0 B13R1.45 CC(=O)CCC(=O)c1ccccc1 TS13844 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.45 CC(=O)OCC(=O)c1ccccc1 TS47341 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.45 CC(=O)OCC(=O)c1ccccc1 TS47511 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.45 CC(C)COC(=O)c1ccccc1 TS47554 [0,0,0,0,0,0|0,0,0]=0 4 B13R1.45 CC(C)NCC(c1ccccc1)O TS21946 [0,0,0,0,0,0|2,0,2]=4 5 B13R1.45 CC(CCC(=O)c1ccccc1)Br TS67693 [0,0,0,0,0,0|2,0,0]=2 6 B13R1.45 CN(C)C=CC(=O)c1ccccc1 TS45993 [0,0,0,0,0,0|2,0,1]=3 7 B13R1.45 CN(C)C=CC(=O)c1cccnc1 TS46120 [0,0,0,0,0,0|3,0,1]=4 8 B13R1.45 CN(C)C=CC(=O)c1ccncc1 TS13872 [0,0,0,0,0,0|3,0,1]=4 9 B13R1.45 CN(C)CCC(c1ccccc1)Cl TS25505 [0,0,0,0,0,0|3,0,1]=4 10 B13R1.45 CN(C)CCC(c1ccccc1)N TS47615 [0,0,0,0,0,0|3,0,1]=4 11 B13R1.45 CN(C)CCC(c1ccccc1)O TS14460 [0,0,0,0,0,0|2,0,2]=4 12 B13R1.45 CN(CCC(=O)c1ccccc1)O TS14402 [0,0,0,0,0,0|3,0,0]=3 13 B13R1.45 c1ccc(cc1)C(=O)CCC(=O)O TS47500 [0,0,0,0,0,0|3,0,1]=4 14 B13R1.45 c1ccc(cc1)C(=O)CC[N+](=O)[O-] TS14376 [0,0,0,0,0,0|4,0,0]=4 15 B13R1.45 c1ccc(cc1)C(=O)NCC(=O)O TS32821 [0,0,0,0,0,0|3,0,1]=4 16 B13R1.45 c1ccc(cc1)C(=O)NCC(=O)[O-] TS38064 [0,0,0,0,0,0|3,0,1]=4 17 B12R1.30 C=CCNC(=O)c1ccccc1 TS42307 [1,0,0,0,0,0|1,0,2]=4 18 B12R1.30 C=CCOC(=O)c1ccncc1 TS11684 [1,0,0,0,0,0|1,0,2]=4 19 B12R1.30 CCCCC(=O)c1ccccc1 TS11583 [1,0,0,0,0,0|1,0,0]=2 20 B12R1.30 CCCCC(=O)c1ccccc1 TS42489 [1,0,0,0,0,0|1,0,0]=2 21 B12R1.30 CCCCC(c1ccccc1)O TS42804 [1,0,0,0,0,0|1,0,2]=4 22 B12R1.30 CCCCN(c1ccccc1)N TS11936 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.30 CCCOC(=O)c1ccccc1 TS11882 [1,0,0,0,0,0|0,0,0]=1 24 B12R1.30 CCSCC(=O)c1ccccc1 TS14653 [1,0,0,0,0,0|2,0,0]=3 25 B12R1.30 c1ccc(cc1)C(=O)CCCBr TS16775 [1,0,0,0,0,0|2,0,0]=3 26 B12R1.30 c1ccc(cc1)C(=O)OCCBr TS55166 [1,0,0,0,0,0|1,0,0]=2 27 B12R1.30 c1ccc(cc1)C(=O)OCCCl TS15372 [1,0,0,0,0,0|1,0,0]=2 28 B12R1.30 c1ccc(cc1)C(=O)OCCI TS31073 [1,0,0,0,0,0|1,0,0]=2 29 B12R1.30 c1ccc(cc1)C(=O)SCCN TS22303 [1,0,0,0,0,0|1,1,0]=3 30 B12R1.252 CC(CCCc1ccccc1)F TS12271 [1,0,0,0,0,0|2,0,1]=4 31 B12R1.252 C[C@@H](COCc1ccccc1)O TS43107 [1,0,0,0,0,0|1,0,1]=3 32 B12R1.252 C[C@H](COCc1ccccc1)O TS43112 [1,0,0,0,0,0|1,0,1]=3 33 B14R1.160 CC(C)COC(=O)c1ccccc1N TS17697 [0,1,0,0,0,0|0,0,0]=1 34 B14R1.160 CC(C)COC(=O)c1ccccc1O TS17864 [0,1,0,0,0,0|0,0,0]=1 35 B14R1.163 CC(CCC(=O)c1ccccc1)OC TS17522 [0,1,0,0,0,0|1,0,0]=2 36 B14R1.163 COC(=O)CCC(=O)c1ccccc1 TS51464 [0,1,0,0,0,0|2,0,1]=4 37 B14R1.163 COC(=O)CNC(=O)c1ccccc1 TS17645 [0,1,0,0,0,0|2,0,1]=4 38 B14R1.415 CC(C(=O)C)NC(=O)c1ccccc1 TS17290 [0,1,0,0,0,0|2,0,1]=4 39 B14R1.415 CC(C(=O)O)OC(=O)c1ccccc1 TS17796 [0,1,0,0,0,0|2,0,1]=4 40 B14R1.417 CC(C)OC(=O)C(=O)c1ccccc1 TS51461 [0,1,0,0,0,0|2,0,0]=3 41 B14R1.540 CC(C)CC=C(C=O)c1ccccc1 TS50781 [0,1,0,0,0,0|1,0,0]=2 42 B14R1.678 CC(=O)CCC(=O)c1ccc(cc1)Cl TS43909 [0,1,0,0,0,0|2,0,1]=4 43 B14R1.678 CC(C)COC(=O)c1ccc(cc1)N TS51666 [0,1,0,0,0,0|0,0,0]=1 44 B14R1.678 CC(C)COC(=O)c1ccc(cc1)O TS51840 [0,1,0,0,0,0|0,0,0]=1 45 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)Cl TS27704 [0,1,0,0,0,0|2,0,0]=3 46 B14R1.813 CC(CNS(=O)(=O)c1ccccc1)O TS44704 [0,1,0,0,0,0|3,0,0]=4 47 B14R1.3098 CC(C)(C)OOC(=O)c1ccccc1 TS17861 [0,1,0,0,0,0|1,0,0]=2 48 B14R2.68 c1ccc(cc1)C2OCC(CO2)O TS29488 [0,0,0,1,0,0|1,0,2]=4 49 B14R2.403 CC1(COC(=N1)c2ccccc2)C TS45977 [0,0,0,1,0,0|1,0,0]=2 50 B14R2.403 CC1(COC(=N1)c2cccnc2)C TS46131 [0,0,0,1,0,0|2,0,0]=3 51 B14R2.29285 CC1(CCC(=O)c2c1cccc2)C TS45816 [0,0,0,1,0,0|1,0,0]=2 52 B12R1.54 CC(C)COC(=O)c1ccco1 TS12522 [0,0,0,0,1,0|1,0,0]=2 53 B12R1.54 CN(C)CCC(=O)c1cccs1 TS49684 [0,0,0,0,1,0|3,0,0]=4 54 B12R1.107 CC(=NN(C)C)c1ccccc1 TS11603 [0,0,0,0,1,0|3,0,0]=4 55 B12R1.107 CC(=O)CC(=O)c1ccccc1 TS42435 [0,0,0,0,1,0|1,0,1]=3 56 B12R1.107 CC(=O)CC(=O)c1ccccn1 TS42571 [0,0,0,0,1,0|2,0,1]=4 57 B12R1.107 CC(C)CC(c1ccccc1)N TS42635 [0,0,0,0,1,0|1,0,1]=3 58 B12R1.107 CC(C)N=C(C)c1ccccc1 TS42351 [0,0,0,0,1,0|2,0,0]=3 59 B12R1.107 CC(C)OC(=O)c1ccccc1 TS11876 [0,0,0,0,1,0|0,0,0]=1 60 B12R1.107 CC(C)OC(=O)c1cccnc1 TS42894 [0,0,0,0,1,0|1,0,0]=2 61 B12R1.107 CN(C)C[C@H](c1ccccc1)O TS42950 [0,0,0,0,1,0|1,0,2]=4 62 B12R1.107 C[C@@H](c1ccccc1)NC(C)C TS37829 [0,0,0,0,1,0|2,0,1]=4 63 B12R1.107 C[C@H](c1ccccc1)NC(C)C TS37827 [0,0,0,0,1,0|2,0,1]=4 64 B12R1.107 C[S+](C)CC(=O)c1ccccc1 TS29651 [0,0,0,0,1,0|1,0,0]=2 65 B12R1.107 C[S+](C)CC(=O)c1ccccc1 TS30492 [0,0,0,0,1,0|1,0,0]=2 66 B12R1.107 c1ccc(cc1)C(=O)C[N+](=O)[O-] TS11991 [0,0,0,0,1,0|3,0,0]=4 67 B14R1.420 CC(=CCOC(=O)c1ccccc1)C TS17115 [0,0,0,0,0,1|0,0,1]=2 68 B14R1.420 CC(C)CCOC(=O)c1ccccc1 TS17509 [0,0,0,0,0,1|0,0,0]=1 69 B14R1.420 CN(C)CCOC(=O)c1ccccc1 TS17689 [0,0,0,0,0,1|1,0,0]=2 70 B14R1.420 c1ccc(cc1)C(=O)NOCC(=O)O TS18032 [0,0,0,0,0,1|2,0,1]=4 71 B14R1.423 CC(C)COC(=O)Cc1ccccc1 TS51504 [0,0,0,0,0,1|0,0,0]=1 72 B14R1.423 CC(CNC(=S)Nc1ccccc1)O TS43863 [0,0,0,0,0,1|2,1,0]=4 73 B11R1.16 C=COC(=O)c1ccccc1 TS07417 [2,0,0,0,0,0|0,0,2]=4 74 B11R1.16 CC=CC(=O)c1ccccc1 TS07230 [2,0,0,0,0,0|0,0,2]=4 75 B11R1.16 CCC=C(C)c1ccccc1 TS07266 [2,0,0,0,0,0|1,0,1]=4 76 B11R1.16 CCCC(=C)c1ccccc1 TS40460 [2,0,0,0,0,0|1,0,0]=3 77 B11R1.16 CCCC(=O)c1ccccc1 TS40658 [2,0,0,0,0,0|0,0,0]=2 78 B11R1.16 CCCC(=O)c1ccccn1 TS07574 [2,0,0,0,0,0|1,0,0]=3 79 B11R1.16 CCCC(C)c1ccccc1 TS40687 [2,0,0,0,0,0|1,0,1]=4 80 B11R1.16 CCCC(c1ccccc1)N TS08991 [2,0,0,0,0,0|1,0,1]=4 81 B11R1.16 CCCC(c1ccccc1)O TS40897 [2,0,0,0,0,0|0,0,2]=4 82 B11R1.16 CCC[C@@H](c1ccccc1)N TS07598 [2,0,0,0,0,0|1,0,1]=4 83 B11R1.16 CCC[C@@H](c1ccccc1)O TS40898 [2,0,0,0,0,0|0,0,2]=4 84 B11R1.16 CCC[C@H](c1ccccc1)N TS07603 [2,0,0,0,0,0|1,0,1]=4 85 B11R1.16 CCC[C@H](c1ccccc1)O TS40914 [2,0,0,0,0,0|0,0,2]=4 86 B11R1.16 CCNC(=O)c1ccccc1 TS07570 [2,0,0,0,0,0|1,0,0]=3 87 B11R1.16 CCNC(=O)c1cccnc1 TS40872 [2,0,0,0,0,0|2,0,0]=4 88 B11R1.16 CCOC(=N)c1ccccc1 TS39808 [2,0,0,0,0,0|1,0,0]=3 89 B11R1.16 CCOC(=O)c1ccccc1 TS40849 [2,0,0,0,0,0|0,0,0]=2 90 B11R1.16 CCOC(=O)c1ccccn1 TS08499 [2,0,0,0,0,0|1,0,0]=3 91 B11R1.16 CCOC(=O)c1cccnc1 TS41007 [2,0,0,0,0,0|1,0,0]=3 92 B11R1.16 CCOC(=O)c1ccncc1 TS01460 [2,0,0,0,0,0|1,0,0]=3 93 B11R1.16 CCOC(=O)c1ccncn1 TS55949 [2,0,0,0,0,0|2,0,0]=4 94 B11R1.16 CCOC(=O)c1cnccn1 TS41125 [2,0,0,0,0,0|2,0,0]=4 95 B11R1.16 CNCC(=O)c1ccccc1 TS15529 [2,0,0,0,0,0|1,0,0]=3 96 B11R1.16 COCC(=O)c1ccccc1 TS09863 [2,0,0,0,0,0|1,0,0]=3 97 B11R1.16 c1ccc(cc1)C(=O)CC#N TS39724 [2,0,0,0,0,0|1,0,1]=4 98 B11R1.16 c1ccc(cc1)C(=O)CCCl TS12618 [2,0,0,0,0,0|1,0,0]=3 99 B11R1.16 c1ccc(cc1)C(=O)NCO TS41014 [2,0,0,0,0,0|2,0,0]=4 100 B11R1.16 c1ccc(cc1)C(=O)OCCl TS12930 [2,0,0,0,0,0|1,0,0]=3 101 B11R1.16 c1ccc(cc1)C(=O)SCO TS44889 [2,0,0,0,0,0|1,1,0]=4 102 B11R1.16 c1ccc(cc1)S(=O)CCCl TS16096 [2,0,0,0,0,0|2,0,0]=4 103 B11R1.28 CCCC#Cc1ccccc1 TS07004 [2,0,0,0,0,0|1,0,1]=4 104 B11R1.28 CCCC=Cc1ccccc1 TS07261 [2,0,0,0,0,0|1,0,0]=3 105 B11R1.28 CCCCCc1ccccc1 TS07508 [2,0,0,0,0,0|1,0,1]=4 106 B11R1.28 CCCCNc1ccccc1 TS07616 [2,0,0,0,0,0|2,0,0]=4 107 B11R1.28 CCCCOc1ccccc1 TS40903 [2,0,0,0,0,0|2,0,0]=4 108 B11R1.28 CCCNCc1ccccc1 TS40768 [2,0,0,0,0,0|1,0,1]=4 109 B11R1.28 c1ccc(cc1)COCCBr TS01375 [2,0,0,0,0,0|1,0,1]=4 110 B11R1.28 c1ccc(cc1)COCCCl TS45252 [2,0,0,0,0,0|1,0,1]=4 111 B11R1.28 c1ccc(cc1)COCCN TS50637 [2,0,0,0,0,0|1,0,1]=4 112 B11R1.28 c1ccc(cc1)COCCO TS59944 [2,0,0,0,0,0|1,0,1]=4 113 B13R1.11 CCC(C)OC(=O)c1ccccc1 TS14249 [1,1,0,0,0,0|0,0,0]=2 114 B13R1.17 CCCCC(=O)c1ccc(cc1)Br TS57511 [1,1,0,0,0,0|1,0,0]=3 115 B13R1.17 CCCCC(=O)c1ccc(cc1)C TS13895 [1,1,0,0,0,0|1,0,0]=3 116 B13R1.17 CCCCC(=O)c1ccc(cc1)Cl TS18384 [1,1,0,0,0,0|1,0,0]=3 117 B13R1.17 CCCCC(=O)c1ccc(cc1)F TS14626 [1,1,0,0,0,0|1,0,0]=3 118 B13R1.17 CCCCC(=O)c1ccc(cc1)O TS47561 [1,1,0,0,0,0|1,0,0]=3 119 B13R1.17 CCCOC(=O)c1ccc(cc1)N TS47727 [1,1,0,0,0,0|0,0,0]=2 120 B13R1.17 CCCOC(=O)c1ccc(cc1)O TS14591 [1,1,0,0,0,0|0,0,0]=2 121 B13R1.17 CCCOC(=O)c1ccc(cc1)O TS38227 [1,1,0,0,0,0|0,0,0]=2 122 B13R1.17 CCCOC(=O)c1ccc(cc1)O TS49461 [1,1,0,0,0,0|0,0,0]=2 123 B13R1.17 Cc1ccc(cc1)C(=O)CCCCl TS53777 [1,1,0,0,0,0|2,0,0]=4 124 B13R1.17 c1cc(ccc1C(=O)CCCCl)Cl TS49217 [1,1,0,0,0,0|2,0,0]=4 125 B13R1.17 c1cc(ccc1C(=O)CCCCl)F TS09655 [1,1,0,0,0,0|2,0,0]=4 126 B13R1.17 c1cc(ccc1C(=O)CCCCl)O TS39749 [1,1,0,0,0,0|2,0,0]=4 127 B13R1.17 c1cc(ccc1C(=O)NCCBr)F TS62251 [1,1,0,0,0,0|2,0,0]=4 128 B13R1.17 c1cc(ccc1C(=O)NCCCl)F TS38159 [1,1,0,0,0,0|2,0,0]=4 129 B13R1.17 c1cc(ccc1C(=O)NCCN)Cl TS25698 [1,1,0,0,0,0|2,0,0]=4 130 B13R1.17 c1cc(ccc1C(=O)NCCO)Br TS61951 [1,1,0,0,0,0|2,0,0]=4 131 B13R1.17 c1cc(ccc1C(=O)NCCO)N TS47933 [1,1,0,0,0,0|2,0,0]=4 132 B13R1.17 c1cc(ccc1C(=O)OCCO)O TS14935 [1,1,0,0,0,0|1,0,0]=3 133 B13R1.24 CCCCCC(=O)c1ccccc1 TS46154 [1,1,0,0,0,0|1,0,0]=3 134 B13R1.24 CCCCOC(=O)c1ccccc1 TS47566 [1,1,0,0,0,0|0,0,0]=2 135 B13R1.24 CCCCOC(=O)c1ccccn1 TS14411 [1,1,0,0,0,0|1,0,0]=3 136 B13R1.24 CCCCOC(=O)c1cccnc1 TS14389 [1,1,0,0,0,0|1,0,0]=3 137 B13R1.24 CCCCOC(=O)c1ccncc1 TS14388 [1,1,0,0,0,0|1,0,0]=3 138 B13R1.24 CCCCSC(=O)c1ccccc1 TS17936 [1,1,0,0,0,0|0,1,0]=3 139 B13R1.24 CNCCCC(=O)c1cccnc1 TS28159 [1,1,0,0,0,0|2,0,0]=4 140 B13R1.47 CCNC(C)C(=O)c1ccccc1 TS21580 [1,1,0,0,0,0|2,0,0]=4 141 B13R1.47 CCOC(=O)C(=O)c1ccccc1 TS14174 [1,1,0,0,0,0|2,0,0]=4 142 B13R1.47 c1ccc(cc1)C(=O)C(CCCl)Cl TS49216 [1,1,0,0,0,0|2,0,0]=4 143 B13R1.674 C=CCOC(=O)c1ccccc1N TS46283 [1,1,0,0,0,0|0,0,2]=4 144 B13R1.674 C=CCOC(=O)c1ccccc1O TS14176 [1,1,0,0,0,0|0,0,2]=4 145 B13R1.674 CCCCC(=O)c1ccccc1O TS47573 [1,1,0,0,0,0|1,0,0]=3 146 B13R1.674 CCCNC(=O)c1ccccc1N TS47588 [1,1,0,0,0,0|1,0,0]=3 147 B13R1.674 CCCOC(=O)c1ccccc1O TS14609 [1,1,0,0,0,0|0,0,0]=2 148 B13R1.674 c1ccc(c(c1)C(=O)NCCO)O TS14765 [1,1,0,0,0,0|2,0,0]=4 149 B13R1.674 c1ccc(c(c1)C(=O)OCCO)O TS48222 [1,1,0,0,0,0|1,0,0]=3 150 B13R1.348 CC(C)CC(=O)Cc1ccccc1 TS13901 [1,1,0,0,0,0|1,0,1]=4 151 B13R1.348 CC(C)CC(=O)Nc1ccccc1 TS14060 [1,1,0,0,0,0|2,0,0]=4 152 B13R1.348 CC(C)CC(=O)Nc1ccccc1 TS14072 [1,1,0,0,0,0|2,0,0]=4 153 B13R1.348 CC(C)CC(Cc1ccccc1)O TS14271 [1,1,0,0,0,0|1,0,1]=4 154 B13R1.351 CC(C)C(=O)OCc1ccccc1 TS47553 [1,1,0,0,0,0|0,0,2]=4 155 B13R1.351 CC(C)C(=O)O[SiH2]c1ccccc1 TS51905 [1,1,0,0,0,0|0,1,1]=4 156 B13R1.351 CC(C)C(C#Cc1ccccc1)O TS45818 [1,1,0,0,0,0|1,0,1]=4 157 B13R1.513 CC(C)CCOc1ccc(cc1)N TS21950 [1,1,0,0,0,0|2,0,0]=4 158 B13R1.718 CC(CO)COCc1ccccc1 TS47950 [1,1,0,0,0,0|0,0,1]=3 159 B13R1.718 CC[C@H](COCc1ccccc1)N TS14450 [1,1,0,0,0,0|1,0,1]=4 160 B13R1.718 CC[C@H](COCc1ccccc1)O TS14645 [1,1,0,0,0,0|1,0,1]=4 161 B13R1.718 c1ccc(cc1)COCC(CCl)O TS38009 [1,1,0,0,0,0|1,0,1]=4 162 B13R1.718 c1ccc(cc1)COCC(CN)O TS14812 [1,1,0,0,0,0|1,0,1]=4 163 B13R1.718 c1ccc(cc1)COC[C@H](CO)N TS22298 [1,1,0,0,0,0|1,0,1]=4 164 B13R1.718 c1ccc(cc1)COC[C@H](CO)O TS48265 [1,1,0,0,0,0|1,0,1]=4 165 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Br TS01982 [0,1,0,0,1,0|1,0,1]=4 166 B13R1.132 CC(C)NC(=O)c1ccc(cn1)Br TS26973 [0,1,0,0,1,0|2,0,0]=4 167 B13R1.132 CC(C)OC(=O)c1ccc(cc1)N TS14434 [0,1,0,0,1,0|0,0,0]=2 168 B13R1.132 CC(C)OC(=O)c1ccc(cc1)O TS47897 [0,1,0,0,1,0|0,0,0]=2 169 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)C TS16658 [0,1,0,0,1,0|1,0,1]=4 170 B13R1.147 CC(C)NC(=O)c1cc(ccn1)Cl TS54138 [0,1,0,0,1,0|2,0,0]=4 171 B13R1.152 CC(C(=O)c1ccccc1)N(C)C TS44415 [0,1,0,0,1,0|1,0,0]=3 172 B13R1.201 CC(=O)CC(=O)c1ccccc1O TS14172 [0,1,0,0,1,0|1,0,1]=4 173 B13R1.201 CC(C)NC(=O)c1ccccc1Br TS26793 [0,1,0,0,1,0|1,0,0]=3 174 B13R1.201 CC(C)NC(=O)c1ccccc1N TS47592 [0,1,0,0,1,0|1,0,0]=3 175 B13R1.201 CC(C)NC(=O)c1ccccc1O TS47735 [0,1,0,0,1,0|1,0,0]=3 176 B13R1.201 CC(C)OC(=O)c1ccccc1Br TS26968 [0,1,0,0,1,0|0,0,0]=2 177 B13R1.201 CC(C)OC(=O)c1ccccc1N TS14421 [0,1,0,0,1,0|0,0,0]=2 178 B13R1.352 CC(C)(C)CC(=O)c1ccccn1 TS14062 [0,1,0,0,1,0|1,0,0]=3 179 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 TS14068 [0,1,0,0,1,0|1,0,0]=3 180 B13R1.352 CS(=O)(=O)CC(=O)c1ccccc1 TS54037 [0,1,0,0,1,0|2,0,0]=4 181 B13R1.352 C[Si](C)(C)OC(=C)c1ccccc1 TS17560 [0,1,0,0,1,0|1,1,0]=4 182 B13R1.352 c1ccc(cc1)C(=O)CC(F)(F)F TS15915 [0,1,0,0,1,0|2,0,0]=4 183 B15R1.882 CC(C)CCOC(=O)c1ccc(cc1)O TS43476 [0,1,0,0,0,1|0,0,0]=2 184 B15R1.959 CC(CCOC(=O)c1ccccc1)OC TS43478 [0,1,0,0,0,1|0,0,0]=2 185 B15R1.8019 CC(C)CCOC(=O)c1ccccc1O TS20579 [0,1,0,0,0,1|0,0,0]=2 186 B15R1.9094 C[N+](C)(C)CCOC(=O)c1ccccc1 TS57923 [0,1,0,0,0,1|1,0,0]=3 187 B15R1.9094 C[N+](C)(C)CCOC(=O)c1ccccc1 TS63950 [0,1,0,0,0,1|1,0,0]=3 188 B15R1.9094 C[N+](C)(C)CCSC(=O)c1ccccc1 TS79062 [0,1,0,0,0,1|1,1,0]=4 189 B15R1.3675 CC(C)C(=O)CC(=O)Nc1ccccc1 TS59520 [0,1,0,0,0,1|1,0,1]=4 190 B15R1.889 CC(C)NCC(=O)c1ccc(c(c1)O)O TS43628 [0,2,0,0,0,0|2,0,0]=4 191 B15R1.8420 CC(C)COC(=O)c1cc(ccc1N)Br TS74189 [0,2,0,0,0,0|0,0,0]=2 192 B15R1.8420 CC(C)COC(=O)c1cc(ccc1N)I TS77037 [0,2,0,0,0,0|0,0,0]=2 193 B15R1.8420 CC(C)COC(=O)c1cc(ccc1O)Br TS33463 [0,2,0,0,0,0|0,0,0]=2 194 B15R1.8420 CC(C)COC(=O)c1cc(ccc1O)I TS61533 [0,2,0,0,0,0|0,0,0]=2 195 B15R1.89 CCCC(C)COC(=O)c1ccccc1 TS20217 [0,2,0,0,0,0|0,0,0]=2 196 B15R1.132 c1cc(ccc1C(=O)OCC(CO)O)N TS43980 [0,2,0,0,0,0|1,0,0]=3 197 B15R1.652 CCN(CC)CCC(=O)c1ccccc1 TS38861 [0,2,0,0,0,0|2,0,0]=4 198 B15R1.881 CC(C)C(=O)CC(=O)c1ccc(cc1)F TS43457 [0,2,0,0,0,0|1,0,1]=4 199 B15R1.5392 CC(C)(C)C(=O)CC(=O)c1ccccc1 TS38636 [0,2,0,0,0,0|1,0,1]=4 200 B15R1.892 B(c1ccc(cc1)C)(O)OCC(C)(C)C TS38527 [0,2,0,0,0,0|1,0,1]=4 201 B15R1.903 Cc1ccc(cc1)S(=O)(=O)OCC(C)C TS52697 [0,2,0,0,0,0|1,0,0]=3 202 B15R1.903 Cc1ccc(cc1)S(=O)(=O)OC[C@@H](C)O TS24906 [0,2,0,0,0,0|2,0,0]=4 203 B15R1.903 Cc1ccc(cc1)S(=O)(=O)OC[C@H](C)O TS24909 [0,2,0,0,0,0|2,0,0]=4 204 B13R2.3 c1ccc(cc1)C2=CCCCC2 TS41965 [1,0,0,1,0,0|2,0,0]=4 205 B13R2.10 CC1COC(O1)c2ccccc2 TS42733 [1,0,0,1,0,0|0,0,2]=4 206 B13R2.371 CC1CCC(=O)c2c1cccc2 TS42188 [1,0,0,1,0,0|1,0,0]=3 207 B13R2.371 CC1CNC(=O)c2c1cccc2 TS42306 [1,0,0,1,0,0|1,0,0]=3 208 B13R2.5252 c1ccc2c(c1)C(=O)CCCN2 TS46765 [1,0,0,1,0,0|2,0,0]=4 209 B13R2.5252 c1ccc2c(c1)C(=O)CCCO2 TS11540 [1,0,0,1,0,0|2,0,0]=4 210 B13R2.5252 c1ccc2c(c1)C(=O)OCCO2 TS11814 [1,0,0,1,0,0|1,0,0]=3 211 B13R2.5252 c1ccc2c(c1)CCCCC2=O TS32760 [1,0,0,1,0,0|1,0,0]=3 212 B13R2.5252 c1ccc2c(c1)CCCNC2=O TS59579 [1,0,0,1,0,0|1,0,0]=3 213 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 TS01683 [1,0,0,1,0,0|1,0,1]=4 214 B13R2.2382 c1ccc(cc1)COC[C@H]2CO2 TS59666 [1,0,0,1,0,0|1,0,1]=4 215 B13R2.3122 CC1(CNCc2c1cccc2)C TS09560 [1,0,0,1,0,0|1,0,1]=4 216 B13R2.328 CC1=Nc2ccccc2C(=O)C1 TS11136 [0,0,0,1,1,0|1,0,1]=4 217 B13R2.328 Cc1cc2ccccc2c(=O)o1 TS42131 [0,0,0,1,1,0|0,0,2]=4 218 B13R2.328 Cc1nc2ccccc2c(=O)o1 TS00093 [0,0,0,1,1,0|1,0,1]=4 219 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O TS11500 [0,0,0,1,1,0|1,0,1]=4 220 B13R2.12159 B1(c2ccccc2C(O1)(C)C)O TS11467 [0,0,0,1,1,0|1,0,1]=4 221 B13R2.12159 CC1(CC(=O)c2c1cccc2)C TS65729 [0,0,0,1,1,0|0,0,0]=2 222 B13R2.12159 CC1(CC(c2c1cccc2)O)C TS11585 [0,0,0,1,1,0|0,0,2]=4 223 B13R2.12159 CC1(c2ccccc2C(=O)N1)C TS92750 [0,0,0,1,1,0|1,0,0]=3 224 B13R2.12159 CC1=CC(c2c1cccc2)(C)C TS41957 [0,0,0,1,1,0|1,0,1]=4 225 B13R2.12159 c1ccc2c(c1)C(=O)OC2(Cl)Cl TS38368 [0,0,0,1,1,0|2,0,0]=4 226 B15R2.612 c1ccc(cc1)C(=O)OC2CC(=O)N2 TS17279 [0,0,0,1,0,1|1,0,1]=4 227 B15R2.7532 CC1(COC(=N1)Cc2ccccc2)C TS50951 [0,0,0,1,0,1|1,0,0]=3 228 B15R2.7474 Cc1ccncc1C2=NC(CO2)(C)C TS51143 [0,1,0,1,0,0|2,0,0]=4 229 B15R2.24965 CC(C)N1c2ccccc2C(=O)C1=O TS16180 [0,1,0,1,0,0|2,0,0]=4 230 B15R2.467 B1(OCC(CO1)(C)C)c2ccccc2 TS16290 [0,1,0,1,0,0|1,0,1]=4 231 B15R2.39201 CC(C)n1cc(c2c1cccc2)C=O TS15824 [0,1,0,1,0,0|2,0,0]=4 232 B15R2.18934 CC1(COC(=N1)c2ccc(cc2)Br)C TS28569 [0,1,0,1,0,0|1,0,0]=3 233 B11R1.29 CCCOC(=O)c1ccco1 TS10415 [1,0,0,0,1,0|1,0,0]=3 234 B11R1.91 CC(=C)COc1ccccc1 TS07455 [1,0,0,0,1,0|0,0,2]=4 235 B11R1.91 CC(=O)COc1ccccc1 TS40853 [1,0,0,0,1,0|1,0,1]=4 236 B11R1.91 CC(C)CCc1ccccc1 TS40689 [1,0,0,0,1,0|0,0,1]=3 237 B11R1.91 CC(C)N=Cc1ccccc1 TS40563 [1,0,0,0,1,0|1,0,0]=3 238 B11R1.91 CC(C)NCc1ccccc1 TS33065 [1,0,0,0,1,0|1,0,1]=4 239 B11R1.91 CC(CCc1ccccc1)N TS40782 [1,0,0,0,1,0|1,0,1]=4 240 B11R1.91 CC(CCc1ccccc1)O TS09764 [1,0,0,0,1,0|1,0,1]=4 241 B11R1.91 CC(COc1ccccc1)Cl TS45253 [1,0,0,0,1,0|1,0,0]=3 242 B11R1.91 CC(COc1ccccc1)N TS41032 [1,0,0,0,1,0|1,0,0]=3 243 B11R1.91 CN(C)CCc1ccccc1 TS01931 [1,0,0,0,1,0|1,0,1]=4 244 B11R1.91 CN(C)N=Cc1ccccc1 TS40662 [1,0,0,0,1,0|2,0,0]=4 245 B11R1.91 C[C@@H](CCc1ccccc1)N TS40777 [1,0,0,0,1,0|1,0,1]=4 246 B11R1.91 C[C@H](CCc1ccccc1)N TS22961 [1,0,0,0,1,0|1,0,1]=4 247 B11R1.91 C[SiH](C)CCc1ccccc1 TS42818 [1,0,0,0,1,0|0,1,1]=4 248 B11R1.36 CC(=O)C(=O)c1ccccc1 TS00506 [0,0,0,0,2,0|1,0,1]=4 249 B11R1.36 CC(C(=O)c1ccccc1)Br TS21451 [0,0,0,0,2,0|1,0,0]=3 250 B11R1.36 CC(C(=O)c1ccccc1)Cl TS00953 [0,0,0,0,2,0|1,0,0]=3 251 B11R1.36 CC(C)C(=O)c1ccccc1 TS07468 [0,0,0,0,2,0|0,0,0]=2 252 B11R1.36 CC(C)C(=O)c1ccccn1 TS07567 [0,0,0,0,2,0|1,0,0]=3 253 B11R1.36 CC(C)C(C)c1ccccc1 TS40688 [0,0,0,0,2,0|1,0,1]=4 254 B11R1.36 CC(C)C(c1ccccc1)N TS40783 [0,0,0,0,2,0|1,0,1]=4 255 B11R1.36 CC(C)C(c1ccccc1)O TS40912 [0,0,0,0,2,0|0,0,2]=4 256 B11R1.36 CC(C)[C@@H](c1ccccc1)O TS09919 [0,0,0,0,2,0|0,0,2]=4 257 B11R1.36 CC(C)[C@H](c1ccccc1)O TS09912 [0,0,0,0,2,0|0,0,2]=4 258 B11R1.36 CN(C)C(=O)c1ccccc1 TS40744 [0,0,0,0,2,0|1,0,0]=3 259 B11R1.36 CN(C)C(=O)c1cccnc1 TS09883 [0,0,0,0,2,0|2,0,0]=4 260 B11R1.36 c1ccc(cc1)C(=O)C(Cl)Cl TS50848 [0,0,0,0,2,0|2,0,0]=4 261 B11R1.36 c1ccc(cc1)C(=O)C(F)F TS10655 [0,0,0,0,2,0|2,0,0]=4 262 B13R1.44 C=CCOC(=O)Cc1ccccc1 TS13862 [1,0,0,0,0,1|0,0,2]=4 263 B13R1.44 CCCCC(=O)Cc1ccccc1 TS13902 [1,0,0,0,0,1|1,0,0]=3 264 B13R1.44 CCCCC(=O)Oc1ccccc1 TS14226 [1,0,0,0,0,1|1,0,0]=3 265 B13R1.44 CCCNC(=S)Nc1ccccc1 TS17943 [1,0,0,0,0,1|1,1,0]=4 266 B13R1.44 CCCOC(=O)Cc1ccccc1 TS14219 [1,0,0,0,0,1|0,0,0]=2 267 B13R1.44 c1ccc(cc1)CC(=O)NCCO TS14396 [1,0,0,0,0,1|2,0,0]=4 268 B13R1.337 CC(C)CCOCc1ccccc1 TS14277 [1,0,0,0,0,1|0,0,1]=3 269 B13R1.342 CC(C)CCOC(=O)c1ccco1 TS48261 [0,0,0,0,1,1|1,0,0]=3 270 B15R1.497 CC(C)OCCOC(=O)c1ccccc1 TS43467 [0,0,0,0,0,2|0,0,0]=2 271 B15R1.1081 CC(C)CCOC(=O)Cc1ccccc1 TS20224 [0,0,0,0,0,2|0,0,0]=2 272 B15R1.5919 CC(C)COC(=O)C=Cc1ccccc1 TS19789 [0,0,0,0,0,2|0,0,0]=2 273 B15R1.5919 CC(C)COC(=O)COc1ccccc1 TS43473 [0,0,0,0,0,2|0,0,0]=2