0 B15R1.138 CCC=CCCOC(=O)c1ccccc1 TS19792 [0,0,0,0,0,0|0,0,2]=2 1 B15R1.138 CCCCCCCC(=O)c1ccccc1 TS19821 [0,0,0,0,0,0|1,0,0]=1 2 B15R1.138 CCCCCCCC(c1ccccc1)O TS39085 [0,0,0,0,0,0|1,0,2]=3 3 B15R1.138 CCCCCCOC(=O)c1cccnc1 TS20386 [0,0,0,0,0,0|1,0,0]=1 4 B15R1.138 c1ccc(cc1)C(=O)CCCNCCN TS20250 [0,0,0,0,0,0|3,0,0]=3 5 B15R1.138 c1ccc(cc1)C(=O)OCCCCCCl TS52437 [0,0,0,0,0,0|1,0,0]=1 6 B14R1.38 CCCCCCC(=O)c1ccccc1 TS51153 [1,0,0,0,0,0|0,0,0]=1 7 B14R1.38 CCCCCCC(=O)c1ccccn1 TS17349 [1,0,0,0,0,0|1,0,0]=2 8 B14R1.38 CCCCCOC(=O)c1ccccc1 TS17531 [1,0,0,0,0,0|0,0,0]=1 9 B14R1.38 CCOCCOC(=O)c1ccccc1 TS51837 [1,0,0,0,0,0|1,0,0]=2 10 B14R1.38 c1ccc(cc1)C(=O)OCCCCCl TS21410 [1,0,0,0,0,0|1,0,0]=2 11 B14R1.38 c1ccc(cc1)C(=O)OCCCCI TS74915 [1,0,0,0,0,0|1,0,0]=2 12 B14R1.123 CCCCCCC#Cc1ccccc1 TS15688 [1,0,0,0,0,0|1,0,1]=3 13 B14R1.123 CCCCCCCCc1ccccc1 TS51193 [1,0,0,0,0,0|1,0,1]=3 14 B14R1.123 CCCCCCCCc1ccncc1 TS51361 [1,0,0,0,0,0|2,0,1]=4 15 B14R1.123 CCCNCCNCc1ccccc1 TS51547 [1,0,0,0,0,0|2,0,1]=4 16 B14R1.123 c1ccc(cc1)CCCCCCCBr TS67709 [1,0,0,0,0,0|2,0,1]=4 17 B14R1.123 c1ccc(cc1)CCCCCCCO TS51538 [1,0,0,0,0,0|2,0,1]=4 18 B14R1.123 c1ccc(cc1)COCCCCCBr TS67982 [1,0,0,0,0,0|1,0,1]=3 19 B14R1.123 c1ccc(cc1)COCCCCCO TS17918 [1,0,0,0,0,0|1,0,1]=3 20 B14R1.123 c1ccc(cc1)COCCOCCO TS18269 [1,0,0,0,0,0|2,0,1]=4 21 B14R1.123 c1ccc(cc1)OCCCCCCBr TS67980 [1,0,0,0,0,0|3,0,0]=4 22 B16R1.64 CCCCCCCCC(=O)c1ccccn1 TS22647 [0,1,0,0,0,0|2,0,0]=3 23 B16R1.64 CCCCOCCOC(=O)c1cccnc1 TS50330 [0,1,0,0,0,0|1,0,0]=2 24 B16R1.91 CCCCCCCC(=O)c1ccc(cc1)N TS22645 [0,1,0,0,0,0|1,0,0]=2 25 B16R1.91 CCCCCCCC(=O)c1ccc(cc1)O TS49824 [0,1,0,0,0,0|1,0,0]=2 26 B16R1.91 CCCCCCOC(=O)c1ccc(cc1)O TS50163 [0,1,0,0,0,0|0,0,0]=1 27 B16R1.609 CC(C)COCCOC(=O)c1ccccc1 TS23501 [0,1,0,0,0,0|1,0,0]=2 28 B16R1.609 c1ccc(cc1)C(=O)CCCCCC(=O)O TS23101 [0,1,0,0,0,0|2,0,1]=4 29 B16R1.609 c1ccc(cc1)C(=O)NCCCCC(=O)O TS49963 [0,1,0,0,0,0|2,0,1]=4 30 B16R1.7596 CCC=CCCOC(=O)c1ccccc1O TS49785 [0,1,0,0,0,0|0,0,2]=3 31 B16R1.7596 CCCC=CCOC(=O)c1ccccc1O TS49791 [0,1,0,0,0,0|0,0,2]=3 32 B16R1.7596 CCCCCCOC(=O)c1ccccc1O TS50162 [0,1,0,0,0,0|0,0,0]=1 33 B16R2.88 c1ccc(cc1)C(=O)NC2CCNCC2 TS19805 [0,0,0,1,0,0|2,0,0]=3 34 B16R2.3896 c1ccc(cc1)C(=O)C2CCCCC2=O TS19401 [0,0,0,1,0,0|2,0,1]=4 35 B16R2.5767 c1cc(cnc1)C(=O)OCC2CCCO2 TS39181 [0,0,0,1,0,0|2,0,0]=3 36 B16R2.5767 c1ccc(cc1)C(=O)CCN2CCCC2 TS38488 [0,0,0,1,0,0|2,0,0]=3 37 B16R2.5767 c1ccc(cc1)C(=O)OCC2CCCO2 TS20169 [0,0,0,1,0,0|1,0,0]=2 38 B14R1.169 CCCCCCCC(=O)c1cccs1 TS20994 [0,0,0,0,1,0|2,0,0]=3 39 B14R1.169 CCCCCCOC(=O)c1ccco1 TS18276 [0,0,0,0,1,0|1,0,0]=2 40 B16R1.693 CCC=CCCOC(=O)Cc1ccccc1 TS49466 [0,0,0,0,0,1|0,0,2]=3 41 B16R1.693 CCCC=CCOC(=O)Cc1ccccc1 TS49471 [0,0,0,0,0,1|0,0,2]=3 42 B16R1.693 CCCCCCNC(=S)Nc1ccccc1 TS56859 [0,0,0,0,0,1|1,1,0]=3 43 B16R1.693 CCCCCCOC(=O)Cc1ccccc1 TS23153 [0,0,0,0,0,1|0,0,0]=1 44 B13R1.24 CCCCCC(=O)c1ccccc1 TS46154 [2,0,0,0,0,0|0,0,0]=2 45 B13R1.24 CCCCOC(=O)c1ccccc1 TS47566 [2,0,0,0,0,0|0,0,0]=2 46 B13R1.24 CCCCOC(=O)c1ccccn1 TS14411 [2,0,0,0,0,0|1,0,0]=3 47 B13R1.24 CCCCOC(=O)c1cccnc1 TS14389 [2,0,0,0,0,0|1,0,0]=3 48 B13R1.24 CCCCOC(=O)c1ccncc1 TS14388 [2,0,0,0,0,0|1,0,0]=3 49 B13R1.24 CCCCSC(=O)c1ccccc1 TS17936 [2,0,0,0,0,0|0,1,0]=3 50 B13R1.24 CNCCCC(=O)c1cccnc1 TS28159 [2,0,0,0,0,0|2,0,0]=4 51 B13R1.28 CCCCCC#Cc1ccccc1 TS13228 [2,0,0,0,0,0|0,0,2]=4 52 B13R1.28 CCCCCCCc1ccccc1 TS13920 [2,0,0,0,0,0|0,0,1]=3 53 B13R1.28 c1ccc(cc1)CCCCCCBr TS57518 [2,0,0,0,0,0|1,0,1]=4 54 B13R1.28 c1ccc(cc1)CCCCCCO TS47608 [2,0,0,0,0,0|1,0,1]=4 55 B13R1.28 c1ccc(cc1)COCCCCBr TS39817 [2,0,0,0,0,0|1,0,1]=4 56 B13R1.28 c1ccc(cc1)OCCCCCBr TS57826 [2,0,0,0,0,0|1,0,0]=3 57 B15R1.30 CCCCCCC(=O)c1ccc(cc1)Br TS30651 [1,1,0,0,0,0|0,0,0]=2 58 B15R1.30 CCCCCCC(=O)c1ccc(cc1)O TS39046 [1,1,0,0,0,0|0,0,0]=2 59 B15R1.30 CCCCCOC(=O)c1ccc(cc1)N TS20388 [1,1,0,0,0,0|0,0,0]=2 60 B15R1.30 CCCCCOC(=O)c1ccc(cc1)O TS43486 [1,1,0,0,0,0|0,0,0]=2 61 B15R1.89 CCCC(C)COC(=O)c1ccccc1 TS20217 [1,1,0,0,0,0|0,0,0]=2 62 B15R1.89 CCOC(=O)CCC(=O)c1ccccc1 TS38992 [1,1,0,0,0,0|1,0,1]=4 63 B15R1.497 CC(C)OCCOC(=O)c1ccccc1 TS43467 [1,1,0,0,0,0|1,0,0]=3 64 B15R1.497 c1ccc(cc1)C(=O)CCCCC(=O)O TS39000 [1,1,0,0,0,0|1,0,1]=4 65 B15R1.959 CC(CCOC(=O)c1ccccc1)OC TS43478 [1,1,0,0,0,0|1,0,0]=3 66 B15R1.959 COC(=O)CCCC(=O)c1ccccc1 TS20166 [1,1,0,0,0,0|1,0,1]=4 67 B15R1.3965 CCCCCOC(=O)c1ccccc1N TS43317 [1,1,0,0,0,0|0,0,0]=2 68 B15R1.3965 CCCCCOC(=O)c1ccccc1O TS20571 [1,1,0,0,0,0|0,0,0]=2 69 B15R1.12 CCCCCCCCc1ccc(cc1)Br TS73856 [1,1,0,0,0,0|1,0,1]=4 70 B15R1.12 CCCCCCCCc1ccc(cc1)N TS38876 [1,1,0,0,0,0|1,0,1]=4 71 B15R1.12 CCCCCCCCc1ccc(cc1)O TS39087 [1,1,0,0,0,0|1,0,1]=4 72 B15R1.12 CCCCCCCOc1ccc(cc1)Br TS74104 [1,1,0,0,0,0|2,0,0]=4 73 B15R1.12 CCCCCCCOc1ccc(cc1)N TS20421 [1,1,0,0,0,0|2,0,0]=4 74 B15R1.12 CCCCCCCOc1ccc(cc1)O TS20626 [1,1,0,0,0,0|2,0,0]=4 75 B15R1.35 CCCCCCCCOc1ccccc1 TS20258 [1,1,0,0,0,0|1,0,1]=4 76 B15R1.35 CCCCCCCCOc1ccccc1 TS39079 [1,1,0,0,0,0|1,0,1]=4 77 B15R1.35 CCCCNCCNCc1ccccc1 TS20266 [1,1,0,0,0,0|1,0,1]=4 78 B15R1.35 c1ccc(cc1)CCCCCCCCBr TS73857 [1,1,0,0,0,0|1,0,1]=4 79 B15R1.35 c1ccc(cc1)CCCCCCCCCl TS23937 [1,1,0,0,0,0|1,0,1]=4 80 B15R1.35 c1ccc(cc1)CCCCCCCCO TS39084 [1,1,0,0,0,0|1,0,1]=4 81 B15R1.35 c1ccc(cc1)COCCCCCCBr TS74102 [1,1,0,0,0,0|0,0,1]=3 82 B17R1.744 CCCCCCCC(=O)Oc1ccc(cc1)C TS56528 [0,1,0,0,0,1|1,0,0]=3 83 B17R1.1292 CCCCCCCNC(=S)Nc1ccccc1 TS62906 [0,1,0,0,0,1|1,1,0]=4 84 B17R1.39 CCCCCCCOC(=O)c1ccc(cc1)O TS56823 [0,2,0,0,0,0|0,0,0]=2 85 B17R1.679 c1ccc(cc1)C(=O)NCCCCCC(=O)O TS56667 [0,2,0,0,0,0|1,0,1]=4 86 B17R1.754 CCCCCCCCCC(=O)c1ccccc1 TS53364 [0,2,0,0,0,0|1,0,0]=3 87 B17R1.754 CCCCCCCCOC(=O)c1ccccc1 TS56527 [0,2,0,0,0,0|0,0,0]=2 88 B17R1.754 CCCCCCCCOC(=O)c1cccnc1 TS56688 [0,2,0,0,0,0|1,0,0]=3 89 B17R1.1299 CCCCCC(CCC(=O)c1ccccc1)O TS56531 [0,2,0,0,0,0|1,0,0]=3 90 B17R1.1246 CCCCCCOS(=O)(=O)c1ccc(cc1)C TS28952 [0,2,0,0,0,0|1,0,0]=3 91 B17R1.9248 CCC=CCCOC(=O)c1cc(ccc1N)Br TS58800 [0,2,0,0,0,0|0,0,2]=4 92 B17R1.9248 CCC=CCCOC(=O)c1cc(ccc1N)I TS78735 [0,2,0,0,0,0|0,0,2]=4 93 B17R1.9248 CCCCCCOC(=O)c1cc(ccc1O)Br TS59028 [0,2,0,0,0,0|0,0,0]=2 94 B17R1.9248 CCCCCCOC(=O)c1cc(ccc1O)I TS78887 [0,2,0,0,0,0|0,0,0]=2 95 B15R1.1045 CCCCCCOc1ccccc1C=O TS20211 [0,0,1,1,0,0|2,0,0]=4 96 B15R2.1428 CCCC=C1c2ccccc2C(=O)O1 TS50742 [1,0,0,1,0,0|0,0,2]=4 97 B15R2.2226 c1ccc(cc1)C(=O)C2CCCCC2 TS50786 [1,0,0,1,0,0|0,0,0]=2 98 B15R2.2226 c1ccc(cc1)C(=O)C2CCNCC2 TS16222 [1,0,0,1,0,0|1,0,0]=3 99 B15R2.2226 c1ccc(cc1)C(=O)C2CCNCC2 TS70931 [1,0,0,1,0,0|1,0,0]=3 100 B15R2.2226 c1ccc(cc1)C(=O)N2CCCCC2 TS16221 [1,0,0,1,0,0|1,0,0]=3 101 B15R2.2226 c1ccc(cc1)C(=O)N2CCNCC2 TS00405 [1,0,0,1,0,0|2,0,0]=4 102 B15R2.2226 c1ccc(cc1)C(=O)N2CCOCC2 TS17296 [1,0,0,1,0,0|2,0,0]=4 103 B15R2.2226 c1ccc(cc1)C(C2CCCCC2)O TS51161 [1,0,0,1,0,0|0,0,2]=4 104 B15R2.2226 c1ccc(cc1)[C@@H](C2CCCCC2)O TS51158 [1,0,0,1,0,0|0,0,2]=4 105 B15R2.2226 c1ccnc(c1)C(=O)C2CCCCC2 TS50948 [1,0,0,1,0,0|1,0,0]=3 106 B15R2.55 c1ccc(cc1)CO[C@@H]2CCC[C@H]2N TS17353 [1,0,0,1,0,0|1,0,1]=4 107 B15R2.55 c1ccc(cc1)CO[C@H]2CCC[C@@H]2N TS17338 [1,0,0,1,0,0|1,0,1]=4 108 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 TS16240 [1,0,0,1,0,0|1,0,1]=4 109 B15R2.64 c1cc(sc1)C(=O)NC2CCCCC2 TS43680 [0,0,0,1,1,0|2,0,0]=4 110 B17R2.143 c1ccc(cc1)CC(=O)OC2CCCCC2 TS49469 [0,0,0,1,0,1|0,0,0]=2 111 B17R2.143 c1ccc(cc1)NC(=S)NC2CCCCC2 TS25628 [0,0,0,1,0,1|1,1,0]=4 112 B17R2.2569 CCCCCCCc1[nH]c2ccccc2n1 TS49154 [0,0,0,1,0,1|2,0,0]=4 113 B17R2.8341 c1ccc(cc1)CC(=O)OCC2CCCO2 TS23103 [0,0,0,1,0,1|1,0,0]=3 114 B17R2.2342 c1ccc(cc1)C(=O)CCN2CCNCC2 TS22459 [0,1,0,1,0,0|2,0,0]=4 115 B17R2.2342 c1ccc(cc1)C(=O)CCN2CCOCC2 TS02852 [0,1,0,1,0,0|2,0,0]=4 116 B17R2.2342 c1ccc(cc1)C(=O)CCN2CCOCC2 TS28844 [0,1,0,1,0,0|2,0,0]=4 117 B17R2.3426 c1ccc(cc1)C(=O)CC2CCCCC2=O TS22095 [0,1,0,1,0,0|1,0,1]=4 118 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)N TS22457 [0,1,0,1,0,0|1,0,0]=3 119 B17R2.24146 c1ccc(cc1)C(=O)N2CCCC(=O)CC2 TS33085 [0,1,0,1,0,0|1,0,1]=4 120 B17R2.209 c1ccc(cc1)C(=O)NC2CCC(=O)CC2 TS22258 [0,1,0,1,0,0|1,0,1]=4 121 B17R2.209 c1ccc(cc1)C(=O)NC2CCC(CC2)O TS49627 [0,1,0,1,0,0|1,0,0]=3 122 B17R2.3950 c1ccc(c(c1)C(=O)OCC2CCCO2)O TS50093 [0,1,0,1,0,0|1,0,0]=3 123 B13R1.48 CCCCCCC(=O)c1cccs1 TS18330 [1,0,0,0,1,0|1,0,0]=3 124 B13R1.48 CCCCCOC(=O)c1ccco1 TS14968 [1,0,0,0,1,0|1,0,0]=3 125 B17R1.1287 CCC=CCCOC(=O)C=Cc1ccccc1 TS53044 [0,0,0,0,0,2|0,0,2]=4 126 B17R1.1287 c1ccc(cc1)C=CC(=O)NCCCCCBr TS35870 [0,0,0,0,0,2|2,0,0]=4 127 B17R1.1287 c1ccc(cc1)COC(=O)NCCCCCN TS25936 [0,0,0,0,0,2|2,0,0]=4