#N)C1=CC(=CC=C1)C Z1020842184 [0,2,0,0,0,0|2,0,0]=4 866 B13R1.716 CCC(C(=O)O)C1=CC(=CC=C1)Cl Z982130900 [0,2,0,0,0,0|1,0,0]=3 867 B13R1.716 CNC(C(=O)N)C1=CC(=CC=C1)F Z477328312 [0,2,0,0,0,0|2,0,0]=4 868 B13R1.716 CNC(C(=O)O)C1=CC(=CC=C1)Br Z1552027510 [0,2,0,0,0,0|1,0,0]=3 869 B13R1.716 CNC(C(=O)O)C1=CC(=CC=C1)F Z5105547779 [0,2,0,0,0,0|1,0,0]=3 870 B13R1.3423 CC(C(=O)O)C1=CC(=CC(=C1)F)F Z982129998 [0,2,0,0,0,0|1,0,0]=3 871 B13R1.3423 CC1=CC(=CC(=C1)C(N)C(=O)O)C Z838975722 [0,2,0,0,0,0|1,0,0]=3 872 B13R1.3423 NC(C(=O)O)C1=CC(=CC(=C1)O)O Z3014398879 [0,2,0,0,0,0|1,0,0]=3 873 B13R1.3423 O=C(O)C(=O)C1=CC(=CC(=C1)F)Cl Z1269140151 [0,2,0,0,0,0|0,0,2]=4 874 B13R1.3423 O=C(O)C(O)C1=CC(=CC(=C1)Cl)Cl Z788000918 [0,2,0,0,0,0|0,0,0]=2 875 B13R1.3423 O=C(O)C(O)C1=CC(=CC(=C1)F)F Z1203161883 [0,2,0,0,0,0|0,0,0]=2 876 B13R1.3493 CC(C)(C(=O)N)C1=CC(=CC=C1)Br Z1022691264 [0,2,0,0,0,0|2,0,0]=4 877 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CC=C1)Br Z725146472 [0,2,0,0,0,0|1,0,0]=3 878 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CC=C1)Cl Z725146336 [0,2,0,0,0,0|1,0,0]=3 879 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CC=C1)F Z725146400 [0,2,0,0,0,0|1,0,0]=3 880 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CC=C1)O Z1258979084 [0,2,0,0,0,0|1,0,0]=3 881 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CN=C1)Br Z1269244390 [0,2,0,0,0,0|2,0,0]=4 882 B13R1.3493 CC(N)(C(=O)N)C1=CC(=CC=C1)Cl Z477337870 [0,2,0,0,0,0|2,0,0]=4 883 B13R1.3493 CC(N)(C(=O)O)C1=CC(=CC=C1)Br Z317024850 [0,2,0,0,0,0|1,0,0]=3 884 B13R1.3493 CC(N)(C(=O)O)C1=CC(=CC=C1)F Z317024954 [0,2,0,0,0,0|1,0,0]=3 885 B13R1.3493 CC(O)(C(=O)O)C1=CC(=CC=C1)F Z788000530 [0,2,0,0,0,0|0,0,0]=2 886 B13R1.3493 CC1=CC(=CC=C1)C(F)(F)C(=O)O Z335859730 [0,2,0,0,0,0|1,0,0]=3 887 B13R1.3493 O=C(O)C(F)(F)C1=CC(=CC=C1)Br Z335859736 [0,2,0,0,0,0|1,0,0]=3 888 B13R1.3493 O=C(O)C(F)(F)C1=CC(=CC=C1)Cl Z335859734 [0,2,0,0,0,0|1,0,0]=3 889 B13R1.3085 CCC(N)(C(=O)O)C1=CC=CC=C1 Z317024888 [0,2,0,0,0,0|1,0,0]=3 890 B13R1.3085 CCC(O)(C(=O)O)C1=CC=CC=C1 Z788000464 [0,2,0,0,0,0|0,0,0]=2 891 B13R1.3085 COC(C)(C(=O)O)C1=CC=CC=C1 Z803492240 [0,2,0,0,0,0|0,0,0]=2 892 B13R1.405 CCCC(C(=O)N)C1=CC=CC=C1 Z33547037 [0,2,0,0,0,0|2,0,0]=4 893 B13R1.405 CCCC(C(=O)O)C1=CC=CC=C1 Z56896771 [0,2,0,0,0,0|1,0,0]=3 894 B13R1.405 CCNC(C(=O)O)C1=CC=CC=C1 Z1849006528 [0,2,0,0,0,0|1,0,0]=3 895 B13R1.405 CCOC(C(=O)O)C1=CC=CC=C1 Z316258952 [0,2,0,0,0,0|0,0,0]=2 896 B13R1.405 CSCC(C(=O)O)C1=CC=CC=C1 Z1080732130 [0,2,0,0,0,0|0,1,0]=3 897 B13R1.405 O=C([O-])C(CCO)C1=CC=CC=C1 Z2343512022 [0,2,0,0,0,0|0,0,1]=3 898 B13R1.719 NCC(C1=CC=CC=C1)S(=O)(=O)O Z1509515000 [0,2,0,0,0,0|2,0,0]=4 899 B13R1.1111 CC(=C(C(=O)O)C1=CC=CC=C1)C Z1262510971 [0,2,0,0,0,0|1,0,1]=4 900 B13R1.1111 CC(C)C(C(=O)O)C1=CC=CC=C1 Z982130186 [0,2,0,0,0,0|1,0,0]=3 901 B13R1.1111 CC(C)C(C(=O)O)C1=CN=CC=C1 Z982129826 [0,2,0,0,0,0|2,0,0]=4 902 B13R1.1111 CN(C)C(C(=O)O)C1=CC=CC=C1 Z1118274869 [0,2,0,0,0,0|1,0,0]=3 903 B13R1.1111 CN(C)C(C(=O)O)C1=CN=CC=C1 Z448003318 [0,2,0,0,0,0|2,0,0]=4 904 B13R1.1111 O=C(O)C(C(=O)O)C1=CC=CC=C1 Z277558324 [0,2,0,0,0,0|0,0,0]=2 905 B11R2.1 CC1=COC2=C1C=CC=C2 Z1203161674 [1,0,0,1,0,0|1,0,1]=4 906 B11R2.1 OC1COC2=C1C=CC=C2 Z1267884639 [1,0,0,1,0,0|0,0,1]=3 907 B11R2.1 O[C@@H]1CSC2=C1C=CC=C2 Z1438326029 [1,0,0,1,0,0|0,1,1]=4 908 B11R2.40 CC1(CO1)C2=CC=CC=C2 Z813010616 [1,0,0,1,0,0|1,0,1]=4 909 B11R2.10 BrC1=NC2=C(O1)C=CC=C2 Z733303132 [1,0,0,1,0,0|2,0,0]=4 910 B11R2.10 CC1=CC2=C(O1)C=CC=C2 Z1255386706 [1,0,0,1,0,0|1,0,1]=4 911 B11R2.10 CC1CC2=C(O1)C=CC=C2 Z104378304 [1,0,0,1,0,0|1,0,1]=4 912 B11R2.10 ClC1=NC2=C(O1)C=CC=C2 Z235343929 [1,0,0,1,0,0|2,0,0]=4 913 B11R2.10 NC1=NC2=C(C1)C=CC=C2 Z2692198892 [1,0,0,1,0,0|2,0,0]=4 914 B11R2.10 NC1=NC2=C(O1)C=CC=C2 Z57069972 [1,0,0,1,0,0|2,0,0]=4 915 B11R2.10 O=C1CC2=C(C1)C=CC=C2 Z104486120 [1,0,0,1,0,0|1,0,0]=3 916 B11R2.10 O=C1CC2=C(N1)C=CC=C2 Z104478112 [1,0,0,1,0,0|1,0,0]=3 917 B11R2.10 O=C1CC2=C(N1)C=CC=N2 Z1198159859 [1,0,0,1,0,0|2,0,0]=4 918 B11R2.10 O=C1NC2=C(N1)C=CC=C2 Z56924489 [1,0,0,1,0,0|2,0,0]=4 919 B11R2.10 O=C1NC2=C(O1)C=CC=C2 Z56854468 [1,0,0,1,0,0|1,0,0]=3 920 B11R2.10 O=C1NC2=C(O1)C=CN=C2 Z1509173044 [1,0,0,1,0,0|2,0,0]=4 921 B11R2.10 O=C1NC2=C(S1)C=CC=C2 Z57728688 [1,0,0,1,0,0|1,1,0]=4 922 B11R2.10 SC1=NC2=C(O1)C=CC=C2 Z104499134 [1,0,0,1,0,0|1,1,0]=4 923 B11R2.238 C1=CC=C(C=C1)CC2CO2 Z1020680006 [1,0,0,1,0,0|1,0,1]=4 924 B11R2.238 C1=CC=C(C=C1)C[C@@H]2CO2 Z1617991494 [1,0,0,1,0,0|1,0,1]=4 925 B11R2.238 C1=CC=C(C=C1)C[C@H]2CO2 Z2216712384 [1,0,0,1,0,0|1,0,1]=4 926 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O Z1201619874 [0,0,0,1,0,1|2,0,0]=4 927 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O Z164680268 [0,0,0,1,0,1|2,0,0]=4 928 B13R2.369 CC1SC2=C(C=CC=C2)NC1=O Z1198161114 [0,0,0,1,0,1|2,0,0]=4 929 B13R2.369 CN1CC2=C(C=CC=C2)OC1=O Z1862014448 [0,0,0,1,0,1|2,0,0]=4 930 B13R2.369 NC1CC2=C(C=CC=C2)NC1=O Z2692093571 [0,0,0,1,0,1|2,0,0]=4 931 B13R2.369 O=C1NC2=C(C=CC=C2)OC1O Z984801448 [0,0,0,1,0,1|1,0,0]=3 932 B13R2.369 OC1OC2=C(C=CC=C2)OC1O Z56761861 [0,0,0,1,0,1|0,0,2]=4 933 B13R2.373 CC1C(=O)CC1C2=CC=CC=C2 Z1436543792 [0,0,0,1,0,1|2,0,0]=4 934 B13R2.373 CC1C(=O)NC1C2=CC=CC=C2 Z1267861070 [0,0,0,1,0,1|2,0,0]=4 935 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 Z1198162290 [0,0,0,1,0,1|1,0,0]=3 936 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2235584851 [0,0,0,1,0,1|1,0,0]=3 937 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=NC=C2 Z2379204261 [0,0,0,1,0,1|2,0,0]=4 938 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CN=CC=C2 Z2242045438 [0,0,0,1,0,1|2,0,0]=4 939 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=NC=CC=C2 Z3070727223 [0,0,0,1,0,1|2,0,0]=4 940 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 Z1235967724 [0,0,0,1,0,1|1,0,0]=3 941 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 Z1262510970 [0,0,0,1,0,1|1,0,0]=3 942 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 Z57931417 [0,0,0,1,0,1|0,0,1]=3 943 B13R2.435 CC(=O)C1=CC2=C(O1)C=CC=C2 Z57054215 [0,0,0,1,0,1|1,0,1]=4 944 B13R2.435 NC(=O)C1=NC2=C(O1)C=CC=C2 Z1198221051 [0,0,0,1,0,1|1,0,1]=4 945 B13R2.435 NC(=O)C1CC2=C(N1)C=CC=C2 Z1255399804 [0,0,0,1,0,1|2,0,0]=4 946 B13R2.435 NC(=O)C1CC2=C(O1)C=CC=C2 Z116821856 [0,0,0,1,0,1|1,0,0]=3 947 B13R2.435 NC(=O)[C@@H]1CC2=C(N1)C=CC=C2 Z760046840 [0,0,0,1,0,1|2,0,0]=4 948 B13R2.435 O=C(O)C1=CC2=C(C1)C=CC=C2 Z1255423596 [0,0,0,1,0,1|1,0,1]=4 949 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=C2 Z56347139 [0,0,0,1,0,1|1,0,1]=4 950 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=C2 Z56839706 [0,0,0,1,0,1|0,0,1]=3 951 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=N2 Z2670715454 [0,0,0,1,0,1|1,0,1]=4 952 B13R2.435 O=C(O)C1=CC2=C(O1)C=CN=C2 Z1255443420 [0,0,0,1,0,1|1,0,1]=4 953 B13R2.435 O=C(O)C1=CC2=C(S1)C=CC=C2 Z89265777 [0,0,0,1,0,1|0,1,1]=4 954 B13R2.435 O=C(O)C1=NC2=C(N1)C=CC=C2 Z274592454 [0,0,0,1,0,1|1,0,1]=4 955 B13R2.435 O=C(O)C1=NC2=C(S1)C=CC=C2 Z56899149 [0,0,0,1,0,1|0,1,1]=4 956 B13R2.435 O=C(O)C1CC2=C(C1)C=CC=C2 Z607808530 [0,0,0,1,0,1|1,0,0]=3 957 B13R2.435 O=C(O)C1CC2=C(C1)C=NC=C2 Z2213893333 [0,0,0,1,0,1|2,0,0]=4 958 B13R2.435 O=C(O)C1CC2=C(C1)N=CC=C2 Z1262528380 [0,0,0,1,0,1|2,0,0]=4 959 B13R2.435 O=C(O)C1CC2=C(N1)C=CC=C2 Z343211224 [0,0,0,1,0,1|1,0,0]=3 960 B13R2.435 O=C(O)C1CC2=C(O1)C=CC=C2 Z104377952 [0,0,0,1,0,1|0,0,0]=2 961 B13R2.435 O=C(O)C1CC2=C(S1)C=CC=C2 Z221583708 [0,0,0,1,0,1|0,1,0]=3 962 B13R2.435 O=C(O)[C@@H]1CC2=C(N1)C=CC=C2 Z335079490 [0,0,0,1,0,1|1,0,0]=3 963 B13R2.10 NC1=NC(CO1)C2=CC=CC=C2 Z1262629910 [0,0,0,1,0,1|2,0,0]=4 964 B13R2.10 O=C1C=C(CO1)C2=CC=CC=C2 Z1862024981 [0,0,0,1,0,1|1,0,1]=4 965 B13R2.10 O=C1CC(=NO1)C2=CC=CC=C2 Z1255364654 [0,0,0,1,0,1|1,0,1]=4 966 B13R2.10 O=C1CC(CN1)C2=CC=CC=C2 Z954601980 [0,0,0,1,0,1|2,0,0]=4 967 B13R2.10 O=C1CC(CO1)C2=CC=CC=C2 Z1551943626 [0,0,0,1,0,1|1,0,0]=3 968 B13R2.10 O=C1N=C(ON1)C2=CC=CC=C2 Z1898665972 [0,0,0,1,0,1|1,0,1]=4 969 B13R2.10 O=C1NC(=NO1)C2=CC=CC=C2 Z685594006 [0,0,0,1,0,1|1,0,1]=4 970 B13R2.10 O=C1NC(CO1)C2=CC=CC=C2 Z57199626 [0,0,0,1,0,1|1,0,0]=3 971 B13R2.10 O=C1NCC(N1)C2=CC=CC=C2 Z1255433877 [0,0,0,1,0,1|2,0,0]=4 972 B13R2.10 OC1=NOC(=C1)C2=CC=CC=C2 Z1255465500 [0,0,0,1,0,1|1,0,1]=4 973 B13R2.238 CC1(CC(=O)C1)C2=CC=CC=C2 Z1123697907 [0,0,0,1,0,1|2,0,0]=4 974 B13R2.328 CC1CC(=O)NC2=C1C=CC=C2 Z1198279631 [0,0,0,1,0,1|2,0,0]=4 975 B13R2.328 O=C1C=C(C2=C(N1)C=CC=C2)O Z56781882 [0,0,0,1,0,1|1,0,1]=4 976 B13R2.328 O=C1C=C(C2=C(O1)C=CC=C2)Cl Z1198153642 [0,0,0,1,0,1|1,0,1]=4 977 B13R2.328 O=C1C=C(C2=C(O1)C=CC=C2)O Z56922074 [0,0,0,1,0,1|0,0,1]=3 978 B13R2.328 O=C1NC(=O)C2=C(O1)C=CC=C2 Z1255365144 [0,0,0,1,0,1|0,0,2]=4 979 B13R2.690 OC(CC1CO1)C2=CC=CC=C2 Z1400655261 [0,0,0,1,0,1|1,0,1]=4 980 B13R2.5190 CN1C(=O)OC2=C1C=CC(=C2)Br Z952016252 [0,1,0,1,0,0|2,0,0]=4 981 B13R2.5190 CN1C(=O)OC2=C1C=CC(=C2)N Z802845692 [0,1,0,1,0,0|2,0,0]=4 982 B13R2.5190 NC1C(=O)NC2=C1C=CC(=C2)Br Z4198432889 [0,1,0,1,0,0|2,0,0]=4 983 B13R2.5190 NC1C(=O)NC2=C1C=CC(=C2)Cl Z3868711859 [0,1,0,1,0,0|2,0,0]=4 984 B13R2.5190 NC1C(=O)NC2=C1C=CC(=C2)F Z2768189190 [0,1,0,1,0,0|2,0,0]=4 985 B13R2.5190 O=C1NC2=C(C1O)C=CC(=C2)Br Z235448248 [0,1,0,1,0,0|1,0,0]=3 986 B13R2.5190 O=C1NC2=C(C1O)C=CC(=C2)F Z335245186 [0,1,0,1,0,0|1,0,0]=3 987 B13R2.15 O=C1CCCC1C2=CC=CC=C2 Z993018320 [0,1,0,1,0,0|2,0,0]=4 988 B13R2.15 O=C1NCCC1C2=CC=CC=C2 Z1198157720 [0,1,0,1,0,0|2,0,0]=4 989 B13R2.15 O=C1OCCC1C2=CC=CC=C2 Z1198158252 [0,1,0,1,0,0|1,0,0]=3 990 B13R2.15 O=C1OCCN1C2=CC=CC=C2 Z235352409 [0,1,0,1,0,0|2,0,0]=4 991 B13R2.32 CC1COC2=C(C1O)C=CC=C2 Z1255453699 [0,1,0,1,0,0|1,0,1]=4 992 B13R2.32 NC1C(=O)NCC2=C1C=CC=C2 Z3241255328 [0,1,0,1,0,0|2,0,0]=4 993 B13R2.32 NC1COC2=C(C1O)C=CC=C2 Z2146515656 [0,1,0,1,0,0|1,0,1]=4 994 B13R2.32 N[C@@H]1COC2=C([C@H]1O)C=CC=C2 Z4354027077 [0,1,0,1,0,0|1,0,1]=4 995 B13R2.45 CC1=C(OC2=C1C=CC=C2)C=O Z1198156949 [0,1,0,1,0,0|1,0,1]=4 996 B13R2.45 O=CC1=C(C2=C(O1)C=CC=C2)Br Z1269215699 [0,1,0,1,0,0|1,0,1]=4 997 B13R2.45 O=CC1=C(C2=C(O1)C=CC=C2)Cl Z335442446 [0,1,0,1,0,0|1,0,1]=4 998 B13R2.3085 CN1C(=O)C2=C(C1O)C=CC=C2 Z108567058 [0,1,0,1,0,0|2,0,0]=4 999 B13R2.72 CC(=O)C1=COC2=C1C=CC=C2 Z1066258200 [0,1,0,1,0,0|1,0,1]=4 1000 B13R2.72 NC(=O)C1CCC2=C1C=CC=C2 Z1127744301 [0,1,0,1,0,0|2,0,0]=4 1001 B13R2.72 NC(=O)C1CNC2=C1C=CC=C2 Z1117856057 [0,1,0,1,0,0|2,0,0]=4 1002 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 Z1201621664 [0,1,0,1,0,0|0,0,1]=3 1003 B13R2.72 O=C(O)C1=C2C=CC=CC2=NS1 Z1198233085 [0,1,0,1,0,0|0,1,1]=4 1004 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 Z89283908 [0,1,0,1,0,0|1,0,1]=4 1005 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 Z897816312 [0,1,0,1,0,0|0,0,1]=3 1006 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 Z199507040 [0,1,0,1,0,0|0,1,1]=4 1007 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 Z104497388 [0,1,0,1,0,0|1,0,1]=4 1008 B13R2.72 O=C(O)C1=NOC2=C1C=CC=N2 Z1813172822 [0,1,0,1,0,0|1,0,1]=4 1009 B13R2.72 O=C(O)C1=NSC2=C1C=CC=C2 Z1198157386 [0,1,0,1,0,0|0,1,1]=4 1010 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 Z792377300 [0,1,0,1,0,0|1,0,0]=3 1011 B13R2.72 O=C(O)C1COC2=C1C=CC=C2 Z897815480 [0,1,0,1,0,0|0,0,0]=2 1012 B13R2.72 O=C(O)C1CSC2=C1C=CC=C2 Z1222331919 [0,1,0,1,0,0|0,1,0]=3 1013 B13R2.4856 CC1=C2C(=CC=C1)NC(=O)C2O Z2240823115 [0,1,0,1,0,0|1,0,0]=3 1014 B13R2.3028 CC1C(=O)NC2=C1C=C(C=C2)N Z442035298 [0,1,0,1,0,0|2,0,0]=4 1015 B13R2.3028 CC1C(=O)NC2=C1C=C(C=C2)O Z1198169095 [0,1,0,1,0,0|2,0,0]=4 1016 B13R2.3028 CN1C(=O)OC2=C1C=C(C=C2)I Z1343941255 [0,1,0,1,0,0|2,0,0]=4 1017 B13R2.3028 CN1C(=O)OC2=C1C=C(C=C2)N Z424795770 [0,1,0,1,0,0|2,0,0]=4 1018 B13R2.3028 NC1C(=O)NC2=C1C=C(C=C2)Cl Z1270210921 [0,1,0,1,0,0|2,0,0]=4 1019 B13R2.3028 NC1C(=O)NC2=C1C=C(C=C2)F Z3243412944 [0,1,0,1,0,0|2,0,0]=4 1020 B13R2.3028 O=C1NC2=C(C1O)C=C(C=C2)Br Z235447292 [0,1,0,1,0,0|1,0,0]=3 1021 B13R2.3028 O=C1NC2=C(C1O)C=C(C=C2)F Z335244996 [0,1,0,1,0,0|1,0,0]=3 1022 B13R2.4825 CN1C(=O)OC2=C1C=CC=C2N Z1507502330 [0,1,0,1,0,0|2,0,0]=4 1023 B13R2.4825 NC1C(=O)NC2=C(C=CC=C12)Cl Z3244907673 [0,1,0,1,0,0|2,0,0]=4 1024 B13R2.4852 O=C(O)C1CC2=C(C=CC=C12)Cl Z1262515365 [0,1,0,1,0,0|1,0,0]=3 1025 B13R2.4930 CC1=CC2=C(C=C1)CC2C(=O)O Z2719072266 [0,1,0,1,0,0|1,0,0]=3 1026 B13R2.4930 O=C(O)C1CC2=C1C=C(C=C2)Cl Z1262559583 [0,1,0,1,0,0|1,0,0]=3 1027 B13R2.439 NC(=O)C1(CC1)C2=CC=CC=C2 Z68591096 [0,1,0,1,0,0|2,0,0]=4 1028 B13R2.439 O=C(O)C1(CC1)C2=CC=CC=C2 Z104485900 [0,1,0,1,0,0|1,0,0]=3 1029 B13R2.439 O=C(O)C1(CC1)C2=CC=NC=C2 Z3477424490 [0,1,0,1,0,0|2,0,0]=4 1030 B13R2.439 O=C(O)C1(CC1)C2=CN=CC=C2 Z1966486321 [0,1,0,1,0,0|2,0,0]=4 1031 B13R2.439 O=C(O)C1(CC1)C2=NC=CC=C2 Z2630878302 [0,1,0,1,0,0|2,0,0]=4 1032 B13R2.135 CC1=C(C2=C(O1)C=CC=C2)CO Z1198320599 [0,1,0,1,0,0|1,0,1]=4 1033 B13R2.135 CCC1C(=O)NC2=C1C=CC=C2 Z1201625783 [0,1,0,1,0,0|2,0,0]=4 1034 B13R2.135 N#CC1C(=O)CC2=C1C=CC=C2 Z1255395378 [0,1,0,1,0,0|2,0,0]=4 1035 B13R2.135 O=C\1NC2=C(/C1=N\O)C=CC=C2 Z49568307 [0,1,0,1,0,0|1,0,1]=4 1036 B9R1.13 NC(=O)CC1=CC=CN1 Z1203579730 [1,0,0,0,1,0|2,0,0]=4 1037 B9R1.13 O=C(O)CC1=CC=CO1 Z1179936226 [1,0,0,0,1,0|1,0,0]=3 1038 B9R1.13 O=C(O)CC1=CC=CS1 Z104473344 [1,0,0,0,1,0|1,0,0]=3 1039 B9R1.13 O=C(O)CC1=CC=NO1 Z1205495543 [1,0,0,0,1,0|2,0,0]=4 1040 B9R1.13 O=C(O)CC1=CN=CN1 Z2738358143 [1,0,0,0,1,0|2,0,0]=4 1041 B9R1.13 O=C(O)CC1=CN=CS1 Z1198176810 [1,0,0,0,1,0|2,0,0]=4 1042 B9R1.13 O=C(O)CC1=CNC=C1 Z1154253211 [1,0,0,0,1,0|1,0,0]=3 1043 B9R1.13 O=C(O)CC1=CNN=C1 Z2692248932 [1,0,0,0,1,0|2,0,0]=4 1044 B9R1.13 O=C(O)CC1=COC=C1 Z1179936188 [1,0,0,0,1,0|1,0,0]=3 1045 B9R1.13 O=C(O)CC1=CON=C1 Z600429584 [1,0,0,0,1,0|2,0,0]=4 1046 B9R1.13 O=C(O)CC1=CSC=C1 Z56922167 [1,0,0,0,1,0|1,0,0]=3 1047 B9R1.13 O=C(O)CC1=CSC=N1 Z800222640 [1,0,0,0,1,0|2,0,0]=4 1048 B9R1.13 O=C(O)CC1=NC=CN1 Z2189284070 [1,0,0,0,1,0|2,0,0]=4 1049 B9R1.13 O=C(O)CC1=NOC=C1 Z1198279888 [1,0,0,0,1,0|2,0,0]=4 1050 B9R1.13 O=C(O)CC1=NSC=C1 Z1198313566 [1,0,0,0,1,0|2,0,0]=4 1051 B9R1.13 O=C(O)CN1C=CC=C1 Z245326698 [1,0,0,0,1,0|1,0,0]=3 1052 B9R1.13 O=C(O)CN1C=CC=N1 Z166653130 [1,0,0,0,1,0|2,0,0]=4 1053 B9R1.13 O=C(O)CN1C=CN=C1 Z57396183 [1,0,0,0,1,0|2,0,0]=4 1054 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 Z2582847786 [1,0,0,0,0,1|1,0,1]=4 1055 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [1,0,0,0,0,1|1,0,0]=3 1056 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [1,0,0,0,0,1|1,0,0]=3 1057 B11R1.91 CC(=O)NCC1=NC=CC=C1 Z324553036 [1,0,0,0,0,1|2,0,0]=4 1058 B11R1.91 CC(=O)NNC1=CC=CC=C1 Z27767717 [1,0,0,0,0,1|2,0,0]=4 1059 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [1,0,0,0,0,1|1,0,0]=3 1060 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [1,0,0,0,0,1|1,0,1]=4 1061 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [1,0,0,0,0,1|2,0,0]=4 1062 B11R1.91 N=C(N)COC1=CC=CC=C1 Z1532540938 [1,0,0,0,0,1|2,0,0]=4 1063 B11R1.91 N=C(N)CSC1=CC=CC=C1 Z1532718998 [1,0,0,0,0,1|2,0,0]=4 1064 B11R1.91 N=C(N)SCC1=CC=CC=C1 Z89242849 [1,0,0,0,0,1|2,0,0]=4 1065 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [1,0,0,0,0,1|1,0,0]=3 1066 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [1,0,0,0,0,1|2,0,0]=4 1067 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [1,0,0,0,0,1|1,0,0]=3 1068 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [1,0,0,0,0,1|1,0,0]=3 1069 B11R1.91 NC(=O)COC1=CN=CC=C1 Z336080090 [1,0,0,0,0,1|2,0,0]=4 1070 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [1,0,0,0,0,1|1,0,0]=3 1071 B11R1.91 NC(=O)CSC1=CC=NC=C1 Z33546963 [1,0,0,0,0,1|2,0,0]=4 1072 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [1,0,0,0,0,1|1,0,0]=3 1073 B11R1.91 NC(=O)NCC1=CC=NC=C1 Z198194796 [1,0,0,0,0,1|2,0,0]=4 1074 B11R1.91 NC(=O)NCC1=CN=CC=C1 Z57664442 [1,0,0,0,0,1|2,0,0]=4 1075 B11R1.91 NC(=O)NCC1=NC=CC=C1 Z198194794 [1,0,0,0,0,1|2,0,0]=4 1076 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [1,0,0,0,0,1|1,0,0]=3 1077 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [1,0,0,0,0,1|1,1,0]=4 1078 B11R1.91 NC(=S)COC1=CC=CC=C1 Z108595128 [1,0,0,0,0,1|1,1,0]=4 1079 B11R1.91 NC(=S)NCC1=CC=CC=C1 Z56900892 [1,0,0,0,0,1|1,1,0]=4 1080 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [1,0,0,0,0,1|0,0,1]=3 1081 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 Z2315575398 [1,0,0,0,0,1|1,0,1]=4 1082 B11R1.91 O=C(O)/C=C/C1=CN=CC=C1 Z2315575379 [1,0,0,0,0,1|1,0,1]=4 1083 B11R1.91 O=C(O)/C=C/C1=NC=CC=C1 Z57069085 [1,0,0,0,0,1|1,0,1]=4 1084 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [1,0,0,0,0,1|0,0,1]=3 1085 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [1,0,0,0,0,1|0,0,0]=2 1086 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [1,0,0,0,0,1|1,0,0]=3 1087 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [1,0,0,0,0,1|1,0,0]=3 1088 B11R1.91 O=C(O)CCC1=CN=CN=C1 Z1198279878 [1,0,0,0,0,1|2,0,0]=4 1089 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [1,0,0,0,0,1|1,0,0]=3 1090 B11R1.91 O=C(O)CCC1=NC=CC=N1 Z1255372831 [1,0,0,0,0,1|2,0,0]=4 1091 B11R1.91 O=C(O)CCC1=NC=CN=C1 Z1198184629 [1,0,0,0,0,1|2,0,0]=4 1092 B11R1.91 O=C(O)CCC1=NC=NC=C1 Z1184882132 [1,0,0,0,0,1|2,0,0]=4 1093 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [1,0,0,0,0,1|0,0,0]=2 1094 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [1,0,0,0,0,1|1,0,0]=3 1095 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [1,0,0,0,0,1|1,0,0]=3 1096 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [1,0,0,0,0,1|1,0,0]=3 1097 B11R1.91 O=C(O)CNC1=NC=CC=N1 Z228588498 [1,0,0,0,0,1|2,0,0]=4 1098 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [1,0,0,0,0,1|0,0,0]=2 1099 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [1,0,0,0,0,1|1,0,0]=3 1100 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [1,0,0,0,0,1|0,0,0]=2 1101 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [1,0,0,0,0,1|1,0,0]=3 1102 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [1,0,0,0,0,1|1,0,0]=3 1103 B11R1.91 O=C(O)CSC1=NC=CC=N1 Z31205664 [1,0,0,0,0,1|2,0,0]=4 1104 B11R1.91 O=C([O-])COC1=NC=CC=C1 Z2989350877 [1,0,0,0,0,1|1,0,1]=4 1105 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [1,0,0,0,0,1|1,0,1]=4 1106 B11R1.91 O=[N+]([O-])CSC1=CC=CC=C1 Z1255375331 [1,0,0,0,0,1|1,0,1]=4 1107 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [1,0,0,0,0,1|1,0,1]=4 1108 B11R1.77 CC(CC(=O)O)N1C=CC=C1 Z398989776 [0,0,0,0,1,1|2,0,0]=4 1109 B11R1.77 NC(CC(=O)O)C1=CC=CS1 Z221523588 [0,0,0,0,1,1|2,0,0]=4 1110 B11R1.77 NC(CC(=O)O)C1=CSC=C1 Z285185092 [0,0,0,0,1,1|2,0,0]=4 1111 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 Z1259040954 [0,0,0,0,0,2|2,0,0]=4 1112 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [0,0,0,0,0,2|1,0,0]=3 1113 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [0,0,0,0,0,2|0,0,0]=2 1114 B13R1.351 C=C(COC1=CC=CC=C1)C(=O)O Z1197868054 [0,0,0,0,0,2|1,0,1]=4 1115 B13R1.351 CC(/C=C/C1=CC=CC=C1)C(=O)O Z3241898772 [0,0,0,0,0,2|1,0,0]=3 1116 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 Z906195336 [0,0,0,0,0,2|2,0,0]=4 1117 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O Z425469932 [0,0,0,0,0,2|1,0,0]=3 1118 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O Z431541708 [0,0,0,0,0,2|1,0,0]=3 1119 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O Z426041612 [0,0,0,0,0,2|1,0,0]=3 1120 B13R1.351 CC(NCC1=CN=CC=C1)C(=O)O Z440613690 [0,0,0,0,0,2|2,0,0]=4 1121 B13R1.351 CC(NCC1=NC=CC=C1)C(=O)O Z1270255478 [0,0,0,0,0,2|2,0,0]=4 1122 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)N Z394696218 [0,0,0,0,0,2|2,0,0]=4 1123 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O Z316258798 [0,0,0,0,0,2|1,0,0]=3 1124 B13R1.351 CC(OCC1=CC=NC=C1)C(=O)O Z2235681270 [0,0,0,0,0,2|2,0,0]=4 1125 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Z18753939 [0,0,0,0,0,2|1,0,0]=3 1126 B13R1.351 C[C@H](NCC1=NC=CC=C1)C(=O)O Z5717815294 [0,0,0,0,0,2|2,0,0]=4 1127 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O Z1255498772 [0,0,0,0,0,2|1,0,0]=3 1128 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O Z317025074 [0,0,0,0,0,2|1,0,0]=3 1129 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O Z3004510439 [0,0,0,0,0,2|2,0,0]=4 1130 B13R1.351 NC(CCC1=NC=CC=C1)C(=O)O Z2310672466 [0,0,0,0,0,2|2,0,0]=4 1131 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O Z1255434715 [0,0,0,0,0,2|1,0,0]=3 1132 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O Z1255399095 [0,0,0,0,0,2|1,0,0]=3 1133 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 Z1201620725 [0,0,0,0,0,2|0,0,2]=4 1134 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 Z1259340035 [0,0,0,0,0,2|0,0,0]=2 1135 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 Z255306774 [0,0,0,0,0,2|1,0,0]=3 1136 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 Z1198150373 [0,0,0,0,0,2|1,0,0]=3 1137 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 Z1259273310 [0,0,0,0,0,2|2,0,0]=4 1138 B13R1.45 C[C@@H](NCC(=O)N)C1=CC=CC=C1 Z1165167250 [0,0,0,0,0,2|2,0,0]=4 1139 B13R1.45 NC(=O)NCC(O)C1=CC=CC=C1 Z198194916 [0,0,0,0,0,2|1,0,0]=3 1140 B13R1.45 NC(=O)OCC(O)C1=CC=CC=C1 Z1198155491 [0,0,0,0,0,2|1,0,0]=3 1141 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 Z2213893322 [0,0,0,0,0,2|1,0,0]=3 1142 B13R1.45 O=C(O)/C=C/C(=O)C1=CC=CC=C1 Z2895088074 [0,0,0,0,0,2|0,0,2]=4 1143 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 Z57127328 [0,0,0,0,0,2|0,0,2]=4 1144 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 Z56771024 [0,0,0,0,0,2|0,0,2]=4