0 B8R1.7 B(c1ccc[se]1)(O)O AB08878 [0,0,0,0,0,0|2,1,1]=4 1 B8R1.7 B(c1ccco1)(O)O AB07247 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.7 B(c1cccs1)(O)O AB04002 [0,0,0,0,0,0|2,1,1]=4 3 B8R1.7 C1=NC=NC1C(=O)N CB10787 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.7 C1=NC=NC1C(=O)O AB03082 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.7 C1C=C(C=N1)C(=O)O MB01464 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.7 C1C=C(N=N1)C(=O)N CB11465 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.7 C1C=C(N=N1)C(=O)O AB06191 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.7 C1C=C(N=N1)C(=O)O PB17100 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.7 C1C=CCC1C(=O)O PB14124 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.7 C1C=NC(=N1)C(=O)N AB50089 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.7 C1COC=C1C(=O)O PB26262 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.7 CC(=O)c1ccsc1 PB17033 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.7 CC(=O)c1cocn1 AB73503 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.7 CC(=O)c1ncco1 AB42105 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.7 CC(c1ccno1)N AB27932 [0,0,0,0,0,0|2,0,1]=3 17 B8R1.7 CC(c1ccoc1)N AB27902 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.7 CC(c1ccoc1)N AB66830 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.7 CC(c1cscn1)N AB27900 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.7 CC(c1nccs1)N AB12719 [0,0,0,0,0,0|2,1,1]=4 21 B8R1.7 C[C@@H](c1nccs1)N AB66719 [0,0,0,0,0,0|2,1,1]=4 22 B8R1.7 C[C@H](c1nccs1)N AB68275 [0,0,0,0,0,0|2,1,1]=4 23 B8R1.7 c1[nH]c(nn1)C(=O)O AB04453 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.7 c1[nH]nc(n1)C(=O)O AB02998 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.7 c1c(con1)C(=O)O AB27926 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.7 c1c(csn1)C(=O)O AB48586 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.7 c1c(nco1)C(=O)O PB14470 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.7 c1c(nco1)C(=O)[O-] AB28203 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.7 c1c(nco1)C(=S)N AB28178 [0,0,0,0,0,0|3,1,0]=4 30 B8R1.7 c1c(ncs1)C(=O)N AB06564 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.7 c1c(ncs1)C(=O)O AB06561 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.7 c1c(ncs1)C(=S)N AB19864 [0,0,0,0,0,0|3,1,0]=4 33 B8R1.7 c1c(non1)C(=O)O AB06534 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.7 c1c(nsn1)C(=O)O AB09086 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.7 c1c(ocn1)C(=O)N AB19298 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.7 c1c(ocn1)C(=O)O AB19293 [0,0,0,0,0,0|2,0,0]=2 37 B8R1.7 c1c(ocn1)C(=S)N AB19301 [0,0,0,0,0,0|2,1,0]=3 38 B8R1.7 c1c(scn1)C(=O)O AB15430 [0,0,0,0,0,0|2,1,0]=3 39 B8R1.7 c1c(scn1)C(=S)N AB28331 [0,0,0,0,0,0|2,2,0]=4 40 B8R1.7 c1cc(oc1)C(=N)N AB07706 [0,0,0,0,0,0|2,0,0]=2 41 B8R1.7 c1cnsc1C(=O)O AB32452 [0,0,0,0,0,0|2,1,0]=3 42 B8R1.7 c1coc(n1)C(=O)N AB19289 [0,0,0,0,0,0|2,0,0]=2 43 B8R1.7 c1coc(n1)C(=O)O AB19305 [0,0,0,0,0,0|2,0,0]=2 44 B8R1.7 c1coc(n1)C(=S)N AB19285 [0,0,0,0,0,0|2,1,0]=3 45 B8R1.7 c1coc(n1)C(Cl)Cl AB21330 [0,0,0,0,0,0|3,0,1]=4 46 B8R1.7 c1cocc1C(=O)O PB30525 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.7 c1conc1C(=O)O PB26232 [0,0,0,0,0,0|3,0,0]=3 48 B8R1.7 c1conc1C(=S)N AB21754 [0,0,0,0,0,0|3,1,0]=4 49 B8R1.7 c1csc(n1)C(=N)N PB24428 [0,0,0,0,0,0|3,1,0]=4 50 B8R1.7 c1csc(n1)C(=O)O AB10888 [0,0,0,0,0,0|2,1,0]=3 51 B8R1.7 c1csc(n1)C(=S)N AB28335 [0,0,0,0,0,0|2,2,0]=4 52 B8R1.7 c1cscc1C(=O)O PB18386 [0,0,0,0,0,0|3,0,0]=3 53 B8R1.7 c1csnc1C(=O)O PB34433 [0,0,0,0,0,0|3,0,0]=3 54 B8R1.7 c1nnc(o1)C(=O)O AB57583 [0,0,0,0,0,0|3,0,0]=3 55 B7R1.1 C1=NC=NC1C=O PB14141 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.1 C1C=C(C=N1)C=O AB15013 [1,0,0,0,0,0|2,0,1]=4 57 B7R1.1 C1C=C(N=N1)C=O AB25611 [1,0,0,0,0,0|2,0,1]=4 58 B7R1.1 C1C=CCC1C=O AB76805 [1,0,0,0,0,0|1,0,2]=4 59 B7R1.1 C1C=CN=C1C=O AB00388 [1,0,0,0,0,0|1,0,1]=3 60 B7R1.1 CCC1=CN=CC1 AB31265 [1,0,0,0,0,0|2,0,1]=4 61 B7R1.1 COc1nccs1 AB09330 [1,0,0,0,0,0|2,1,0]=4 62 B7R1.1 c1[nH]c(nn1)C=O AB48516 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 c1[nH]nc(n1)C=O AB63486 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.1 c1c(con1)C=O AB11289 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.1 c1c(csn1)C=O AB62620 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.1 c1c(nco1)C=O PB23292 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.1 c1c(ncs1)C=O AB06592 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.1 c1c(ocn1)C#N AB19309 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.1 c1c(ocn1)C=O AB11283 [1,0,0,0,0,0|1,0,0]=2 70 B7R1.1 c1c(ocn1)CCl AB42450 [1,0,0,0,0,0|2,0,1]=4 71 B7R1.1 c1c(ocn1)CN AB30442 [1,0,0,0,0,0|2,0,1]=4 72 B7R1.1 c1c(ocn1)CO PB32681 [1,0,0,0,0,0|1,0,2]=4 73 B7R1.1 c1c(scn1)C=O AB11293 [1,0,0,0,0,0|1,1,0]=3 74 B7R1.1 c1cc(oc1)C#N AB00309 [1,0,0,0,0,0|1,0,1]=3 75 B7R1.1 c1cc(oc1)CCl MB06568 [1,0,0,0,0,0|1,0,1]=3 76 B7R1.1 c1cc(sc1)CN PB17027 [1,0,0,0,0,0|1,1,1]=4 77 B7R1.1 c1cc(sc1)CO PB10001 [1,0,0,0,0,0|0,1,2]=4 78 B7R1.1 c1cn(nn1)C=O MB06576 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.1 c1cnoc1CN AB27950 [1,0,0,0,0,0|2,0,1]=4 80 B7R1.1 c1cnoc1CN AB27954 [1,0,0,0,0,0|2,0,1]=4 81 B7R1.1 c1cnoc1CO AB28102 [1,0,0,0,0,0|1,0,2]=4 82 B7R1.1 c1cnsc1C=O AB32448 [1,0,0,0,0,0|1,1,0]=3 83 B7R1.1 c1coc(n1)C=O AB14413 [1,0,0,0,0,0|1,0,0]=2 84 B7R1.1 c1coc(n1)CCl AB19278 [1,0,0,0,0,0|2,0,1]=4 85 B7R1.1 c1coc(n1)CN AB19275 [1,0,0,0,0,0|2,0,1]=4 86 B7R1.1 c1coc(n1)CN AB28202 [1,0,0,0,0,0|2,0,1]=4 87 B7R1.1 c1coc(n1)CO PB27948 [1,0,0,0,0,0|1,0,2]=4 88 B7R1.1 c1conc1C=O PB26237 [1,0,0,0,0,0|2,0,0]=3 89 B7R1.1 c1csc(n1)C=O PB12109 [1,0,0,0,0,0|1,1,0]=3 90 B7R1.1 c1cscc1C=O PB14065 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.11 CNC(=O)C1=CN=NC1 MB11645 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.11 COC(=O)C1=CN=CC1 AB07842 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.11 COC(=O)C1=CN=NC1 AB44633 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.11 COC(=O)C1=CN=NC1 PB24659 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.11 COC(=O)C1=NC=NC1 PB18686 [0,1,0,0,0,0|2,0,1]=4 96 B9R1.11 COC(=O)C1=NN=CC1 PB10159 [0,1,0,0,0,0|2,0,1]=4 97 B9R1.11 COC(=O)c1[nH]ccn1 PB18713 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.11 COC(=O)c1ccsc1 PB18711 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.11 COC(=O)c1cncs1 AB16044 [0,1,0,0,0,0|1,1,0]=3 100 B9R1.11 COC(=O)c1cnoc1 AB39248 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.11 COC(=O)c1cscn1 AB25133 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.11 COC(=O)c1ncco1 AB42108 [0,1,0,0,0,0|1,0,0]=2 103 B9R1.11 C\C(=N/O)\c1ccsc1 AB55504 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.11 c1c(nco1)C(=O)NN AB28148 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.11 c1c(ncs1)C(=O)NN AB06544 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.11 c1c(ocn1)C(=O)NN AB19294 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.11 c1c(scn1)C(=O)NN AB28338 [0,1,0,0,0,0|2,1,0]=4 108 B9R1.11 c1cc(oc1)C(=O)C=O AB04785 [0,1,0,0,0,0|0,0,1]=2 109 B9R1.11 c1cc(oc1)C(=O)C=O AB49990 [0,1,0,0,0,0|0,0,1]=2 110 B9R1.11 c1cc(sc1)C(=O)C=O AB48645 [0,1,0,0,0,0|0,1,1]=3 111 B9R1.11 c1cc(sc1)C(=O)O[Cu] AB11500 [0,1,0,0,0,0|1,1,0]=3 112 B9R1.11 c1cc(sc1)C(CO)N PB33213 [0,1,0,0,0,0|1,1,1]=4 113 B9R1.11 c1coc(n1)C(=O)NN AB19281 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.11 c1cocc1C(=O)NN MB02283 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.11 c1conc1C(=O)NN AB28024 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.11 c1csc(n1)C(=O)NN AB09732 [0,1,0,0,0,0|2,1,0]=4 117 B9R1.11 c1cscc1C(=O)NN MB01758 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.19 CS(=O)(=O)c1cccs1 PB14102 [0,1,0,0,0,0|1,1,0]=3 119 B9R1.19 c1coc(n1)S(=O)(=O)Cl AB72398 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.35 B(c1cc(co1)C)(O)O AB08042 [0,1,0,0,0,0|2,0,1]=4 121 B9R1.35 B(c1cc(co1)Cl)(O)O AB73959 [0,1,0,0,0,0|2,0,1]=4 122 B9R1.35 B(c1cc(co1)F)(O)O AB73962 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.35 B(c1ccc(o1)C)(O)O AB08313 [0,1,0,0,0,0|2,0,1]=4 124 B9R1.35 C1=C(N=CC1N)C(=O)O AB43641 [0,1,0,0,0,0|2,0,1]=4 125 B9R1.35 C1=NC(=O)N=C1C(=O)O AB09197 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.35 C1C=C(N=C1Br)C(=O)N PB34419 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.35 C1C=C(N=C1Br)C(=O)O MB19809 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.35 C1CC(=O)C=C1C(=O)O CB11482 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.35 CC(=O)C1=NC(=NC1)N AB58081 [0,1,0,0,0,0|2,0,1]=4 130 B9R1.35 CC(=O)C1=NC(=NC1)O AB58085 [0,1,0,0,0,0|2,0,1]=4 131 B9R1.35 CC(=O)C1=NC=C(C1)Cl AB52884 [0,1,0,0,0,0|1,0,1]=3 132 B9R1.35 CC(=O)c1cc(cs1)Cl PB13009 [0,1,0,0,0,0|0,1,0]=2 133 B9R1.35 CC(=O)c1cc(sc1)Br AB71462 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.35 CC(=O)c1cc(sc1)Cl PB18443 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.35 CC(=O)c1ccc(o1)Br AB25597 [0,1,0,0,0,0|0,0,0]=1 136 B9R1.35 CC(=O)c1ccc(s1)Br PB24550 [0,1,0,0,0,0|0,1,0]=2 137 B9R1.35 CC(=O)c1ccc(s1)Cl PB11578 [0,1,0,0,0,0|0,1,0]=2 138 B9R1.35 CC(=O)c1cnc(o1)N AB54806 [0,1,0,0,0,0|1,0,0]=2 139 B9R1.35 CC(=O)c1cnc(s1)Br AB69536 [0,1,0,0,0,0|1,1,0]=3 140 B9R1.35 CC(=O)c1cnc(s1)N AB07075 [0,1,0,0,0,0|1,1,0]=3 141 B9R1.35 CC(=O)c1coc(n1)Cl AB77007 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.35 CC(=O)c1nc(cs1)Br AB59795 [0,1,0,0,0,0|1,1,0]=3 143 B9R1.35 CC(=O)c1ncc(s1)Br PB19039 [0,1,0,0,0,0|1,1,0]=3 144 B9R1.35 CC(=O)c1ncc(s1)Cl PB35653 [0,1,0,0,0,0|1,1,0]=3 145 B9R1.35 CC(C)c1cnc(o1)Cl AB68315 [0,1,0,0,0,0|2,0,1]=4 146 B9R1.35 CC(C)c1cnc(o1)N AB64703 [0,1,0,0,0,0|2,0,1]=4 147 B9R1.35 Cc1[nH]c(cn1)C(=O)C AB51549 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.35 Cc1[nH]c(cn1)C(=O)O AB05025 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.35 Cc1cc(cs1)C(=O)O PB14265 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.35 Cc1cc(no1)C(=O)O CB10494 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.35 Cc1cc(sc1)C(=O)O PB14117 [0,1,0,0,0,0|1,1,0]=3 152 B9R1.35 Cc1ccc(s1)C(=O)C AB01148 [0,1,0,0,0,0|0,1,0]=2 153 B9R1.35 Cc1ccc(s1)C(=O)O AB00425 [0,1,0,0,0,0|1,1,0]=3 154 B9R1.35 Cc1cnc(o1)C(=O)O AB53258 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.35 Cc1cnc(s1)C(=O)O AB43204 [0,1,0,0,0,0|2,1,0]=4 156 B9R1.35 Cc1coc(n1)C(=O)O PB31618 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.35 Cc1csc(n1)C(=O)C AB32246 [0,1,0,0,0,0|1,1,0]=3 158 B9R1.35 Cc1csc(n1)C(=O)O PB26270 [0,1,0,0,0,0|2,1,0]=4 159 B9R1.35 Cc1nc(co1)C(=O)O AB05124 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.35 Cc1nc(cs1)C(=O)O AB14027 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.35 Cc1nc(on1)C(=O)O AB55970 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.35 Cc1ncc(s1)C(=O)O PB12949 [0,1,0,0,0,0|2,1,0]=4 163 B9R1.35 Cc1nnc(o1)C(=O)[O-] PB14509 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.35 Cn1cc(nc1)C(=O)O PB21172 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.35 Cn1ccc(n1)C(=O)O PB29090 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.35 c1c(coc1Br)C(=O)O AB45895 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.35 c1c(coc1C(=O)N)Br AB65725 [0,1,0,0,0,0|1,0,0]=2 168 B9R1.35 c1c(coc1C(=O)O)Br AB03318 [0,1,0,0,0,0|1,0,0]=2 169 B9R1.35 c1c(csc1Br)C(=O)O PB20302 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.35 c1c(csc1C(=O)N)Br AB53759 [0,1,0,0,0,0|1,1,0]=3 171 B9R1.35 c1c(csc1C(=O)O)Br PB29256 [0,1,0,0,0,0|1,1,0]=3 172 B9R1.35 c1c(csc1C(=O)O)Cl PB25964 [0,1,0,0,0,0|1,1,0]=3 173 B9R1.35 c1c(csc1Cl)C(=O)N AB09992 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.35 c1c(csc1Cl)C(=O)O PB17106 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.35 c1c(csc1F)C(=O)O PB18609 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.35 c1c(nc(o1)Br)C(=O)O PB14959 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.35 c1c(nc(o1)C(=O)O)Br AB59761 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.35 c1c(nc(o1)Cl)C(=O)O PB20528 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.35 c1c(nc(o1)N)C(=O)O PB31410 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.35 c1c(nc(s1)Br)C(=O)N MB10372 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.35 c1c(nc(s1)Br)C(=O)O AB20482 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.35 c1c(nc(s1)C(=O)N)Br AB65719 [0,1,0,0,0,0|2,1,0]=4 183 B9R1.35 c1c(nc(s1)C(=O)O)Br PB32743 [0,1,0,0,0,0|2,1,0]=4 184 B9R1.35 c1c(nc(s1)Cl)C(=O)O CB11341 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.35 c1c(nc(s1)N)C(=O)O AB07466 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.35 c1c(onc1Br)C(=O)O AB32047 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.35 c1c(sc(n1)Br)C(=O)N MB08396 [0,1,0,0,0,0|2,1,0]=4 188 B9R1.35 c1c(sc(n1)Br)C(=O)O PB12322 [0,1,0,0,0,0|2,1,0]=4 189 B9R1.35 c1c(sc(n1)C(=O)N)Br MB14267 [0,1,0,0,0,0|2,1,0]=4 190 B9R1.35 c1c(sc(n1)C(=O)O)Br PB31583 [0,1,0,0,0,0|2,1,0]=4 191 B9R1.35 c1c(sc(n1)C(=O)O)Cl PB26550 [0,1,0,0,0,0|2,1,0]=4 192 B9R1.35 c1c(sc(n1)C(=O)O)N PB33442 [0,1,0,0,0,0|2,1,0]=4 193 B9R1.35 c1c(sc(n1)C(=O)O)N PB37974 [0,1,0,0,0,0|2,1,0]=4 194 B9R1.35 c1c(sc(n1)N)C(=O)O AB23200 [0,1,0,0,0,0|2,1,0]=4 195 B9R1.35 c1cc(sc1C(=O)Cl)Cl AB01959 [0,1,0,0,0,0|1,1,0]=3 196 B9R1.35 c1cc(sc1C(=O)O)Br PB21666 [0,1,0,0,0,0|1,1,0]=3 197 B9R1.35 c1cc(sc1C(=O)O)Cl PB12047 [0,1,0,0,0,0|1,1,0]=3 198 B9R1.35 c1cc(sc1C(=O)O)F PB22097 [0,1,0,0,0,0|1,1,0]=3 199 B9R1.35 c1cc(sc1C(=O)O)N MB07244 [0,1,0,0,0,0|1,1,0]=3 200 B9R1.41 B(c1c(cco1)F)(O)O AB73970 [0,1,0,0,0,0|2,0,1]=4 201 B9R1.41 C1C=C(C(=N1)C(=O)O)N AB14781 [0,1,0,0,0,0|2,0,1]=4 202 B9R1.41 CC(=O)C1=NC=CC1N AB66021 [0,1,0,0,0,0|1,0,1]=3 203 B9R1.41 CC(=O)c1c(ccs1)Br AB07140 [0,1,0,0,0,0|0,1,0]=2 204 B9R1.41 CC(=O)c1c(ccs1)N AB02201 [0,1,0,0,0,0|0,1,0]=2 205 B9R1.41 CC(=O)c1ccsc1Cl AB72529 [0,1,0,0,0,0|2,0,0]=3 206 B9R1.41 CC(=O)c1ccsc1N AB71423 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.41 CC(=O)c1nccn1C PB12530 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.41 CC1=C(C=NC1)C(=O)C AB03448 [0,1,0,0,0,0|2,0,1]=4 209 B9R1.41 Cc1c(ccs1)C(=O)O AB10003 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.41 Cc1c(ncs1)C(=O)O AB27941 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.41 Cc1c(ocn1)C(=O)O MB01897 [0,1,0,0,0,0|2,0,0]=3 212 B9R1.41 Cc1c(scn1)C(=O)Cl CB11506 [0,1,0,0,0,0|2,1,0]=4 213 B9R1.41 Cc1ccoc1C(=O)O AB01137 [0,1,0,0,0,0|1,0,0]=2 214 B9R1.41 Cc1ccsc1C(=O)O AB00421 [0,1,0,0,0,0|1,1,0]=3 215 B9R1.41 Cn1c(ccn1)C(=O)O PB26026 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.41 Cn1cccc1C(=O)O CB10008 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.41 Cn1ccnc1C(=O)O PB21787 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.41 Cn1cncc1C(=O)O PB24704 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.41 c1[nH]c(c(n1)C(=O)O)N AB54857 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.41 c1c(c(cs1)Br)C(=O)O PB14213 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.41 c1cc(n(c1)N)C(=O)N PB26616 [0,1,0,0,0,0|2,0,0]=3 222 B9R1.41 c1coc(c1Br)C(=O)O AB03324 [0,1,0,0,0,0|1,0,0]=2 223 B9R1.41 c1coc(c1I)C(=O)O AB85068 [0,1,0,0,0,0|1,0,0]=2 224 B9R1.41 c1csc(c1Br)C(=O)O PB25929 [0,1,0,0,0,0|1,1,0]=3 225 B9R1.41 c1csc(c1Cl)C(=O)O PB10064 [0,1,0,0,0,0|1,1,0]=3 226 B9R1.41 c1csc(c1N)C(=O)N AB02202 [0,1,0,0,0,0|1,1,0]=3 227 B9R1.41 c1csc(c1N)C(=O)O AB14784 [0,1,0,0,0,0|1,1,0]=3 228 B9R1.6 C=C(c1ccccn1)Br AB31950 [0,0,0,0,0,1|2,0,1]=4 229 B9R1.6 CC(=O)c1ccccn1 AB00686 [0,0,0,0,0,1|1,0,0]=2 230 B9R1.6 CC(=O)c1cccnc1 AB00750 [0,0,0,0,0,1|1,0,0]=2 231 B9R1.6 CC(=O)c1cccnn1 PB16551 [0,0,0,0,0,1|1,0,0]=2 232 B9R1.6 CC(=O)c1ccncc1 AB00760 [0,0,0,0,0,1|1,0,0]=2 233 B9R1.6 CC(=O)c1ccncn1 PB17606 [0,0,0,0,0,1|1,0,0]=2 234 B9R1.6 CC(=O)c1ccnnc1 PB26895 [0,0,0,0,0,1|2,0,0]=3 235 B9R1.6 CC(=O)c1cnccn1 AB00602 [0,0,0,0,0,1|1,0,0]=2 236 B9R1.6 CC(=O)c1cncnc1 PB20327 [0,0,0,0,0,1|2,0,0]=3 237 B9R1.6 CC(=O)c1ncccn1 PB34295 [0,0,0,0,0,1|1,0,0]=2 238 B9R1.6 CC(C)c1ccccn1 PB21659 [0,0,0,0,0,1|2,0,1]=4 239 B9R1.6 CC(c1ccccc1)Cl AB01249 [0,0,0,0,0,1|2,0,1]=4 240 B9R1.6 CC(c1ccccn1)N AB21604 [0,0,0,0,0,1|2,0,1]=4 241 B9R1.6 CC(c1cccnc1)N AB09764 [0,0,0,0,0,1|2,0,1]=4 242 B9R1.6 CC(c1ccncc1)N AB11609 [0,0,0,0,0,1|2,0,1]=4 243 B9R1.6 CC(c1ccncn1)N PB34498 [0,0,0,0,0,1|2,0,1]=4 244 B9R1.6 CC(c1cnccn1)N PB14922 [0,0,0,0,0,1|2,0,1]=4 245 B9R1.6 CC(c1ncccn1)N AB59468 [0,0,0,0,0,1|2,0,1]=4 246 B9R1.6 CN(C)c1ncccn1 AB64628 [0,0,0,0,0,1|3,0,0]=4 247 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [0,0,0,0,0,1|2,0,1]=4 248 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [0,0,0,0,0,1|2,0,1]=4 249 B9R1.6 C[C@H](c1cccnc1)N AB49734 [0,0,0,0,0,1|2,0,1]=4 250 B9R1.6 C[C@H](c1ccncc1)N AB49745 [0,0,0,0,0,1|2,0,1]=4 251 B9R1.6 c1c(cncn1)C(=O)O PB23195 [0,0,0,0,0,1|3,0,0]=4 252 B9R1.6 c1c(ncnn1)C(=O)O AB72448 [0,0,0,0,0,1|3,0,0]=4 253 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [0,0,0,0,0,1|2,0,0]=3 254 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [0,0,0,0,0,1|3,0,0]=4 255 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [0,0,0,0,0,1|3,0,0]=4 256 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [0,0,0,0,0,1|2,0,0]=3 257 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [0,0,0,0,0,1|2,1,0]=4 258 B9R1.6 c1cnc(cn1)C(=N)N AB02172 [0,0,0,0,0,1|3,0,0]=4 259 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [0,0,0,0,0,1|2,0,0]=3 260 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [0,0,0,0,0,1|2,0,0]=3 261 B9R1.6 c1cnccc1C(=N)N MB02852 [0,0,0,0,0,1|3,0,0]=4 262 B9R1.6 c1cnccc1C(=O)O AB00757 [0,0,0,0,0,1|2,0,0]=3 263 B9R1.6 c1cnccc1C(=S)N AB00764 [0,0,0,0,0,1|2,1,0]=4 264 B9R1.6 c1cncnc1C(=O)O PB29023 [0,0,0,0,0,1|2,0,0]=3 265 B9R1.6 c1cnnc(n1)C(=O)O AB48886 [0,0,0,0,0,1|3,0,0]=4 266 B9R1.6 c1cnncc1C(=O)O PB17054 [0,0,0,0,0,1|3,0,0]=4 267 B9R1.6 c1ncnc(n1)C(=O)O AB60791 [0,0,0,0,0,1|3,0,0]=4 268 B9R1.13 B(Cc1ccco1)(O)O AB10323 [0,0,0,0,0,1|2,0,1]=4 269 B9R1.13 CC(=O)Nc1ccsc1 AB04169 [0,0,0,0,0,1|2,0,0]=3 270 B9R1.13 c1cc(sc1)CC(=O)O PB27359 [0,0,0,0,0,1|1,1,0]=3 271 B9R1.13 c1csc(n1)CC(=O)O PB23269 [0,0,0,0,0,1|2,1,0]=4 272 B9R1.13 c1cscc1CC(=O)O PB28939 [0,0,0,0,0,1|3,0,0]=4 273 B6R0.4 CC(=O)\C=C\OC AB00959 [1,0,1,0,0,0|1,0,1]=4 274 B6R1.2 C1=NC(=O)N=C1 AB01798 [2,0,0,0,0,0|2,0,0]=4 275 B6R1.2 CC1=CCCO1 AB00300 [2,0,0,0,0,0|0,0,2]=4 276 B6R1.2 CC1=CN=CC1 PB12076 [2,0,0,0,0,0|2,0,0]=4 277 B6R1.2 CC1=NC=CC1 AB12705 [2,0,0,0,0,0|1,0,1]=4 278 B6R1.2 Cc1ccon1 AB01288 [2,0,0,0,0,0|2,0,0]=4 279 B6R1.2 Cc1cocn1 AB63545 [2,0,0,0,0,0|2,0,0]=4 280 B6R1.2 Cn1cccn1 PB33818 [2,0,0,0,0,0|2,0,0]=4 281 B6R1.2 c1c(ocn1)Br AB68491 [2,0,0,0,0,0|2,0,0]=4 282 B6R1.2 c1c(ocn1)N MB10132 [2,0,0,0,0,0|2,0,0]=4 283 B6R1.2 c1cc(oc1)Br AB04890 [2,0,0,0,0,0|1,0,0]=3 284 B6R1.2 c1cc(sc1)N AB08372 [2,0,0,0,0,0|1,1,0]=4 285 B6R1.2 c1cnoc1N MB00706 [2,0,0,0,0,0|2,0,0]=4 286 B6R1.2 c1coc(n1)Br AB53255 [2,0,0,0,0,0|2,0,0]=4 287 B6R1.2 c1coc(n1)I PB15201 [2,0,0,0,0,0|2,0,0]=4 288 B6R1.2 c1coc(n1)N MB04324 [2,0,0,0,0,0|2,0,0]=4 289 B8R0.9 CC(=O)OCC(=O)C=C AB16085 [0,1,1,0,0,0|2,0,0]=4 290 B8R1.1 C1=C(N=CC1Cl)C=O PB27576 [1,1,0,0,0,0|1,0,1]=4 291 B8R1.1 CC1=CN=C(C1)C=O AB43814 [1,1,0,0,0,0|1,0,1]=4 292 B8R1.1 CC1=NC(=CC1)C=O AB43978 [1,1,0,0,0,0|1,0,1]=4 293 B8R1.1 CCc1cnc(o1)N AB64704 [1,1,0,0,0,0|1,0,1]=4 294 B8R1.1 Cc1[nH]c(cn1)C=O AB05024 [1,1,0,0,0,0|2,0,0]=4 295 B8R1.1 Cc1cc(oc1)CN PB24200 [1,1,0,0,0,0|1,0,1]=4 296 B8R1.1 Cc1cc(on1)C=O CB11269 [1,1,0,0,0,0|1,0,0]=3 297 B8R1.1 Cc1ccc(s1)C=O AB00417 [1,1,0,0,0,0|0,1,0]=3 298 B8R1.1 Cc1cnc(o1)NC AB65971 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.1 Cc1cnc(s1)C=O AB43202 [1,1,0,0,0,0|1,1,0]=4 300 B8R1.1 Cc1coc(n1)C=O PB28183 [1,1,0,0,0,0|1,0,0]=3 301 B8R1.1 Cc1coc(n1)NC AB65967 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.1 Cc1csc(n1)C=O PB14084 [1,1,0,0,0,0|1,1,0]=4 303 B8R1.1 Cc1nc(co1)C=O AB13940 [1,1,0,0,0,0|2,0,0]=4 304 B8R1.1 Cc1nc(cs1)C=O AB25415 [1,1,0,0,0,0|2,0,0]=4 305 B8R1.1 Cc1nc(on1)C=O AB57238 [1,1,0,0,0,0|2,0,0]=4 306 B8R1.1 Cc1ncc(o1)C=O AB27658 [1,1,0,0,0,0|1,0,0]=3 307 B8R1.1 Cc1ncc(s1)C=O CB11336 [1,1,0,0,0,0|1,1,0]=4 308 B8R1.1 Cc1nnc(o1)C=O AB57523 [1,1,0,0,0,0|2,0,0]=4 309 B8R1.1 Cn1cc(nc1)C=O PB24797 [1,1,0,0,0,0|2,0,0]=4 310 B8R1.1 Cn1ccc(n1)C=O AB14508 [1,1,0,0,0,0|2,0,0]=4 311 B8R1.1 c1c(csc1Br)C=O PB31345 [1,1,0,0,0,0|2,0,0]=4 312 B8R1.1 c1c(csc1C=O)Br PB24526 [1,1,0,0,0,0|0,1,0]=3 313 B8R1.1 c1c(csc1C=O)Cl PB20572 [1,1,0,0,0,0|0,1,0]=3 314 B8R1.1 c1c(csc1Cl)C=O PB18241 [1,1,0,0,0,0|2,0,0]=4 315 B8R1.1 c1c(nc(o1)Cl)C=O AB68328 [1,1,0,0,0,0|2,0,0]=4 316 B8R1.1 c1c(onc1Br)C=O AB52798 [1,1,0,0,0,0|1,0,0]=3 317 B8R1.1 c1c(sc(n1)Br)C=O AB16053 [1,1,0,0,0,0|1,1,0]=4 318 B8R1.1 c1c(sc(n1)C=O)Br PB22294 [1,1,0,0,0,0|1,1,0]=4 319 B8R1.1 c1c(sc(n1)C=O)Cl PB22169 [1,1,0,0,0,0|1,1,0]=4 320 B8R1.1 c1c(sc(n1)Cl)C=O PB14244 [1,1,0,0,0,0|1,1,0]=4 321 B8R1.1 c1c(sc(n1)N)C=O AB11362 [1,1,0,0,0,0|1,1,0]=4 322 B8R1.1 c1cc(sc1C=O)Br PB32069 [1,1,0,0,0,0|0,1,0]=3 323 B8R1.1 c1cc(sc1C=O)Cl PB17085 [1,1,0,0,0,0|0,1,0]=3 324 B8R1.8 CNCc1cccs1 AB13997 [1,1,0,0,0,0|0,1,1]=4 325 B8R1.8 CNCc1ccno1 AB27949 [1,1,0,0,0,0|1,0,1]=4 326 B8R1.8 c1cc(oc1)N=C=O AB53758 [1,1,0,0,0,0|0,0,1]=3 327 B8R1.8 c1cc(sc1)CCN PB12982 [1,1,0,0,0,0|0,1,1]=4 328 B8R1.8 c1cc(sc1)CCO PB32074 [1,1,0,0,0,0|0,1,1]=4 329 B8R1.8 c1coc(n1)CC=O AB57661 [1,1,0,0,0,0|1,0,0]=3 330 B8R1.8 c1coc(n1)N=C=O AB74260 [1,1,0,0,0,0|1,0,1]=4 331 B8R1.8 c1csc(n1)CC=O AB57662 [1,1,0,0,0,0|1,1,0]=4 332 B8R1.11 C1C=C(C(=N1)C=O)Br PB29916 [1,1,0,0,0,0|1,0,1]=4 333 B8R1.11 C1C=C(C(=N1)C=O)Cl PB23804 [1,1,0,0,0,0|1,0,1]=4 334 B8R1.11 CC1=C(N=CC1)C=O AB01496 [1,1,0,0,0,0|1,0,1]=4 335 B8R1.11 Cc1c(ccs1)C=O AB53893 [1,1,0,0,0,0|2,0,0]=4 336 B8R1.11 Cc1c(nco1)C=O AB62633 [1,1,0,0,0,0|2,0,0]=4 337 B8R1.11 Cc1c(ncs1)C=O AB62627 [1,1,0,0,0,0|2,0,0]=4 338 B8R1.11 Cc1c(scn1)C=O CB10986 [1,1,0,0,0,0|1,1,0]=4 339 B8R1.11 Cn1c(ccn1)C=O PB21218 [1,1,0,0,0,0|2,0,0]=4 340 B8R1.11 Cn1ccnc1C=O PB12922 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.11 Cn1cncc1C=O PB21631 [1,1,0,0,0,0|2,0,0]=4 342 B8R1.11 c1c(c(cs1)Br)C=O AB08778 [1,1,0,0,0,0|2,0,0]=4 343 B8R1.11 c1coc(c1Br)C=O AB31934 [1,1,0,0,0,0|0,0,0]=2 344 B8R1.11 c1csc(c1Br)C=O PB25976 [1,1,0,0,0,0|0,1,0]=3 345 B8R1.11 c1csc(c1Cl)C=O PB32269 [1,1,0,0,0,0|0,1,0]=3 346 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [0,1,0,0,0,1|2,0,0]=4 347 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [0,1,0,0,0,1|1,0,0]=3 348 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [0,1,0,0,0,1|1,0,0]=3 349 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [0,1,0,0,0,1|1,0,0]=3 350 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [0,1,0,0,0,1|1,0,0]=3 351 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [0,1,0,0,0,1|1,0,0]=3 352 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [0,1,0,0,0,1|1,0,0]=3 353 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [0,1,0,0,0,1|1,0,0]=3 354 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [0,1,0,0,0,1|1,0,0]=3 355 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [0,1,0,0,0,1|1,0,0]=3 356 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [0,1,0,0,0,1|1,0,0]=3 357 B10R1.13 CC(=O)c1ccc(nn1)Cl PB20488 [0,1,0,0,0,1|1,0,0]=3 358 B10R1.13 CC(=O)c1cnc(cn1)Cl AB65450 [0,1,0,0,0,1|1,0,0]=3 359 B10R1.13 CC(=O)c1cnc(nc1)Cl AB59098 [0,1,0,0,0,1|2,0,0]=4 360 B10R1.13 CC(=O)c1ncc(cn1)Br PB34979 [0,1,0,0,0,1|1,0,0]=3 361 B10R1.13 CC(=O)c1ncc(cn1)F PB24344 [0,1,0,0,0,1|1,0,0]=3 362 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [0,1,0,0,0,1|1,0,0]=3 363 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [0,1,0,0,0,1|2,0,0]=4 364 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [0,1,0,0,0,1|2,0,0]=4 365 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [0,1,0,0,0,1|1,0,0]=3 366 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [0,1,0,0,0,1|2,0,0]=4 367 B10R1.13 Cc1ccc(nn1)C(=O)C AB75459 [0,1,0,0,0,1|1,0,0]=3 368 B10R1.13 Cc1ccc(nn1)C(=O)O AB52759 [0,1,0,0,0,1|2,0,0]=4 369 B10R1.13 Cc1cnc(cn1)C(=O)C AB02269 [0,1,0,0,0,1|1,0,0]=3 370 B10R1.13 Cc1cnc(cn1)C(=O)N CB10282 [0,1,0,0,0,1|2,0,0]=4 371 B10R1.13 Cc1cnc(cn1)C(=O)O PB12995 [0,1,0,0,0,1|2,0,0]=4 372 B10R1.13 Cc1cnc(nc1)C(=O)O PB29748 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.13 c1c(cnc(n1)C(=O)N)Br MB01294 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.13 c1c(cnc(n1)C(=O)O)Br PB33902 [0,1,0,0,0,1|2,0,0]=4 375 B10R1.13 c1c(cnc(n1)C(=O)O)Cl PB13081 [0,1,0,0,0,1|2,0,0]=4 376 B10R1.13 c1c(cnc(n1)C(=O)O)F PB31127 [0,1,0,0,0,1|2,0,0]=4 377 B10R1.13 c1c(cnc(n1)C(=O)O)N PB34128 [0,1,0,0,0,1|2,0,0]=4 378 B10R1.13 c1c(ncc(n1)Br)C(=O)N MB14265 [0,1,0,0,0,1|2,0,0]=4 379 B10R1.13 c1c(ncc(n1)Br)C(=O)O AB54768 [0,1,0,0,0,1|2,0,0]=4 380 B10R1.13 c1c(ncc(n1)Cl)C(=O)O PB34349 [0,1,0,0,0,1|2,0,0]=4 381 B10R1.13 c1c(ncc(n1)N)C(=O)O PB32499 [0,1,0,0,0,1|2,0,0]=4 382 B10R1.13 c1c(ncc(n1)O)C(=O)O PB32161 [0,1,0,0,0,1|2,0,0]=4 383 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [0,1,0,0,0,1|2,0,0]=4 384 B10R1.13 c1cc(ncc1Br)C(=O)[O-] AB42654 [0,1,0,0,0,1|2,0,0]=4 385 B10R1.13 c1cc(ncc1C(=O)Cl)F AB42627 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.13 c1cc(ncc1C(=O)N)Br MB01098 [0,1,0,0,0,1|2,0,0]=4 387 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [0,1,0,0,0,1|2,0,0]=4 388 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [0,1,0,0,0,1|2,0,0]=4 389 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [0,1,0,0,0,1|2,0,0]=4 390 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [0,1,0,0,0,1|2,0,0]=4 392 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [0,1,0,0,0,1|2,0,0]=4 393 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [0,1,0,0,0,1|2,0,0]=4 394 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [0,1,0,0,0,1|2,0,0]=4 395 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [0,1,0,0,0,1|2,0,0]=4 396 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [0,1,0,0,0,1|2,0,0]=4 397 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [0,1,0,0,0,1|2,0,0]=4 398 B10R1.13 c1cc(nnc1C(=O)O)Cl PB27458 [0,1,0,0,0,1|2,0,0]=4 399 B10R1.13 c1cc(nnc1C(=O)O)N PB30836 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.13 c1cc(nnc1C(=O)O)O PB20339 [0,1,0,0,0,1|2,0,0]=4 401 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,1,0,0,0,1|1,0,0]=3 402 B10R1.15 CCC(=O)c1cnccn1 PB23991 [0,1,0,0,0,1|1,0,0]=3 403 B10R1.15 CNC(=O)c1cnccn1 AB70331 [0,1,0,0,0,1|1,0,0]=3 404 B10R1.15 COC(=N)c1cnccn1 AB61004 [0,1,0,0,0,1|2,0,0]=4 405 B10R1.15 COC(=O)c1cccnn1 PB28168 [0,1,0,0,0,1|1,0,0]=3 406 B10R1.15 COC(=O)c1ccncn1 PB15680 [0,1,0,0,0,1|1,0,0]=3 407 B10R1.15 COC(=O)c1ccnnc1 PB31452 [0,1,0,0,0,1|2,0,0]=4 408 B10R1.15 COC(=O)c1cncnc1 PB15822 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.15 COC(=O)c1ncccn1 PB20045 [0,1,0,0,0,1|1,0,0]=3 410 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [0,1,0,0,0,1|1,0,1]=4 411 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [0,1,0,0,0,1|1,0,0]=3 412 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [0,1,0,0,0,1|1,0,0]=3 413 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [0,1,0,0,0,1|1,0,0]=3 414 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [0,1,0,0,0,1|1,0,1]=4 415 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [0,1,0,0,0,1|1,0,1]=4 416 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [0,1,0,0,0,1|2,0,0]=4 417 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [0,1,0,0,0,1|1,0,1]=4 418 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [0,1,0,0,0,1|1,0,0]=3 419 B10R1.15 c1cnc(cn1)C(=O)NN AB07083 [0,1,0,0,0,1|2,0,0]=4 420 B10R1.15 c1cnccc1C(=O)C=O AB62328 [0,1,0,0,0,1|1,0,1]=4 421 B10R1.15 c1cnccc1C(=O)CBr AB12154 [0,1,0,0,0,1|1,0,0]=3 422 B10R1.15 c1cncnc1C(=O)NN AB28062 [0,1,0,0,0,1|2,0,0]=4 423 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [0,1,0,0,0,1|1,0,0]=3 424 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [0,1,0,0,0,1|1,0,0]=3 425 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [0,1,0,0,0,1|1,0,0]=3 426 B10R1.61 CC(=O)c1c(nccn1)Cl PB31492 [0,1,0,0,0,1|1,0,0]=3 427 B10R1.61 CC(=O)c1c(nccn1)N PB17764 [0,1,0,0,0,1|1,0,0]=3 428 B10R1.61 CC(=O)c1cccnc1Br AB18171 [0,1,0,0,0,1|1,0,0]=3 429 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [0,1,0,0,0,1|1,0,0]=3 430 B10R1.61 CC(=O)c1cccnc1F AB41104 [0,1,0,0,0,1|1,0,0]=3 431 B10R1.61 CC(=O)c1cccnc1N AB11689 [0,1,0,0,0,1|1,0,0]=3 432 B10R1.61 CC(=O)c1ccncc1Br PB12099 [0,1,0,0,0,1|1,0,0]=3 433 B10R1.61 CC(=O)c1ccncc1F PB22036 [0,1,0,0,0,1|1,0,0]=3 434 B10R1.61 CC(=O)c1ccncc1N AB41121 [0,1,0,0,0,1|1,0,0]=3 435 B10R1.61 CC(=O)c1cnccc1Br AB64732 [0,1,0,0,0,1|1,0,0]=3 436 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [0,1,0,0,0,1|1,0,0]=3 437 B10R1.61 CC(=O)c1cnccc1F AB41107 [0,1,0,0,0,1|1,0,0]=3 438 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,1,0,0,0,1|1,0,0]=3 439 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [0,1,0,0,0,1|2,0,0]=4 440 B10R1.61 Cc1c(nccn1)C(=O)O PB12562 [0,1,0,0,0,1|2,0,0]=4 441 B10R1.61 Cc1cccnc1C(=O)O PB10121 [0,1,0,0,0,1|2,0,0]=4 442 B10R1.61 Cc1ccncc1C(=O)C AB45306 [0,1,0,0,0,1|1,0,0]=3 443 B10R1.61 Cc1ccncc1C(=O)O PB17119 [0,1,0,0,0,1|2,0,0]=4 444 B10R1.61 Cc1ccnnc1C(=O)O PB17664 [0,1,0,0,0,1|2,0,0]=4 445 B10R1.61 Cc1cnccc1C(=O)O PB12103 [0,1,0,0,0,1|2,0,0]=4 446 B10R1.61 c1c(c(ncn1)C(=O)O)Br PB12688 [0,1,0,0,0,1|2,0,0]=4 447 B10R1.61 c1cc(c(nc1)Br)C(=O)O AB09561 [0,1,0,0,0,1|2,0,0]=4 448 B10R1.61 c1cc(c(nc1)C(=O)N)N PB24920 [0,1,0,0,0,1|2,0,0]=4 449 B10R1.61 c1cc(c(nc1)C(=O)O)Cl PB30690 [0,1,0,0,0,1|2,0,0]=4 450 B10R1.61 c1cc(c(nc1)C(=O)O)F PB12310 [0,1,0,0,0,1|2,0,0]=4 451 B10R1.61 c1cc(c(nc1)C(=O)O)I AB10544 [0,1,0,0,0,1|2,0,0]=4 452 B10R1.61 c1cc(c(nc1)C(=O)O)N PB32134 [0,1,0,0,0,1|2,0,0]=4 453 B10R1.61 c1cc(c(nc1)Cl)C(=O)O AB00651 [0,1,0,0,0,1|2,0,0]=4 454 B10R1.61 c1cc(c(nc1)F)C(=O)O AB01814 [0,1,0,0,0,1|2,0,0]=4 455 B10R1.61 c1cc(c(nc1)N)C(=O)O PB30535 [0,1,0,0,0,1|2,0,0]=4 456 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.61 c1cnc(c(n1)C(=O)Cl)Cl AB60404 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.61 c1cnc(c(n1)C(=O)N)N AB14047 [0,1,0,0,0,1|2,0,0]=4 460 B10R1.61 c1cnc(c(n1)C(=O)N)O CB10307 [0,1,0,0,0,1|2,0,0]=4 461 B10R1.61 c1cnc(c(n1)C(=O)O)Cl PB23222 [0,1,0,0,0,1|2,0,0]=4 462 B10R1.61 c1cnc(c(n1)C(=O)O)N AB00606 [0,1,0,0,0,1|2,0,0]=4 463 B10R1.61 c1cnc(c(n1)C(=O)O)O PB18475 [0,1,0,0,0,1|2,0,0]=4 464 B10R1.61 c1cncc(c1Br)C(=O)O AB18009 [0,1,0,0,0,1|2,0,0]=4 465 B10R1.61 c1cncc(c1C(=O)N)O MB13532 [0,1,0,0,0,1|2,0,0]=4 466 B10R1.61 c1cncc(c1C(=O)O)Br PB10062 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.61 c1cncc(c1C(=O)O)Cl AB13346 [0,1,0,0,0,1|2,0,0]=4 468 B10R1.61 c1cncc(c1C(=O)O)I AB09565 [0,1,0,0,0,1|2,0,0]=4 469 B10R1.61 c1cncc(c1C(=O)O)N PB17122 [0,1,0,0,0,1|2,0,0]=4 470 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [0,1,0,0,0,1|2,0,0]=4 471 B10R1.61 c1cncc(c1Cl)C(=O)O AB03598 [0,1,0,0,0,1|2,0,0]=4 472 B10R1.61 c1cncc(c1F)C(=O)O AB18036 [0,1,0,0,0,1|2,0,0]=4 473 B10R1.61 c1cncc(c1I)C(=O)O AB15003 [0,1,0,0,0,1|2,0,0]=4 474 B10R1.61 c1cncc(c1N)C(=O)N PB21456 [0,1,0,0,0,1|2,0,0]=4 475 B10R1.61 c1cncc(c1N)C(=O)O PB26016 [0,1,0,0,0,1|2,0,0]=4 476 B10R1.61 c1cncc(c1O)C(=O)N MB06099 [0,1,0,0,0,1|2,0,0]=4 477 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [0,1,0,0,0,1|1,0,0]=3 479 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [0,1,0,0,0,1|1,0,0]=3 480 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [0,1,0,0,0,1|1,0,0]=3 481 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [0,1,0,0,0,1|1,0,0]=3 482 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [0,1,0,0,0,1|1,0,0]=3 483 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [0,1,0,0,0,1|1,0,0]=3 484 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [0,1,0,0,0,1|1,0,0]=3 485 B10R1.113 CC(=O)c1cc(ncn1)Cl AB75829 [0,1,0,0,0,1|1,0,0]=3 486 B10R1.113 CC(=O)c1cc(nnc1)Cl AB76969 [0,1,0,0,0,1|2,0,0]=4 487 B10R1.113 CC(=O)c1cccc(n1)Br AB05570 [0,1,0,0,0,1|1,0,0]=3 488 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [0,1,0,0,0,1|1,0,0]=3 489 B10R1.113 CC(=O)c1cccc(n1)F AB50226 [0,1,0,0,0,1|1,0,0]=3 490 B10R1.113 CC(=O)c1cccc(n1)N AB67452 [0,1,0,0,0,1|1,0,0]=3 491 B10R1.113 CC(=O)c1ccnc(c1)Br AB31302 [0,1,0,0,0,1|1,0,0]=3 492 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [0,1,0,0,0,1|1,0,0]=3 493 B10R1.113 CC(=O)c1ccnc(c1)F AB50237 [0,1,0,0,0,1|1,0,0]=3 494 B10R1.113 CC(=O)c1ccnc(c1)N AB67454 [0,1,0,0,0,1|1,0,0]=3 495 B10R1.113 CC(=O)c1ccnc(n1)Cl AB76950 [0,1,0,0,0,1|1,0,0]=3 496 B10R1.113 CC(=O)c1ccnc(n1)N PB23634 [0,1,0,0,0,1|1,0,0]=3 497 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [0,1,0,0,0,1|1,0,0]=3 498 B10R1.113 Cc1cc(ccn1)C(=O)Cl AB60195 [0,1,0,0,0,1|2,0,0]=4 499 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [0,1,0,0,0,1|2,0,0]=4 500 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [0,1,0,0,0,1|2,0,0]=4 501 B10R1.113 Cc1cc(ncn1)C(=O)C AB50216 [0,1,0,0,0,1|1,0,0]=3 502 B10R1.113 Cc1cc(ncn1)C(=O)O PB20450 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [0,1,0,0,0,1|1,0,0]=3 504 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [0,1,0,0,0,1|2,0,0]=4 505 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [0,1,0,0,0,1|1,0,0]=3 506 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [0,1,0,0,0,1|2,0,0]=4 507 B10R1.113 Cc1ccnc(n1)C(=O)O PB31505 [0,1,0,0,0,1|2,0,0]=4 508 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [0,1,0,0,0,1|2,0,0]=4 509 B10R1.113 Cc1nccc(n1)C(=O)C AB04788 [0,1,0,0,0,1|1,0,0]=3 510 B10R1.113 c1c(cncc1Cl)C(=O)O PB25983 [0,1,0,0,0,1|2,0,0]=4 511 B10R1.113 c1c(cncc1F)C(=O)O PB23226 [0,1,0,0,0,1|2,0,0]=4 512 B10R1.113 c1c(cncc1N)C(=O)O PB13029 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.113 c1c(cncc1O)C(=O)N MB01725 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.113 c1c(cncc1O)C(=O)O PB33816 [0,1,0,0,0,1|2,0,0]=4 515 B10R1.113 c1c(nc(cn1)Br)C(=O)N MB14307 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.113 c1c(nc(cn1)Br)C(=O)O AB69955 [0,1,0,0,0,1|2,0,0]=4 517 B10R1.113 c1c(nc(cn1)Cl)C(=O)O PB21720 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.113 c1c(nc(cn1)N)C(=O)O AB60537 [0,1,0,0,0,1|2,0,0]=4 519 B10R1.113 c1c(ncnc1Br)C(=O)N MB14319 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.113 c1c(ncnc1Cl)C(=O)O AB48398 [0,1,0,0,0,1|2,0,0]=4 521 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [0,1,0,0,0,1|2,0,0]=4 523 B10R1.113 c1cc(nc(c1)Br)C(=O)N MB00999 [0,1,0,0,0,1|2,0,0]=4 524 B10R1.113 c1cc(nc(c1)Br)C(=O)O AB03328 [0,1,0,0,0,1|2,0,0]=4 525 B10R1.113 c1cc(nc(c1)Cl)C(=O)O AB04138 [0,1,0,0,0,1|2,0,0]=4 526 B10R1.113 c1cc(nc(c1)F)C(=O)O AB11487 [0,1,0,0,0,1|2,0,0]=4 527 B10R1.113 c1cc(nc(c1)I)C(=O)N AB42518 [0,1,0,0,0,1|2,0,0]=4 528 B10R1.113 c1cc(nc(c1)I)C(=O)O AB42497 [0,1,0,0,0,1|2,0,0]=4 529 B10R1.113 c1cc(nc(c1)N)C(=O)O PB23179 [0,1,0,0,0,1|2,0,0]=4 530 B10R1.113 c1cnc(cc1Br)C(=O)O PB21234 [0,1,0,0,0,1|2,0,0]=4 531 B10R1.113 c1cnc(cc1C(=O)N)Br AB05162 [0,1,0,0,0,1|2,0,0]=4 532 B10R1.113 c1cnc(cc1C(=O)N)Cl AB04952 [0,1,0,0,0,1|2,0,0]=4 533 B10R1.113 c1cnc(cc1C(=O)N)N AB16207 [0,1,0,0,0,1|2,0,0]=4 534 B10R1.113 c1cnc(cc1C(=O)O)Br AB09563 [0,1,0,0,0,1|2,0,0]=4 535 B10R1.113 c1cnc(cc1C(=O)O)Cl PB12125 [0,1,0,0,0,1|2,0,0]=4 536 B10R1.113 c1cnc(cc1C(=O)O)F AB11490 [0,1,0,0,0,1|2,0,0]=4 537 B10R1.113 c1cnc(cc1C(=O)O)I AB29977 [0,1,0,0,0,1|2,0,0]=4 538 B10R1.113 c1cnc(cc1C(=O)O)N PB19872 [0,1,0,0,0,1|2,0,0]=4 539 B10R1.113 c1cnc(cc1C(=O)O)O PB29144 [0,1,0,0,0,1|2,0,0]=4 540 B10R1.113 c1cnc(cc1Cl)C(=O)N AB08235 [0,1,0,0,0,1|2,0,0]=4 541 B10R1.113 c1cnc(cc1Cl)C(=O)O AB04585 [0,1,0,0,0,1|2,0,0]=4 542 B10R1.113 c1cnc(cc1F)C(=O)O AB40659 [0,1,0,0,0,1|2,0,0]=4 543 B10R1.113 c1cnc(cc1I)C(=O)O AB28008 [0,1,0,0,0,1|2,0,0]=4 544 B10R1.113 c1cnc(cc1I)C(=O)O PB20818 [0,1,0,0,0,1|2,0,0]=4 545 B10R1.113 c1cnc(cc1N)C(=O)N AB43415 [0,1,0,0,0,1|2,0,0]=4 546 B10R1.113 c1cnc(cc1N)C(=O)O PB23313 [0,1,0,0,0,1|2,0,0]=4 547 B10R1.113 c1cnc(cc1O)C(=O)N MB05243 [0,1,0,0,0,1|2,0,0]=4 548 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [0,1,0,0,0,1|2,0,0]=4 549 B10R1.113 c1cnc(nc1Br)C(=O)N MB14225 [0,1,0,0,0,1|2,0,0]=4 550 B10R1.113 c1cnc(nc1C(=O)N)Br MB14149 [0,1,0,0,0,1|2,0,0]=4 551 B10R1.113 c1cnc(nc1C(=O)N)Cl PB21684 [0,1,0,0,0,1|2,0,0]=4 552 B10R1.113 c1cnc(nc1C(=O)O)Cl AB28457 [0,1,0,0,0,1|2,0,0]=4 553 B10R1.113 c1cnc(nc1C(=O)O)N AB42844 [0,1,0,0,0,1|2,0,0]=4 554 B10R1.113 c1cnc(nc1Cl)C(=O)O AB55866 [0,1,0,0,0,1|2,0,0]=4 555 B10R1.23 c1cc(oc1)C(C(=O)O)N AB01510 [0,1,0,0,0,1|1,0,0]=3 556 B10R1.23 c1cc(oc1)[C@@H](C(=O)O)N AB14778 [0,1,0,0,0,1|1,0,0]=3 557 B10R1.23 c1cc(oc1)[C@H](C(=O)O)N AB14775 [0,1,0,0,0,1|1,0,0]=3 558 B10R1.23 c1cc(sc1)C(C(=O)O)N AB00429 [0,1,0,0,0,1|1,1,0]=4 559 B10R1.23 c1cc(sc1)[C@@H](C(=O)O)N AB03043 [0,1,0,0,0,1|1,1,0]=4 560 B10R1.23 c1cc(sc1)[C@H](C(=O)O)N AB02992 [0,1,0,0,0,1|1,1,0]=4 561 B10R1.27 CNC(=O)Cn1cccn1 AB70369 [0,1,0,0,0,1|2,0,0]=4 562 B10R1.27 COC(=O)Cc1ccsc1 PB15626 [0,1,0,0,0,1|2,0,0]=4 563 B10R1.54 CC(=O)Nc1nc(cs1)Br MB14367 [0,1,0,0,0,1|1,1,0]=4 564 B10R1.54 CC(=O)Nc1ncc(s1)Br MB00274 [0,1,0,0,0,1|1,1,0]=4 565 B10R1.54 Cc1ncc(o1)CC(=O)C AB44093 [0,1,0,0,0,1|1,0,0]=3 566 B10R1.64 Cn1cccc1CC(=O)O AB31637 [0,1,0,0,0,1|2,0,0]=4 567 B10R1.11 CCOC(=O)c1[nH]ccn1 AB14751 [0,2,0,0,0,0|2,0,0]=4 568 B10R1.11 CCOC(=O)c1ccon1 PB14547 [0,2,0,0,0,0|2,0,0]=4 569 B10R1.11 CCOC(=O)c1cnco1 AB19292 [0,2,0,0,0,0|1,0,0]=3 570 B10R1.11 CCOC(=O)c1cncs1 PB17345 [0,2,0,0,0,0|1,1,0]=4 571 B10R1.11 CCOC(=O)c1cocn1 PB21846 [0,2,0,0,0,0|2,0,0]=4 572 B10R1.11 CCOC(=O)c1cscn1 AB16049 [0,2,0,0,0,0|2,0,0]=4 573 B10R1.11 CCOC(=O)c1ncco1 AB19317 [0,2,0,0,0,0|1,0,0]=3 574 B10R1.11 CCOC(=O)c1nccs1 AB23232 [0,2,0,0,0,0|1,1,0]=4 575 B10R1.11 CCOC(=O)c1nnco1 AB58071 [0,2,0,0,0,0|2,0,0]=4 576 B10R1.11 c1cc(sc1)C(=O)CC#N PB12059 [0,2,0,0,0,0|0,1,0]=3 577 B10R1.11 c1cc(sc1)C(=O)CCCl AB24965 [0,2,0,0,0,0|0,1,0]=3 578 B10R1.11 c1cscc1C(=O)CC#N PB12090 [0,2,0,0,0,0|2,0,0]=4 579 B10R1.14 CNC(=O)c1nc(cs1)Br AB66075 [0,2,0,0,0,0|1,1,0]=4 580 B10R1.14 COC(=O)C1=NC(=CC1)Br MB07693 [0,2,0,0,0,0|1,0,1]=4 581 B10R1.14 COC(=O)C1=NC=C(C1)Br PB29127 [0,2,0,0,0,0|1,0,1]=4 582 B10R1.14 COC(=O)c1cc(cs1)Br PB18709 [0,2,0,0,0,0|0,1,0]=3 583 B10R1.14 COC(=O)c1cc(cs1)Cl PB24460 [0,2,0,0,0,0|0,1,0]=3 584 B10R1.14 COC(=O)c1cc(sc1)Br PB21329 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.14 COC(=O)c1cc(sc1)Cl PB30437 [0,2,0,0,0,0|2,0,0]=4 586 B10R1.14 COC(=O)c1ccc(s1)Br PB24794 [0,2,0,0,0,0|0,1,0]=3 587 B10R1.14 COC(=O)c1ccc(s1)Cl MB03690 [0,2,0,0,0,0|0,1,0]=3 588 B10R1.14 COC(=O)c1cnc(s1)Br AB16048 [0,2,0,0,0,0|1,1,0]=4 589 B10R1.14 COC(=O)c1cnc(s1)N AB16042 [0,2,0,0,0,0|1,1,0]=4 590 B10R1.14 COC(=O)c1csc(n1)Br AB26606 [0,2,0,0,0,0|2,0,0]=4 591 B10R1.14 COC(=O)c1csc(n1)Cl AB26609 [0,2,0,0,0,0|2,0,0]=4 592 B10R1.14 COC(=O)c1csc(n1)N AB06554 [0,2,0,0,0,0|2,0,0]=4 593 B10R1.14 COC(=O)c1nc(cs1)Br MB09382 [0,2,0,0,0,0|1,1,0]=4 594 B10R1.14 COC(=O)c1ncc(s1)Br MB14341 [0,2,0,0,0,0|1,1,0]=4 595 B10R1.14 COC(=O)c1ncc(s1)N PB39132 [0,2,0,0,0,0|1,1,0]=4 596 B10R1.14 Cc1ccc(s1)C(=O)OC AB23205 [0,2,0,0,0,0|0,1,0]=3 597 B10R1.14 Cc1cnc(o1)C(=O)OC AB53495 [0,2,0,0,0,0|1,0,0]=3 598 B10R1.14 Cc1cnc(s1)C(=O)OC AB10517 [0,2,0,0,0,0|1,1,0]=4 599 B10R1.14 Cc1csc(n1)C(=O)OC AB44701 [0,2,0,0,0,0|1,1,0]=4 600 B10R1.14 Cc1nc(co1)C(=O)OC AB13936 [0,2,0,0,0,0|2,0,0]=4 601 B10R1.14 Cc1ncc(o1)C(=O)OC AB27653 [0,2,0,0,0,0|1,0,0]=3 602 B10R1.14 c1cc(oc1C(=O)CBr)Br AB42923 [0,2,0,0,0,0|0,0,0]=2 603 B10R1.14 c1cc(sc1C(=O)C=O)Br AB48670 [0,2,0,0,0,0|0,1,1]=4 604 B10R1.149 CC1=C(N=CC1)C(=O)OC PB28024 [0,2,0,0,0,0|1,0,1]=4 605 B10R1.149 COC(=O)C1=C(N=CC1)N AB55415 [0,2,0,0,0,0|2,0,0]=4 606 B10R1.149 COC(=O)C1=NC=CC1Br PB38397 [0,2,0,0,0,0|1,0,1]=4 607 B10R1.149 COC(=O)C1=NC=CC1Cl PB31974 [0,2,0,0,0,0|1,0,1]=4 608 B10R1.149 COC(=O)c1c(cco1)N PB25248 [0,2,0,0,0,0|0,0,0]=2 609 B10R1.149 COC(=O)c1c(ccs1)Br PB25989 [0,2,0,0,0,0|0,1,0]=3 610 B10R1.149 COC(=O)c1c(ccs1)Cl PB32116 [0,2,0,0,0,0|0,1,0]=3 611 B10R1.149 COC(=O)c1c(ccs1)F CB11867 [0,2,0,0,0,0|0,1,0]=3 612 B10R1.149 COC(=O)c1c(ncs1)N AB49408 [0,2,0,0,0,0|1,1,0]=4 613 B10R1.149 COC(=O)c1ccsc1N PB30611 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.149 Cn1cccc1C(=O)OC CB10178 [0,2,0,0,0,0|1,0,0]=3 615 B10R1.149 Cn1ccnc1C(=O)OC PB27571 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.149 Cn1cncc1C(=O)OC PB26064 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.149 c1[nH]c(c(n1)C(=O)CN)N PB31925 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.55 CS(=O)(=O)c1ccc(s1)Br PB12486 [0,2,0,0,0,0|1,1,0]=4 619 B10R1.31 CC(=O)c1nc(co1)CCl AB77016 [0,2,0,0,0,0|1,0,0]=3 620 B10R1.31 COc1cc(on1)C(=O)O AB31988 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.31 c1cc(sc1C#N)C(=O)N AB65695 [0,2,0,0,0,0|1,1,0]=4 622 B10R1.31 c1cc(sc1C=O)C(=O)N AB65691 [0,2,0,0,0,0|1,1,0]=4 623 B10R1.58 c1c(c(sc1C(=O)N)Br)Br AB06057 [0,2,0,0,0,0|1,1,0]=4 624 B10R1.59 Cc1cc(n(n1)C)C(=O)C AB20875 [0,2,0,0,0,0|2,0,0]=4 625 B10R1.59 Cc1cc(sc1C(=O)O)Br CB11471 [0,2,0,0,0,0|1,1,0]=4 626 B10R1.59 Cn1cc(cc1C(=O)O)N AB42940 [0,2,0,0,0,0|2,0,0]=4 627 B10R1.59 c1c(c(sc1Br)C(=O)N)N AB65687 [0,2,0,0,0,0|1,1,0]=4 628 B10R1.59 c1c(cn(c1C(=O)O)N)Br MB14547 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.194 Cc1c(csc1C(=O)Cl)Br AB13922 [0,2,0,0,0,0|1,1,0]=4 630 B10R1.194 Cc1c(csc1C(=O)N)Br AB65689 [0,2,0,0,0,0|1,1,0]=4 631 B10R1.194 Cc1ncc(n1C)C(=O)C AB45828 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.194 c1c(c(c(s1)C(=O)O)N)Br AB65684 [0,2,0,0,0,0|1,1,0]=4 633 B10R1.39 c1csc(c1C#N)C(=O)O AB09996 [0,2,0,0,0,0|1,1,0]=4 634 B8R1.4 C1C(=CC=NC1=O)Br PB17828 [0,0,1,1,0,0|2,0,0]=4 635 B8R1.4 Cc1cc(ccn1)O PB24839 [0,0,1,1,0,0|2,0,0]=4 636 B8R1.4 Cc1cc(cnc1)O MB01362 [0,0,1,1,0,0|2,0,0]=4 637 B8R1.4 Cc1cccc(n1)Br AB01812 [0,0,1,1,0,0|2,0,0]=4 638 B8R1.4 Cc1cccc(n1)Cl AB00666 [0,0,1,1,0,0|2,0,0]=4 639 B8R1.4 Cc1cccc(n1)F AB01860 [0,0,1,1,0,0|2,0,0]=4 640 B8R1.4 Cc1cccc(n1)N AB00717 [0,0,1,1,0,0|2,0,0]=4 641 B8R1.4 Cc1cccc(n1)O AB00679 [0,0,1,1,0,0|1,0,0]=3 642 B8R1.4 Cc1cccc(n1)S AB25230 [0,0,1,1,0,0|1,1,0]=4 643 B8R1.4 Cc1ccnc(c1)O AB03735 [0,0,1,1,0,0|2,0,0]=4 644 B8R1.4 c1cc(nc(c1)Br)O AB05100 [0,0,1,1,0,0|2,0,0]=4 645 B8R1.5 Cc1c(cccn1)Br PB27472 [0,0,1,1,0,0|2,0,0]=4 646 B8R1.5 Cc1c(cccn1)Cl AB17903 [0,0,1,1,0,0|2,0,0]=4 647 B8R1.5 Cc1c(cccn1)F AB48604 [0,0,1,1,0,0|2,0,0]=4 648 B8R1.5 Cc1c(cccn1)N PB33695 [0,0,1,1,0,0|2,0,0]=4 649 B8R1.5 Cc1c(cccn1)O PB18442 [0,0,1,1,0,0|1,0,0]=3 650 B8R1.5 Cc1c(nccn1)O PB12942 [0,0,1,1,0,0|2,0,0]=4 651 B8R1.5 Cc1cccnc1O AB03538 [0,0,1,1,0,0|2,0,0]=4 652 B8R1.5 Cc1ccncc1O PB23391 [0,0,1,1,0,0|2,0,0]=4 653 B8R1.5 c1cc(c(nc1)Br)O PB28951 [0,0,1,1,0,0|2,0,0]=4 654 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [0,0,1,1,0,0|2,0,0]=4 655 B8R1.5 c1cc(c(nc1)I)O MB00322 [0,0,1,1,0,0|2,0,0]=4 656 B8R1.5 c1cc(c(nc1)N)O AB00700 [0,0,1,1,0,0|2,0,0]=4 657 B8R1.5 c1cc(c(nc1)N)O AB17906 [0,0,1,1,0,0|2,0,0]=4 658 B10R2.32 C1CC(=O)C2=CN=CC21 AB22250 [0,1,0,1,0,0|2,0,0]=4 659 B8R1.2 C1CC(OC=C1)C=O PB24581 [1,0,0,0,0,1|0,0,2]=4 660 B8R1.2 CNc1cccnc1 AB09114 [1,0,0,0,0,1|2,0,0]=4 661 B8R1.2 CNc1ccncn1 AB60623 [1,0,0,0,0,1|2,0,0]=4 662 B8R1.2 CNc1ncccn1 AB05135 [1,0,0,0,0,1|2,0,0]=4 663 B8R1.2 COc1cccnc1 AB06864 [1,0,0,0,0,1|2,0,0]=4 664 B8R1.2 COc1cccnn1 AB05130 [1,0,0,0,0,1|2,0,0]=4 665 B8R1.2 c1c(cncn1)C=O PB32342 [1,0,0,0,0,1|2,0,0]=4 666 B8R1.2 c1cc(cnc1)C=O AB00744 [1,0,0,0,0,1|1,0,0]=3 667 B8R1.2 c1cc(nnc1)C=O PB20119 [1,0,0,0,0,1|1,0,0]=3 668 B8R1.2 c1ccnc(c1)C=O AB00680 [1,0,0,0,0,1|1,0,0]=3 669 B8R1.2 c1cnc(cn1)C=O PB19982 [1,0,0,0,0,1|1,0,0]=3 670 B8R1.2 c1cnc(nc1)C=O PB34235 [1,0,0,0,0,1|1,0,0]=3 671 B8R1.2 c1cnccc1C=O AB00754 [1,0,0,0,0,1|1,0,0]=3 672 B8R1.2 c1cncnc1C=O AB16150 [1,0,0,0,0,1|1,0,0]=3 673 B8R1.2 c1cnncc1C=O PB17346 [1,0,0,0,0,1|2,0,0]=4 674 B8R1.2 c1ncnc(n1)C=O AB60788 [1,0,0,0,0,1|2,0,0]=4 675 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [0,0,0,0,0,2|1,0,0]=3 676 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [0,0,0,0,0,2|1,0,0]=3 677 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [0,0,0,0,0,2|1,0,0]=3 678 B10R1.18 CC(=O)Cc1ncccn1 MB07248 [0,0,0,0,0,2|1,0,0]=3 679 B10R1.18 CC(=O)Nc1ccncc1 AB06982 [0,0,0,0,0,2|1,0,0]=3 680 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [0,0,0,0,0,2|2,0,0]=4 681 B10R1.18 c1cc(nnc1)CC(=O)O PB14847 [0,0,0,0,0,2|2,0,0]=4 682 B10R1.18 c1cnc(cn1)CC(=O)O PB10382 [0,0,0,0,0,2|2,0,0]=4 683 B10R1.18 c1cnc(nc1)CC(=O)O PB34087 [0,0,0,0,0,2|2,0,0]=4 684 B10R1.18 c1cncnc1CC(=O)O PB21983 [0,0,0,0,0,2|2,0,0]=4