0 B10R1.66 CC(=O)C=Cc1ccco1 TS70735 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.66 CC(=O)C=Cc1cccs1 TS41166 [0,0,0,0,0,0|1,1,1]=3 2 B10R1.66 CC(=O)CCn1cccn1 TS16749 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.66 CC(=O)CCn1ccnc1 TS37201 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.66 CC(=O)CSc1cccs1 TS13242 [0,0,0,0,0,0|2,1,0]=3 5 B10R1.66 CC(=O)OCc1ccco1 TS37347 [0,0,0,0,0,0|0,1,0]=1 6 B10R1.66 CC(=S)OCc1ccco1 TS10696 [0,0,0,0,0,0|0,2,0]=2 7 B10R1.66 CC(C)SCc1ccco1 TS41673 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.66 CN(C)N=Cc1ccco1 TS37185 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.66 c1c(nc[nH]1)CCC(=O)O TS37352 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.66 c1c[nH]cc1CCC(=O)O TS06358 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.66 c1cc([nH]c1)CCC(=O)O TS02495 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.66 c1cc(oc1)C=CC(=O)O TS06232 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.66 c1cc(oc1)C=CC(=O)O TS94913 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.66 c1cc(oc1)C=C[N+](=O)[O-] TS06353 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.66 c1cc(oc1)CCC(=O)O TS37339 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.66 c1cc(oc1)CNC(=S)N TS10705 [0,0,0,0,0,0|2,1,0]=3 17 B10R1.66 c1cc(sc1)C=CC(=O)Cl TS45576 [0,0,0,0,0,0|2,1,1]=4 18 B10R1.66 c1cc(sc1)C=CC(=O)O TS41387 [0,0,0,0,0,0|2,1,1]=4 19 B10R1.66 c1cc(sc1)CCC(=O)O TS41627 [0,0,0,0,0,0|2,1,0]=3 20 B10R1.66 c1cnc([nH]1)CCC(=O)O TS08837 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.66 c1csc(n1)CCC(=O)O TS41784 [0,0,0,0,0,0|3,1,0]=4 22 B9R1.12 CCCCc1ccco1 TS35998 [1,0,0,0,0,0|1,0,1]=3 23 B9R1.12 CCCCc1cccs1 TS37432 [1,0,0,0,0,0|1,1,1]=4 24 B9R1.12 CCSCc1ccco1 TS37624 [1,0,0,0,0,0|0,0,1]=2 25 B9R1.12 CNCCc1cccs1 TS06619 [1,0,0,0,0,0|2,1,0]=4 26 B9R1.12 CSSCc1ccco1 TS42220 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.12 c1cc(oc1)C=CC=O TS32492 [1,0,0,0,0,0|1,0,1]=3 28 B9R1.12 c1cc(oc1)CN=C=S TS37302 [1,0,0,0,0,0|1,1,1]=4 29 B9R1.12 c1cc(oc1)COC=S TS37580 [1,0,0,0,0,0|0,2,0]=3 30 B11R1.25 C=CC(=O)OCc1ccco1 TS10140 [0,1,0,0,0,0|0,1,1]=3 31 B11R1.25 CCC(=O)OCc1ccco1 TS41356 [0,1,0,0,0,0|0,1,0]=2 32 B11R1.25 CCC(=S)OCc1ccco1 TS12832 [0,1,0,0,0,0|0,2,0]=3 33 B11R1.25 COC(=O)C=Cc1cccs1 TS44888 [0,1,0,0,0,0|1,1,1]=4 34 B11R1.25 COC(=O)CCc1cccs1 TS45152 [0,1,0,0,0,0|1,1,0]=3 35 B11R1.25 c1cc(oc1)CCC(=O)NN TS41373 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.25 c1cc(oc1)CNC(=O)CCl TS13409 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.25 c1cc(oc1)CNC(=S)NN TS13022 [0,1,0,0,0,0|2,1,0]=4 38 B11R1.35 c1cc([nH]c1)CC(C(=O)O)N TS10421 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.35 c1cc(oc1)CC(C(=O)O)N TS41492 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.35 c1cc(oc1)C[C@@H](C(=O)O)N TS10563 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.35 c1cc(oc1)C[C@H](C(=O)O)N TS41502 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.35 c1cc(sc1)CC(C(=O)O)N TS13010 [0,1,0,0,0,0|2,1,0]=4 43 B11R1.35 c1cc(sc1)C[C@@H](C(=O)O)N TS13019 [0,1,0,0,0,0|2,1,0]=4 44 B11R1.35 c1cc(sc1)C[C@H](C(=O)O)N TS65678 [0,1,0,0,0,0|2,1,0]=4 45 B11R1.75 Cc1ccc(o1)C=CC(=O)O TS10135 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.75 Cc1ccc(o1)CCC(=O)C TS41148 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.75 c1cc(oc1C=CC(=O)O)I TS29989 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.77 CC(=O)CC(=O)c1ccco1 TS10127 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.77 c1cc([nH]c1)C(CC(=O)O)N TS41375 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.77 c1cc(oc1)C(CC(=O)O)N TS41495 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.77 c1cc(oc1)[C@@H](CC(=O)O)N TS41499 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.77 c1cc(oc1)[C@H](CC(=O)O)N TS41501 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.77 c1cc(sc1)[C@@H](CC(=O)O)N TS45324 [0,1,0,0,0,0|2,1,0]=4 54 B11R1.77 c1cc(sc1)[C@H](CC(=O)O)N TS13013 [0,1,0,0,0,0|2,1,0]=4 55 B9R0.2 CC=CC=CCOC(=O)C TS37384 [0,0,1,0,0,0|1,1,0]=3 56 B9R1.13 CC(=O)CC1CCC=C1 TS36006 [0,0,0,0,1,0|1,0,2]=4 57 B9R1.13 CC(=O)Cc1ccco1 TS32606 [0,0,0,0,1,0|0,0,0]=1 58 B9R1.13 CC(=O)Nc1cccs1 TS08939 [0,0,0,0,1,0|1,1,0]=3 59 B9R1.13 CC(=O)Nc1ccsc1 TS37502 [0,0,0,0,1,0|3,0,0]=4 60 B9R1.13 CC(=O)Nc1nccs1 TS37583 [0,0,0,0,1,0|2,1,0]=4 61 B9R1.13 CC(Cc1cccs1)O TS37625 [0,0,0,0,1,0|0,1,2]=4 62 B9R1.13 CN(C)Cc1cccs1 TS06616 [0,0,0,0,1,0|2,1,0]=4 63 B9R1.13 c1c(nc[nH]1)CC(=O)O TS42528 [0,0,0,0,1,0|3,0,0]=4 64 B9R1.13 c1c(nc[nH]1)CC(=O)[O-] TS40591 [0,0,0,0,1,0|3,0,0]=4 65 B9R1.13 c1c(nc[nH]1)CC(=O)[O-] TS43002 [0,0,0,0,1,0|3,0,0]=4 66 B9R1.13 c1c[nH]cc1CC(=O)O TS05070 [0,0,0,0,1,0|3,0,0]=4 67 B9R1.13 c1cc([nH]c1)CC(=O)O TS94888 [0,0,0,0,1,0|2,0,0]=3 68 B9R1.13 c1cc(oc1)CC(=O)O TS56166 [0,0,0,0,1,0|1,0,0]=2 69 B9R1.13 c1cc(sc1)CC(=N)N TS37404 [0,0,0,0,1,0|2,1,0]=4 70 B9R1.13 c1cc(sc1)CC(=O)Cl TS65658 [0,0,0,0,1,0|1,1,0]=3 71 B9R1.13 c1cc(sc1)CC(=O)N TS37498 [0,0,0,0,1,0|1,1,0]=3 72 B9R1.13 c1cc(sc1)CC(=O)O TS65656 [0,0,0,0,1,0|1,1,0]=3 73 B9R1.13 c1csc(n1)CC(=O)O TS88799 [0,0,0,0,1,0|2,1,0]=4 74 B9R1.13 c1cscc1CC(=O)Cl TS42246 [0,0,0,0,1,0|3,0,0]=4 75 B9R1.13 c1cscc1CC(=O)O TS00281 [0,0,0,0,1,0|3,0,0]=4 76 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [0,0,0,0,0,1|2,1,0]=4 77 B11R1.91 CC(=O)C#Cc1ccccc1 TS39336 [0,0,0,0,0,1|2,0,1]=4 78 B11R1.91 CC(=O)C=Cc1ccccc1 TS07221 [0,0,0,0,0,1|2,0,1]=4 79 B11R1.91 CC(=O)C=Cc1ccccc1 TS93157 [0,0,0,0,0,1|2,0,1]=4 80 B11R1.91 CC(=O)CCc1ccccc1 TS40645 [0,0,0,0,0,1|2,0,0]=3 81 B11R1.91 CC(=O)COc1ccccc1 TS40853 [0,0,0,0,0,1|3,0,0]=4 82 B11R1.91 CC(=O)CSc1ccccc1 TS12279 [0,0,0,0,0,1|3,0,0]=4 83 B11R1.91 CC(=O)NCc1ccccc1 TS07571 [0,0,0,0,0,1|2,0,0]=3 84 B11R1.91 CC(=O)NCc1cccnc1 TS40869 [0,0,0,0,0,1|2,0,0]=3 85 B11R1.91 CC(=O)NNc1ccccc1 TS09877 [0,0,0,0,0,1|3,0,0]=4 86 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [0,0,0,0,0,1|1,1,0]=3 87 B11R1.91 CC(=O)OCc1ccccn1 TS41002 [0,0,0,0,0,1|1,1,0]=3 88 B11R1.91 CC(=O)OCc1ccncc1 TS40990 [0,0,0,0,0,1|1,1,0]=3 89 B11R1.91 CC(=O)O[Hg]c1ccccc1 TS64055 [0,0,0,0,0,1|2,1,0]=4 90 B11R1.91 CC(=O)O[Hg]c1ccccn1 TS78341 [0,0,0,0,0,1|2,1,0]=4 91 B11R1.91 CC(=O)SSc1ccccc1 TS74797 [0,0,0,0,0,1|2,0,0]=3 92 B11R1.91 c1cc(cnc1)CCC(=O)O TS09416 [0,0,0,0,0,1|3,0,0]=4 93 B11R1.91 c1ccc(cc1)CCC(=O)Cl TS02876 [0,0,0,0,0,1|3,0,0]=4 94 B11R1.91 c1ccc(cc1)CCC(=O)N TS40758 [0,0,0,0,0,1|3,0,0]=4 95 B11R1.91 c1ccc(cc1)CCC(=O)O TS33063 [0,0,0,0,0,1|3,0,0]=4 96 B11R1.91 c1ccc(cc1)CNC(=O)N TS40871 [0,0,0,0,0,1|3,0,0]=4 97 B11R1.91 c1ccc(cc1)COC(=O)Cl TS01383 [0,0,0,0,0,1|2,1,0]=4 98 B11R1.91 c1ccc(cc1)COC(=O)N TS01381 [0,0,0,0,0,1|2,1,0]=4 99 B11R1.91 c1ccc(cc1)CSC(=N)N TS19496 [0,0,0,0,0,1|3,0,0]=4 100 B11R1.91 c1ccnc(c1)CCC(=O)O TS40994 [0,0,0,0,0,1|3,0,0]=4 101 B11R1.172 CC(=O)CSCc1ccco1 TS12834 [0,0,0,0,0,1|0,0,0]=1 102 B11R1.172 CC(=O)NCCc1c[nH]cn1 TS10322 [0,0,0,0,0,1|3,0,0]=4 103 B11R1.172 c1cc(sc1)CCCC(=O)O TS12828 [0,0,0,0,0,1|2,1,0]=4 104 B8R1.8 CCCc1ccco1 TS31836 [2,0,0,0,0,0|0,0,1]=3 105 B8R1.8 CCCc1cccs1 TS36171 [2,0,0,0,0,0|0,1,1]=4 106 B8R1.8 CNCc1ccco1 TS04251 [2,0,0,0,0,0|1,0,0]=3 107 B8R1.8 CNCc1ccco1 TS07391 [2,0,0,0,0,0|1,0,0]=3 108 B8R1.8 CNCc1cccs1 TS01562 [2,0,0,0,0,0|1,1,0]=4 109 B8R1.8 CNCc1cccs1 TS11775 [2,0,0,0,0,0|1,1,0]=4 110 B8R1.8 CNCc1ccno1 TS04292 [2,0,0,0,0,0|2,0,0]=4 111 B8R1.8 COCc1ccco1 TS31900 [2,0,0,0,0,0|0,1,0]=3 112 B8R1.8 CSCc1ccco1 TS05367 [2,0,0,0,0,0|0,0,0]=2 113 B8R1.8 c1cc(oc1)CCO TS31915 [2,0,0,0,0,0|0,0,2]=4 114 B10R0.74 CCC(=O)OCC=CC=CC TS41399 [0,1,1,0,0,0|1,1,0]=4 115 B10R1.11 CCCC(c1ccco1)O TS37386 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.16 Cc1ccc(o1)CCC=O TS37180 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.16 Cc1ccc(o1)CSSC TS13563 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.21 c1cc(oc1)CSCCN TS10886 [1,1,0,0,0,0|0,0,1]=3 119 B10R1.23 c1cc(oc1)C(=O)C(=O)N TS06348 [0,1,0,0,1,0|1,0,1]=4 120 B10R1.23 c1cc(oc1)C(=O)C(=O)O TS02176 [0,1,0,0,1,0|1,0,1]=4 121 B10R1.23 c1cc(oc1)C(C(=O)O)N TS06573 [0,1,0,0,1,0|1,0,0]=3 122 B10R1.23 c1cc(sc1)C(C(=O)O)N TS41779 [0,1,0,0,1,0|1,1,0]=4 123 B10R1.23 c1cc(sc1)[C@@H](C(=O)O)N TS41781 [0,1,0,0,1,0|1,1,0]=4 124 B10R1.23 c1cc(sc1)[C@H](C(=O)O)N TS08075 [0,1,0,0,1,0|1,1,0]=4 125 B10R1.54 CC(=O)Nc1ccc(s1)Br TS22694 [0,1,0,0,1,0|1,1,0]=4 126 B10R1.54 CC(=O)Nc1ccc(s1)Cl TS13763 [0,1,0,0,1,0|1,1,0]=4 127 B10R1.54 Cc1ccc(o1)CN(C)C TS37308 [0,1,0,0,1,0|2,0,0]=4 128 B10R1.64 Cn1cccc1CC(=O)O TS47003 [0,1,0,0,1,0|2,0,0]=4 129 B12R1.21 CC(=O)CCc1ccc(cc1)Cl TS48370 [0,1,0,0,0,1|2,0,0]=4 130 B12R1.21 CC(=O)CCc1ccc(cc1)O TS11860 [0,1,0,0,0,1|2,0,0]=4 131 B12R1.21 CC(=O)NCc1ccc(cc1)N TS11902 [0,1,0,0,0,1|2,0,0]=4 132 B12R1.21 CC(=O)OCc1ccc(cc1)Cl TS48659 [0,1,0,0,0,1|1,1,0]=4 133 B12R1.21 Cc1ccc(cc1)COC(=O)C TS11893 [0,1,0,0,0,1|1,1,0]=4 134 B12R1.27 CCC(=O)CCc1ccccc1 TS08927 [0,1,0,0,0,1|2,0,0]=4 135 B12R1.27 CCC(=O)OCc1ccccc1 TS42731 [0,1,0,0,0,1|1,1,0]=4 136 B12R1.27 COC(=O)CCc1ccccc1 TS08580 [0,1,0,0,0,1|2,0,0]=4 137 B12R1.27 COC(=O)CCc1ccncc1 TS12012 [0,1,0,0,0,1|2,0,0]=4 138 B12R1.27 c1ccc(cc1)CNC(=O)CBr TS24462 [0,1,0,0,0,1|2,0,0]=4 139 B12R1.27 c1ccc(cc1)CNC(=O)CCl TS48489 [0,1,0,0,0,1|2,0,0]=4 140 B12R1.27 c1ccc(cc1)COC(=O)CBr TS59636 [0,1,0,0,0,1|1,1,0]=4 141 B12R1.27 c1ccc(cc1)COC(=O)CCl TS48661 [0,1,0,0,0,1|1,1,0]=4 142 B12R1.27 c1ccc(cc1)COC(=O)CN TS01384 [0,1,0,0,0,1|1,1,0]=4 143 B12R1.27 c1ccc(cc1)COC(=O)CN TS42888 [0,1,0,0,0,1|1,1,0]=4 144 B12R1.27 c1ccc(cc1)COC(=O)CN TS78338 [0,1,0,0,0,1|1,1,0]=4 145 B12R1.27 c1ccc(cc1)COC(=O)CO TS12174 [0,1,0,0,0,1|1,1,0]=4 146 B12R1.27 c1ccc(cc1)COC(=O)CS TS15006 [0,1,0,0,0,1|1,1,0]=4 147 B12R1.107 CC(c1ccccc1)NC(=O)C TS11732 [0,1,0,0,0,1|2,0,0]=4 148 B12R1.107 CC(c1ccccc1)OC(=O)C TS39949 [0,1,0,0,0,1|1,1,0]=4 149 B12R1.107 C[C@@H](c1ccccc1)NC(=O)C TS11712 [0,1,0,0,0,1|2,0,0]=4 150 B12R1.107 C[C@H](c1ccccc1)NC(=O)C TS11718 [0,1,0,0,0,1|2,0,0]=4 151 B12R1.125 CC(=O)NCc1ccccc1Br TS24458 [0,1,0,0,0,1|2,0,0]=4 152 B12R1.125 Cc1ccccc1COC(=O)C TS42751 [0,1,0,0,0,1|1,1,0]=4 153 B12R1.260 c1cc(oc1)C[C@@H](CC(=O)O)N TS44998 [0,1,0,0,0,1|2,0,0]=4 154 B12R1.260 c1cc(oc1)C[C@H](CC(=O)O)N TS44988 [0,1,0,0,0,1|2,0,0]=4 155 B12R1.264 CC(=C)C(=O)OCc1ccco1 TS12175 [0,1,0,0,0,1|1,1,0]=4 156 B12R1.26 c1c(o[nH]c1=O)CNC(=O)CN TS28287 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.51 CCOC(=O)C=Cc1ccco1 TS12196 [0,2,0,0,0,0|1,0,1]=4 158 B12R1.51 CCOC(=O)CCc1ccco1 TS55375 [0,2,0,0,0,0|1,0,0]=3 159 B12R1.59 CC(=O)OCc1ccc(o1)C=O TS03207 [0,2,0,0,0,0|0,1,0]=3 160 B12R1.110 Cc1cc(oc1C)CCC(=O)O TS44865 [0,2,0,0,0,0|2,0,0]=4 161 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [0,0,1,1,0,0|1,0,1]=4 162 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [0,0,1,1,0,0|2,0,0]=4 163 B10R1.61 CC(=O)c1ccccc1O TS01063 [0,0,1,1,0,0|1,0,1]=4 164 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [0,0,1,1,0,0|1,0,1]=4 165 B10R2.2 c1csc2c1NC(=O)C2 TS60409 [0,0,0,1,1,0|1,1,0]=4 166 B12R2.22 c1ccc(cc1)C2CC(=O)C2 TS89513 [0,0,0,1,0,1|2,0,0]=4 167 B12R2.22 c1ccc(cc1)C2CC(=O)N2 TS40527 [0,0,0,1,0,1|2,0,0]=4 168 B12R2.24 c1c2c(ncn1)CCC(=O)C2 TS40630 [0,0,0,1,0,1|2,0,0]=4 169 B12R2.24 c1ccc2c(c1)CC(=O)NC2 TS46807 [0,0,0,1,0,1|2,0,0]=4 170 B12R2.24 c1ccc2c(c1)CC(=O)OC2 TS08988 [0,0,0,1,0,1|1,1,0]=4 171 B12R2.24 c1ccc2c(c1)CCC(=O)C2 TS65651 [0,0,0,1,0,1|2,0,0]=4 172 B8R1.7 CC(=O)[c-]1cccc1 TS30755 [0,0,0,0,2,0|1,0,1]=4 173 B8R1.7 CC(=O)c1[nH]ccn1 TS31817 [0,0,0,0,2,0|2,0,0]=4 174 B8R1.7 CC(=O)c1c[nH]cn1 TS02951 [0,0,0,0,2,0|2,0,0]=4 175 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [0,0,0,0,2,0|2,0,0]=4 176 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [0,0,0,0,2,0|1,0,0]=3 177 B8R1.7 CC(=O)c1ccco1 TS04188 [0,0,0,0,2,0|0,0,0]=2 178 B8R1.7 CC(=O)c1cccs1 TS08262 [0,0,0,0,2,0|0,1,0]=3 179 B8R1.7 CC(=O)c1ccn[nH]1 TS07280 [0,0,0,0,2,0|2,0,0]=4 180 B8R1.7 CC(=O)c1ccns1 TS05261 [0,0,0,0,2,0|1,1,0]=4 181 B8R1.7 CC(=O)c1ccsc1 TS65833 [0,0,0,0,2,0|2,0,0]=4 182 B8R1.7 CC(=O)c1cncs1 TS46736 [0,0,0,0,2,0|1,1,0]=4 183 B8R1.7 CC(=O)c1nccs1 TS08261 [0,0,0,0,2,0|1,1,0]=4 184 B8R1.7 CC(=O)n1cccn1 TS04194 [0,0,0,0,2,0|2,0,0]=4 185 B8R1.7 CC(c1ccco1)N TS04253 [0,0,0,0,2,0|1,0,1]=4 186 B8R1.7 CC(c1ccco1)O TS31898 [0,0,0,0,2,0|0,0,2]=4 187 B8R1.7 C[C@H](c1ccco1)O TS31904 [0,0,0,0,2,0|0,0,2]=4 188 B8R1.7 c1c(ocn1)C(=O)N TS04275 [0,0,0,0,2,0|2,0,0]=4 189 B8R1.7 c1c(ocn1)C(=O)O TS01173 [0,0,0,0,2,0|2,0,0]=4 190 B8R1.7 c1cc([nH]c1)C(=O)N TS31822 [0,0,0,0,2,0|2,0,0]=4 191 B8R1.7 c1cc([nH]c1)C(=O)O TS01673 [0,0,0,0,2,0|2,0,0]=4 192 B8R1.7 c1cc(oc1)C(=N)N TS31821 [0,0,0,0,2,0|2,0,0]=4 193 B8R1.7 c1cc(oc1)C(=O)Cl TS36564 [0,0,0,0,2,0|1,0,0]=3 194 B8R1.7 c1cc(oc1)C(=O)N TS04237 [0,0,0,0,2,0|1,0,0]=3 195 B8R1.7 c1cc(oc1)C(=O)O TS04269 [0,0,0,0,2,0|1,0,0]=3 196 B8R1.7 c1cc(oc1)C(=S)N TS05264 [0,0,0,0,2,0|1,1,0]=4 197 B8R1.7 c1cc(oc1)[N+](=O)[O-] TS07968 [0,0,0,0,2,0|2,0,0]=4 198 B8R1.7 c1cc(sc1)C(=O)Cl TS07285 [0,0,0,0,2,0|1,1,0]=4 199 B8R1.7 c1cc(sc1)C(=O)N TS05268 [0,0,0,0,2,0|1,1,0]=4 200 B8R1.7 c1cc(sc1)C(=O)O TS59443 [0,0,0,0,2,0|1,1,0]=4 201 B8R1.7 c1cc(sc1)C(=O)[O-] TS36230 [0,0,0,0,2,0|1,1,0]=4 202 B8R1.7 c1cc(sc1)C(=O)[O-] TS40815 [0,0,0,0,2,0|1,1,0]=4 203 B8R1.7 c1cnoc1C(=O)Cl TS56205 [0,0,0,0,2,0|2,0,0]=4 204 B8R1.7 c1cnoc1C(=O)N TS04271 [0,0,0,0,2,0|2,0,0]=4 205 B8R1.7 c1coc(n1)C(=O)N TS04277 [0,0,0,0,2,0|2,0,0]=4 206 B8R1.7 c1coc(n1)C(=O)O TS39923 [0,0,0,0,2,0|2,0,0]=4 207 B10R1.17 CC=CCc1ccccc1 TS36709 [1,0,0,0,0,1|2,0,0]=4 208 B10R1.17 CCSCc1ccccc1 TS41200 [1,0,0,0,0,1|1,0,1]=4 209 B10R1.17 CSSCc1ccccc1 TS12900 [1,0,0,0,0,1|2,0,0]=4 210 B10R1.17 c1ccc(cc1)CCC=O TS01796 [1,0,0,0,0,1|2,0,0]=4 211 B10R1.17 c1ccc(cc1)CNC=O TS36937 [1,0,0,0,0,1|2,0,0]=4 212 B10R1.17 c1ccc(cc1)COC=O TS36984 [1,0,0,0,0,1|1,1,0]=4 213 B12R1.252 CC(=O)CSCc1ccccc1 TS14651 [0,0,0,0,0,2|1,0,0]=3 214 B12R1.252 CC(=O)NCCc1ccccc1 TS42602 [0,0,0,0,0,2|2,0,0]=4 215 B12R1.252 CC(=O)OCCc1ccccc1 TS11854 [0,0,0,0,0,2|1,1,0]=4 216 B12R1.252 c1ccc(cc1)CSCC(=O)N TS14831 [0,0,0,0,0,2|2,0,0]=4 217 B12R1.252 c1ccc(cc1)CSCC(=O)O TS15003 [0,0,0,0,0,2|2,0,0]=4 218 B12R1.255 CC(=O)C=CC=Cc1ccco1 TS42450 [0,0,0,0,0,2|1,0,1]=4