0 B14R1.156 C=CCOC(=O)COc1ccccc1 TS17476 [0,0,0,0,0,0|1,0,3]=4 1 B14R1.156 c1ccc(cc1)COC(=O)CCCBr TS29033 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.156 c1ccc(cc1)COC(=O)CCCN TS79777 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.156 c1ccc(cc1)COC(=O)NCCO TS52005 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.42 C=COC(=O)C=Cc1ccccc1 TS13484 [1,0,0,0,0,0|0,0,2]=3 5 B13R1.42 CCCC(=O)CCc1ccccc1 TS46164 [1,0,0,0,0,0|0,0,2]=3 6 B13R1.42 CCCC(=O)OCc1ccccc1 TS14243 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.42 CCOC(=O)C#Cc1ccccc1 TS13483 [1,0,0,0,0,0|0,0,2]=3 8 B13R1.42 CCOC(=O)C=Cc1ccccc1 TS13866 [1,0,0,0,0,0|0,0,0]=1 9 B13R1.42 CCOC(=O)C=Cc1cccnc1 TS14033 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.42 CCOC(=O)C=Cc1ccncc1 TS33125 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.42 CCOC(=O)CCc1ccccc1 TS14228 [1,0,0,0,0,0|0,0,2]=3 12 B13R1.42 CCOC(=O)CNc1ccccc1 TS47750 [1,0,0,0,0,0|1,0,1]=3 13 B13R1.42 CCOC(=O)COc1ccccc1 TS47895 [1,0,0,0,0,0|1,0,1]=3 14 B13R1.42 CCOC(=O)COc1cccnc1 TS48062 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.42 CCOC(=O)CSc1ccccc1 TS18301 [1,0,0,0,0,0|1,0,1]=3 16 B13R1.42 CCOC(=O)NCc1ccccc1 TS47751 [1,0,0,0,0,0|1,0,1]=3 17 B13R1.42 CNCC(=O)OCc1ccccc1 TS21940 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.42 CNCC(=O)OCc1ccccc1 TS79080 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.42 c1ccc(cc1)C=CC(=O)N=C=S TS16206 [1,0,0,0,0,0|2,0,1]=4 20 B13R1.42 c1ccc(cc1)COC(=O)CCN TS79082 [1,0,0,0,0,0|2,0,1]=4 21 B15R1.78 c1ccc(cc1)COC(=O)CCCCN TS80335 [0,1,0,0,0,0|2,0,1]=4 22 B15R1.78 c1ccc(cc1)COC(=O)NCCCO TS43642 [0,1,0,0,0,0|2,0,1]=4 23 B15R1.5919 CC(C)COC(=O)C=Cc1ccccc1 TS19789 [0,1,0,0,0,0|0,0,0]=1 24 B15R1.5919 CC(C)COC(=O)COc1ccccc1 TS43473 [0,1,0,0,0,0|1,0,1]=3 25 B15R2.38 c1ccc(cc1)C=C2CCCCC2=O TS39647 [0,0,0,1,0,0|1,0,0]=2 26 B15R2.38 c1ccc(cc1)CC2CCCCC2=O TS50777 [0,0,0,1,0,0|1,0,2]=4 27 B15R2.352 CCCCc1cc2ccccc2cn1 TS15498 [0,0,0,1,0,0|3,0,0]=4 28 B15R2.352 CCCCc1ccc2ccccc2c1 TS15344 [0,0,0,1,0,0|2,0,0]=3 29 B15R2.352 CCCOc1ccc2ccccc2c1 TS15656 [0,0,0,1,0,0|1,0,0]=2 30 B15R2.352 c1ccc2cc(ccc2c1)CCCN TS48770 [0,0,0,1,0,0|3,0,0]=4 31 B15R2.352 c1ccc2cc(ccc2c1)OCCBr TS28151 [0,0,0,1,0,0|2,0,0]=3 32 B15R2.352 c1ccc2cc(ccc2c1)OCCO TS15986 [0,0,0,1,0,0|2,0,0]=3 33 B13R1.44 C=CCOC(=O)Cc1ccccc1 TS13862 [0,0,0,0,1,0|0,0,3]=4 34 B13R1.44 CCCCC(=O)Cc1ccccc1 TS13902 [0,0,0,0,1,0|1,0,1]=3 35 B13R1.44 CCCCC(=O)Oc1ccccc1 TS14226 [0,0,0,0,1,0|2,0,0]=3 36 B13R1.44 CCCNC(=S)Nc1ccccc1 TS17943 [0,0,0,0,1,0|2,1,0]=4 37 B13R1.44 CCCOC(=O)Cc1ccccc1 TS14219 [0,0,0,0,1,0|0,0,1]=2 38 B13R1.44 c1ccc(cc1)CC(=O)NCCO TS14396 [0,0,0,0,1,0|2,0,1]=4 39 B15R1.157 CCCCC(=O)OCCc1ccccc1 TS20218 [0,0,0,0,0,1|1,0,2]=4 40 B12R1.8 CCCCN=Cc1ccccc1 TS42355 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.27 CCC(=O)CCc1ccccc1 TS08927 [2,0,0,0,0,0|0,0,2]=4 42 B12R1.27 CCC(=O)NNc1ccccc1 TS42777 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.27 CCC(=O)OCc1ccccc1 TS42731 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.27 COC(=O)C#Cc1ccccc1 TS42134 [2,0,0,0,0,0|0,0,2]=4 45 B12R1.27 COC(=O)C=Cc1ccccc1 TS42433 [2,0,0,0,0,0|0,0,0]=2 46 B12R1.27 COC(=O)C=Cc1ccncc1 TS11686 [2,0,0,0,0,0|1,0,0]=3 47 B12R1.27 COC(=O)C=Cc1cncnc1 TS42707 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.27 COC(=O)CCc1ccccc1 TS08580 [2,0,0,0,0,0|0,0,2]=4 49 B12R1.27 COC(=O)COc1ccccc1 TS12178 [2,0,0,0,0,0|1,0,1]=4 50 B12R1.27 COC(=O)CSc1ccccc1 TS15002 [2,0,0,0,0,0|1,0,1]=4 51 B14R1.716 CCC(=O)OCC=Cc1ccccc1 TS17120 [1,1,0,0,0,0|0,0,2]=4 52 B14R1.29 CCCC(=O)OC(C)c1ccccc1 TS17524 [1,1,0,0,0,0|1,0,1]=4 53 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 TS56138 [1,1,0,0,0,0|0,0,1]=3 54 B14R1.29 CCOC(=O)CC(=O)c1ccccn1 TS64895 [1,1,0,0,0,0|1,0,1]=4 55 B14R1.29 CCOC(=O)CC(=O)c1cccnc1 TS17651 [1,1,0,0,0,0|1,0,1]=4 56 B14R1.29 CCOC(=O)CC(=O)c1ccncc1 TS17634 [1,1,0,0,0,0|1,0,1]=4 57 B14R1.29 CCOC(=O)CC(c1ccccc1)N TS51656 [1,1,0,0,0,0|0,0,2]=4 58 B14R1.29 CCOC(=O)CC(c1ccccc1)O TS51816 [1,1,0,0,0,0|0,0,2]=4 59 B14R1.29 CCOC(=O)CS(=O)c1ccccc1 TS21349 [1,1,0,0,0,0|1,0,1]=4 60 B14R1.29 CCOC(=O)C[C@@H](c1ccccc1)N TS52908 [1,1,0,0,0,0|0,0,2]=4 61 B14R1.29 CCOC(=O)C[C@@H](c1ccccc1)O TS17857 [1,1,0,0,0,0|0,0,2]=4 62 B14R1.29 CCOC(=O)C[C@H](c1ccccc1)N TS52911 [1,1,0,0,0,0|0,0,2]=4 63 B14R1.29 CCOC(=O)C[C@H](c1ccccc1)O TS17848 [1,1,0,0,0,0|0,0,2]=4 64 B14R1.29 CCOC(=O)N[C@@H](C)c1ccccc1 TS51654 [1,1,0,0,0,0|1,0,1]=4 65 B14R1.32 CCOC(=O)C=Cc1cccc(c1)N TS17311 [1,1,0,0,0,0|0,0,0]=2 66 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)Cl TS44076 [1,1,0,0,0,0|1,0,0]=3 67 B14R1.32 CCOC(=O)COc1cccc(c1)Br TS68228 [1,1,0,0,0,0|1,0,1]=4 68 B14R1.32 CCOC(=O)COc1cccc(c1)C TS17851 [1,1,0,0,0,0|1,0,1]=4 69 B14R1.32 CCOC(=O)COc1cccc(c1)Cl TS21784 [1,1,0,0,0,0|1,0,1]=4 70 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 TS17635 [1,1,0,0,0,0|1,0,0]=3 71 B14R1.60 CCOC(=O)[C@H](Cc1ccccc1)N TS24788 [1,1,0,0,0,0|0,0,2]=4 72 B14R1.502 CCCC(=O)CCc1ccc(cc1)F TS17910 [1,1,0,0,0,0|0,0,2]=4 73 B14R1.502 CCOC(=O)C#Cc1ccc(cc1)Cl TS20660 [1,1,0,0,0,0|0,0,2]=4 74 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Br TS67689 [1,1,0,0,0,0|0,0,0]=2 75 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)C TS16561 [1,1,0,0,0,0|0,0,0]=2 76 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Cl TS43907 [1,1,0,0,0,0|0,0,0]=2 77 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)F TS17829 [1,1,0,0,0,0|0,0,0]=2 78 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)N TS65214 [1,1,0,0,0,0|0,0,0]=2 79 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)O TS51463 [1,1,0,0,0,0|0,0,0]=2 80 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)Cl TS44077 [1,1,0,0,0,0|1,0,0]=3 81 B14R1.502 CCOC(=O)C=Nc1ccc(cc1)Br TS28865 [1,1,0,0,0,0|1,0,0]=3 82 B14R1.502 CCOC(=O)CCc1ccc(cc1)Br TS59770 [1,1,0,0,0,0|0,0,2]=4 83 B14R1.502 CCOC(=O)CCc1ccc(cc1)O TS17844 [1,1,0,0,0,0|0,0,2]=4 84 B14R1.502 CCOC(=O)CNc1ccc(cc1)I TS60464 [1,1,0,0,0,0|1,0,1]=4 85 B14R1.502 CCOC(=O)COc1ccc(cc1)Br TS68222 [1,1,0,0,0,0|1,0,1]=4 86 B14R1.502 CCOC(=O)COc1ccc(cc1)Cl TS21781 [1,1,0,0,0,0|1,0,1]=4 87 B14R1.502 CCOC(=O)COc1ccc(cc1)F TS18590 [1,1,0,0,0,0|1,0,1]=4 88 B14R1.502 CCOC(=O)CSc1ccc(cc1)C TS43857 [1,1,0,0,0,0|1,0,1]=4 89 B14R1.502 CCOC(=O)CSc1ccc(cc1)Cl TS24991 [1,1,0,0,0,0|1,0,1]=4 90 B14R1.502 CCOC(=O)N=Cc1ccc(cc1)Cl TS44074 [1,1,0,0,0,0|1,0,0]=3 91 B14R1.502 CCOC(=O)N=Cc1ccc(cc1)F TS18044 [1,1,0,0,0,0|1,0,0]=3 92 B14R1.598 CCOC(=O)C=Cc1cccnc1Cl TS44075 [1,1,0,0,0,0|1,0,0]=3 93 B14R1.598 CCOC(=O)CCc1ccccc1Br TS29034 [1,1,0,0,0,0|0,0,2]=4 94 B14R1.598 CCOC(=O)COc1ccccc1C TS17862 [1,1,0,0,0,0|1,0,1]=4 95 B14R1.598 CCOC(=O)COc1ccccc1Cl TS21778 [1,1,0,0,0,0|1,0,1]=4 96 B14R1.756 CCC(C(=O)OCc1ccccc1)O TS51809 [1,1,0,0,0,0|1,0,1]=4 97 B14R1.818 CC(C)CC(=O)OCc1ccccc1 TS17505 [1,1,0,0,0,0|1,0,1]=4 98 B14R1.818 CC(C)OC(=O)C=Cc1ccccc1 TS17105 [1,1,0,0,0,0|0,0,0]=2 99 B14R1.423 CC(C)COC(=O)Cc1ccccc1 TS51504 [0,1,0,0,1,0|0,0,1]=3 100 B14R1.467 CCCCC(=Cc1ccccc1)C=O TS39619 [0,1,0,0,1,0|1,0,0]=3 101 B16R1.688 CCCCCOC(=O)C=Cc1ccccc1 TS49462 [0,2,0,0,0,0|0,0,0]=2 102 B14R1.918 CCCOC(=O)c1cc(ccc1O)Br TS68227 [0,0,1,1,0,0|2,0,0]=4 103 B14R1.918 CCCOC(=O)c1cc(ccc1O)I TS75870 [0,0,1,1,0,0|2,0,0]=4 104 B14R2.3 CCCCn1ccc2c1cccc2 TS00423 [1,0,0,1,0,0|2,0,0]=4 105 B14R2.101 c1ccc(cc1)C=CC2OCCO2 TS46111 [1,0,0,1,0,0|1,0,1]=4 106 B14R2.7150 CCCc1cccc2c1cccc2 TS12875 [1,0,0,1,0,0|1,0,0]=3 107 B14R2.7150 CCNc1cccc2c1cccc2 TS13039 [1,0,0,1,0,0|2,0,0]=4 108 B14R2.7150 CCNc1cccc2c1cccc2 TS20458 [1,0,0,1,0,0|2,0,0]=4 109 B14R2.7150 CCNc1cccc2c1cccc2 TS28296 [1,0,0,1,0,0|2,0,0]=4 110 B14R2.7150 CCOc1cccc2c1cccc2 TS45486 [1,0,0,1,0,0|2,0,0]=4 111 B14R2.7150 CNCc1cccc2c1cccc2 TS45347 [1,0,0,1,0,0|2,0,0]=4 112 B14R2.7150 CNCc1cccc2c1cccc2 TS56411 [1,0,0,1,0,0|2,0,0]=4 113 B14R2.7150 c1ccc2c(c1)cccc2CCBr TS25702 [1,0,0,1,0,0|2,0,0]=4 114 B14R2.7150 c1ccc2c(c1)cccc2CCCl TS51213 [1,0,0,1,0,0|2,0,0]=4 115 B14R2.7150 c1ccc2c(c1)cccc2CCN TS45344 [1,0,0,1,0,0|2,0,0]=4 116 B14R2.7150 c1ccc2c(c1)cccc2CCO TS08152 [1,0,0,1,0,0|2,0,0]=4 117 B14R2.21 c1ccc(cc1)C2CCCC(=O)C2 TS13534 [1,0,0,1,0,0|0,0,2]=4 118 B14R2.112 CCC[n+]1ccc2ccccc2c1 TS28297 [1,0,0,1,0,0|2,0,0]=4 119 B14R2.112 CCCc1ccc2ccccc2c1 TS12865 [1,0,0,1,0,0|1,0,0]=3 120 B14R2.112 CCOc1ccc2ccccc2c1 TS45484 [1,0,0,1,0,0|1,0,0]=3 121 B14R2.112 c1ccc2c(c1)ccc(n2)CCO TS45643 [1,0,0,1,0,0|2,0,0]=4 122 B14R2.112 c1ccc2cc(ccc2c1)CCN TS13037 [1,0,0,1,0,0|2,0,0]=4 123 B14R2.112 c1ccc2cc(ccc2c1)CCO TS45488 [1,0,0,1,0,0|2,0,0]=4 124 B14R2.203 CC[n+]1c(ccc2c1cccc2)C TS58881 [1,0,0,1,0,0|2,0,0]=4 125 B14R2.598 c1ccc(cc1)C2=CC(=O)OC2=O TS45732 [1,0,0,1,0,0|1,0,1]=4 126 B14R2.67 CCCCC1=Cc2ccccc2C1 TS13229 [0,0,0,1,1,0|2,0,0]=4 127 B14R2.67 CCCCc1cc2ccccc2o1 TS45820 [0,0,0,1,1,0|1,0,1]=4 128 B14R2.277 c1ccc(cc1)C2=C(COC2=O)O TS46051 [0,0,0,1,1,0|1,0,1]=4 129 B14R2.50 c1cc(oc1)C=C2CCCCC2=O TS13845 [0,0,0,1,1,0|2,0,0]=4 130 B16R2.2441 CCCCOc1ccc2ccccc2c1 TS32909 [0,1,0,1,0,0|1,0,0]=3 131 B16R2.3896 c1ccc(cc1)C(=O)C2CCCCC2=O TS19401 [0,1,0,1,0,0|1,0,1]=4 132 B16R2.1285 CCCOc1ccc2ccc(=O)oc2c1 TS19742 [0,1,0,1,0,0|2,0,0]=4 133 B16R2.477 CC(C)COc1ccc2ccccc2c1 TS37952 [0,1,0,1,0,0|1,0,0]=3 134 B16R3.1720 c1ccc2c(c1)cc3c(n2)CCCC3 TS48464 [0,0,0,2,0,0|2,0,0]=4 135 B12R1.32 CCCC(=O)Cc1ccccc1 TS11593 [1,0,0,0,1,0|0,0,1]=3 136 B12R1.32 CCNC(=O)Nc1ccccc1 TS42766 [1,0,0,0,1,0|2,0,0]=4 137 B12R1.32 CCOC(=O)C[n+]1ccccc1 TS19281 [1,0,0,0,1,0|1,0,1]=4 138 B12R1.32 CCOC(=O)C[n+]1ccccc1 TS27413 [1,0,0,0,1,0|1,0,1]=4 139 B12R1.32 CCOC(=O)Cc1ccccc1 TS64894 [1,0,0,0,1,0|0,0,1]=3 140 B12R1.32 CCOC(=O)Cc1ccccn1 TS08500 [1,0,0,0,1,0|1,0,1]=4 141 B12R1.32 CCOC(=O)Cc1cccnc1 TS55929 [1,0,0,0,1,0|1,0,1]=4 142 B12R1.32 CCOC(=O)Cc1ccncc1 TS01476 [1,0,0,0,1,0|1,0,1]=4 143 B12R1.32 CCOC(=O)Nc1ccccc1 TS42904 [1,0,0,0,1,0|1,0,0]=3 144 B12R1.32 CNCC(=O)Cc1ccccc1 TS37811 [1,0,0,0,1,0|1,0,1]=4 145 B12R1.32 c1ccc(cc1)NC(=O)CCCl TS48485 [1,0,0,0,1,0|2,0,0]=4 146 B12R1.32 c1ccc(cc1)OC(=O)CCCl TS08976 [1,0,0,0,1,0|2,0,0]=4 147 B12R1.51 CCOC(=O)C=Cc1ccco1 TS12196 [1,0,0,0,1,0|1,0,0]=3 148 B12R1.51 CCOC(=O)C=Cc1ccoc1 TS43047 [1,0,0,0,1,0|1,0,0]=3 149 B12R1.30 CCCCC(=O)c1ccccc1 TS11583 [0,0,0,0,2,0|1,0,0]=3 150 B12R1.30 CCCCC(=O)c1ccccc1 TS42489 [0,0,0,0,2,0|1,0,0]=3 151 B12R1.30 CCCOC(=O)c1ccccc1 TS11882 [0,0,0,0,2,0|0,0,0]=2 152 B12R1.30 CCSCC(=O)c1ccccc1 TS14653 [0,0,0,0,2,0|2,0,0]=4 153 B12R1.30 c1ccc(cc1)C(=O)CCCBr TS16775 [0,0,0,0,2,0|2,0,0]=4 154 B12R1.30 c1ccc(cc1)C(=O)OCCBr TS55166 [0,0,0,0,2,0|1,0,0]=3 155 B12R1.30 c1ccc(cc1)C(=O)OCCCl TS15372 [0,0,0,0,2,0|1,0,0]=3 156 B12R1.30 c1ccc(cc1)C(=O)OCCI TS31073 [0,0,0,0,2,0|1,0,0]=3 157 B12R1.30 c1ccc(cc1)C(=O)SCCN TS22303 [0,0,0,0,2,0|1,1,0]=4 158 B16R1.1465 CCCCC(=O)OCC=Cc1ccccc1 TS49473 [0,0,0,0,0,2|1,0,0]=3