0 B14R1.158 CCCCNC(=S)Nc1ccccc1 TS43535 [0,0,0,0,0,0|2,1,0]=3 1 B14R1.158 CCCCOC(=O)Cc1ccccc1 TS17513 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.158 CCCCSC(=S)Nc1ccccc1 TS24048 [0,0,0,0,0,0|1,2,0]=3 3 B14R1.158 c1ccc(cc1)NC(=O)CNCCO TS51860 [0,0,0,0,0,0|4,0,0]=4 4 B14R1.158 c1ccc(cc1)NC(=S)NCCCO TS43862 [0,0,0,0,0,0|3,1,0]=4 5 B13R1.28 CCCCCC#Cc1ccccc1 TS13228 [1,0,0,0,0,0|1,0,2]=4 6 B13R1.28 CCCCCCCc1ccccc1 TS13920 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.28 CCNCCNCc1ccccc1 TS47619 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.28 c1ccc(cc1)CCCCCCBr TS57518 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.28 c1ccc(cc1)CCCCCCO TS47608 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.28 c1ccc(cc1)CCNCCCCl TS25506 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.28 c1ccc(cc1)CCNCCCO TS14457 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.28 c1ccc(cc1)CNCCCCO TS14464 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.28 c1ccc(cc1)COCCCCBr TS39817 [1,0,0,0,0,0|3,0,0]=4 14 B13R1.44 C=CCOC(=O)Cc1ccccc1 TS13862 [1,0,0,0,0,0|0,0,2]=3 15 B13R1.44 CCCCC(=O)Cc1ccccc1 TS13902 [1,0,0,0,0,0|0,0,0]=1 16 B13R1.44 CCCCC(=O)Oc1ccccc1 TS14226 [1,0,0,0,0,0|1,0,0]=2 17 B13R1.44 CCCNC(=S)Nc1ccccc1 TS17943 [1,0,0,0,0,0|2,1,0]=4 18 B13R1.44 CCCOC(=O)Cc1ccccc1 TS14219 [1,0,0,0,0,0|0,0,0]=1 19 B13R1.44 CNCCN(C)Cc1ccccc1 TS47616 [1,0,0,0,0,0|3,0,0]=4 20 B13R1.44 c1ccc(cc1)CC(=O)NCCO TS14396 [1,0,0,0,0,0|2,0,0]=3 21 B15R1.83 CCCCCOC(=O)Cc1ccccc1 TS39047 [0,1,0,0,0,0|0,0,0]=1 22 B15R1.83 CCCCOCC(=O)Nc1ccccc1 TS20400 [0,1,0,0,0,0|1,0,0]=2 23 B15R1.93 CCCCOC(=O)C(c1ccccc1)O TS64939 [0,1,0,0,0,0|0,0,0]=1 24 B15R1.809 CCOC(=O)CC(=O)Cc1ccccc1 TS16746 [0,1,0,0,0,0|2,0,1]=4 25 B15R1.1035 CCCCCC(=Cc1ccccc1)C=O TS19448 [0,1,0,0,0,0|1,0,1]=3 26 B15R1.1035 CCCCCC(=Cc1ccccc1)CO TS19829 [0,1,0,0,0,0|1,0,2]=4 27 B15R1.1035 CCCCCN(Cc1cccnc1)N=O TS43326 [0,1,0,0,0,0|3,0,0]=4 28 B15R1.1081 CC(C)CCOC(=O)Cc1ccccc1 TS20224 [0,1,0,0,0,0|0,0,0]=1 29 B15R2.15 c1ccc(cc1)CC2OCC(O2)CO TS51832 [0,0,0,1,0,0|1,0,2]=4 30 B15R2.54 c1ccc(cc1)C2CCCCCC2=O TS50784 [0,0,0,1,0,0|1,0,0]=2 31 B15R2.1435 CCCCn1c(cc2c1cccc2)C TS15850 [0,0,0,1,0,0|2,0,1]=4 32 B15R2.1435 c1ccc2c(c1)[nH]c(=O)n2CCCCl TS43916 [0,0,0,1,0,0|3,0,0]=4 33 B15R2.7956 C[N+]1(CCCCC1)Cc2ccccc2 TS52246 [0,0,0,1,0,0|3,0,0]=4 34 B13R1.24 CCCCCC(=O)c1ccccc1 TS46154 [0,0,0,0,1,0|1,0,0]=2 35 B13R1.24 CCCCNC(C)c1ccccc1 TS14096 [0,0,0,0,1,0|2,0,1]=4 36 B13R1.24 CCCCOC(=O)c1ccccc1 TS47566 [0,0,0,0,1,0|0,0,0]=1 37 B13R1.24 CCCCOC(=O)c1ccccn1 TS14411 [0,0,0,0,1,0|1,0,0]=2 38 B13R1.24 CCCCOC(=O)c1cccnc1 TS14389 [0,0,0,0,1,0|1,0,0]=2 39 B13R1.24 CCCCOC(=O)c1ccncc1 TS14388 [0,0,0,0,1,0|1,0,0]=2 40 B13R1.24 CCCCSC(=O)c1ccccc1 TS17936 [0,0,0,0,1,0|0,1,0]=2 41 B13R1.24 CNCCCC(=O)c1cccnc1 TS28159 [0,0,0,0,1,0|3,0,0]=4 42 B15R1.78 c1ccc(cc1)COC(=O)CCCCN TS80335 [0,0,0,0,0,1|2,0,0]=3 43 B15R1.78 c1ccc(cc1)COC(=O)NCCC=O TS02608 [0,0,0,0,0,1|2,0,1]=4 44 B15R1.78 c1ccc(cc1)COC(=O)NCCCO TS43642 [0,0,0,0,0,1|2,0,0]=3 45 B15R1.78 c1ccc(cc1)COC(=O)NCCON TS43809 [0,0,0,0,0,1|3,0,0]=4 46 B12R1.8 CCCCC#Cc1ccccc1 TS41955 [2,0,0,0,0,0|0,0,2]=4 47 B12R1.8 CCCCCC[n+]1ccccc1 TS37828 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.8 CCCCCCc1ccccc1 TS11621 [2,0,0,0,0,0|0,0,1]=3 49 B12R1.8 CCCCCCc1ccccn1 TS42629 [2,0,0,0,0,0|1,0,1]=4 50 B12R1.8 CCCCCCc1cccnc1 TS11745 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.8 CCCCCNc1ccccc1 TS42630 [2,0,0,0,0,0|1,0,1]=4 52 B12R1.8 CCCCN=Cc1ccccc1 TS42355 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.8 CCCCOCc1ccccc1 TS42802 [2,0,0,0,0,0|0,0,0]=2 54 B12R1.8 CCCOCCc1ccccn1 TS42951 [2,0,0,0,0,0|1,0,1]=4 55 B12R1.8 CNCCNCc1ccccc1 TS11928 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.8 c1ccc(cc1)CCCCCBr TS24328 [2,0,0,0,0,0|1,0,1]=4 57 B12R1.8 c1ccc(cc1)CCCCCN TS11750 [2,0,0,0,0,0|1,0,1]=4 58 B12R1.8 c1ccc(cc1)CNCCCN TS11942 [2,0,0,0,0,0|2,0,0]=4 59 B12R1.8 c1ccc(cc1)CNCCCO TS56364 [2,0,0,0,0,0|2,0,0]=4 60 B12R1.8 c1ccc(cc1)COCCC#N TS42314 [2,0,0,0,0,0|1,0,1]=4 61 B12R1.8 c1ccc(cc1)COCCC=O TS42734 [2,0,0,0,0,0|1,0,1]=4 62 B12R1.8 c1ccc(cc1)COCCCBr TS01376 [2,0,0,0,0,0|1,0,0]=3 63 B12R1.8 c1ccc(cc1)COCCCCl TS48686 [2,0,0,0,0,0|1,0,0]=3 64 B12R1.8 c1ccc(cc1)COCCCO TS12246 [2,0,0,0,0,0|1,0,0]=3 65 B12R1.32 C=COC(=O)Cc1ccccc1 TS11548 [2,0,0,0,0,0|0,0,2]=4 66 B12R1.32 CCCC(=O)Cc1ccccc1 TS11593 [2,0,0,0,0,0|0,0,0]=2 67 B12R1.32 CCCC(C)Cc1ccccc1 TS11628 [2,0,0,0,0,0|1,0,1]=4 68 B12R1.32 CCNC(=O)Nc1ccccc1 TS42766 [2,0,0,0,0,0|2,0,0]=4 69 B12R1.32 CCOC(=O)C[n+]1ccccc1 TS19281 [2,0,0,0,0,0|1,0,0]=3 70 B12R1.32 CCOC(=O)C[n+]1ccccc1 TS27413 [2,0,0,0,0,0|1,0,0]=3 71 B12R1.32 CCOC(=O)Cc1ccccc1 TS64894 [2,0,0,0,0,0|0,0,0]=2 72 B12R1.32 CCOC(=O)Cc1ccccn1 TS08500 [2,0,0,0,0,0|1,0,0]=3 73 B12R1.32 CCOC(=O)Cc1cccnc1 TS55929 [2,0,0,0,0,0|1,0,0]=3 74 B12R1.32 CCOC(=O)Cc1ccncc1 TS01476 [2,0,0,0,0,0|1,0,0]=3 75 B12R1.32 CCOC(=O)Cc1ncccn1 TS86697 [2,0,0,0,0,0|2,0,0]=4 76 B12R1.32 CCOC(=O)Nc1ccccc1 TS42904 [2,0,0,0,0,0|1,0,0]=3 77 B12R1.32 CNCC(=O)Cc1ccccc1 TS37811 [2,0,0,0,0,0|1,0,0]=3 78 B12R1.32 c1ccc(cc1)CC(=O)CC#N TS11139 [2,0,0,0,0,0|1,0,1]=4 79 B12R1.32 c1ccc(cc1)NC(=O)CCCl TS48485 [2,0,0,0,0,0|2,0,0]=4 80 B12R1.32 c1ccc(cc1)OC(=O)CCCl TS08976 [2,0,0,0,0,0|2,0,0]=4 81 B14R1.14 CCCCCCCc1ccc(cc1)Br TS67710 [1,1,0,0,0,0|1,0,1]=4 82 B14R1.14 CCCCCCCc1ccc(cc1)I TS59115 [1,1,0,0,0,0|1,0,1]=4 83 B14R1.14 CCCCCCCc1ccc(cc1)N TS17356 [1,1,0,0,0,0|1,0,1]=4 84 B14R1.14 CCCCCCCc1ccc(cc1)O TS51539 [1,1,0,0,0,0|1,0,1]=4 85 B14R1.123 CCCCCCCCc1ccccc1 TS51193 [1,1,0,0,0,0|1,0,1]=4 86 B14R1.123 CCCNCCNCc1ccccc1 TS51547 [1,1,0,0,0,0|2,0,0]=4 87 B14R1.123 c1ccc(cc1)CCCCCCCBr TS67709 [1,1,0,0,0,0|1,0,1]=4 88 B14R1.123 c1ccc(cc1)CCCCCCCO TS51538 [1,1,0,0,0,0|1,0,1]=4 89 B14R1.123 c1ccc(cc1)COCCCCCBr TS67982 [1,1,0,0,0,0|2,0,0]=4 90 B14R1.123 c1ccc(cc1)COCCCCCO TS17918 [1,1,0,0,0,0|2,0,0]=4 91 B14R1.520 CCCC(=O)OCCc1ccccc1 TS17507 [1,1,0,0,0,0|0,0,2]=4 92 B14R1.882 CCCCCCCc1ccccc1O TS51534 [1,1,0,0,0,0|1,0,1]=4 93 B14R1.33 Cc1ccc(cc1)OC(=O)CCCCl TS21411 [1,1,0,0,0,0|2,0,0]=4 94 B14R1.423 CC(C)COC(=O)Cc1ccccc1 TS51504 [1,1,0,0,0,0|0,0,0]=2 95 B14R1.467 CCCCC(=Cc1ccccc1)C=O TS39619 [1,1,0,0,0,0|0,0,1]=3 96 B14R1.743 COC(=O)CC(=O)Cc1ccccc1 TS22889 [1,1,0,0,0,0|1,0,1]=4 97 B14R1.19 CCCCCC(=O)c1ccc(cc1)O TS17517 [0,1,0,0,1,0|1,0,0]=3 98 B14R1.19 CCCCOC(=O)c1ccc(cc1)N TS51664 [0,1,0,0,1,0|0,0,0]=2 99 B14R1.19 CCCCOC(=O)c1ccc(cc1)O TS49065 [0,1,0,0,1,0|0,0,0]=2 100 B14R1.19 CCCCOC(=O)c1ccc(cc1)O TS51843 [0,1,0,0,1,0|0,0,0]=2 101 B14R1.46 CCCCNS(=O)(=O)c1ccccc1 TS44379 [0,1,0,0,1,0|2,0,0]=4 102 B14R1.46 CCCCOS(=O)(=O)c1ccccc1 TS44545 [0,1,0,0,1,0|1,0,0]=3 103 B14R1.163 CC(CCC(=O)c1ccccc1)OC TS17522 [0,1,0,0,1,0|2,0,0]=4 104 B14R1.420 CC(=CCOC(=O)c1ccccc1)C TS17115 [0,1,0,0,1,0|0,0,2]=4 105 B14R1.420 CC(C)CCOC(=O)c1ccccc1 TS17509 [0,1,0,0,1,0|0,0,0]=2 106 B14R1.420 CN(C)CCOC(=O)c1ccccc1 TS17689 [0,1,0,0,1,0|1,0,0]=3 107 B14R1.1035 CCCCOC(=O)c1ccccc1N TS51672 [0,1,0,0,1,0|0,0,0]=2 108 B14R1.1035 CCCCOC(=O)c1ccccc1O TS51824 [0,1,0,0,1,0|0,0,0]=2 109 B14R1.1035 COCCNC(=O)c1ccccc1N TS17887 [0,1,0,0,1,0|2,0,0]=4 110 B16R1.608 CC(CCNC(=O)OCc1ccccc1)N TS50168 [0,1,0,0,0,1|1,0,0]=3 111 B16R1.608 C[C@@H](CCNC(=O)OCc1ccccc1)N TS23509 [0,1,0,0,0,1|1,0,0]=3 112 B16R1.688 CCCCCOC(=O)C=Cc1ccccc1 TS49462 [0,1,0,0,0,1|0,0,1]=3 113 B16R1.688 CCCCOCC(COc1ccccc1)O TS50509 [0,1,0,0,0,1|0,0,2]=4 114 B16R1.688 c1ccc(cc1)COC(=O)NCCCCN TS50173 [0,1,0,0,0,1|1,0,0]=3 115 B16R1.688 c1ccc(cc1)COC(=O)NCCCCN TS68208 [0,1,0,0,0,1|1,0,0]=3 116 B16R1.688 c1ccc(cc1)COC(=O)NCCCCO TS23692 [0,1,0,0,0,1|1,0,0]=3 117 B16R1.693 CCC=CCCOC(=O)Cc1ccccc1 TS49466 [0,2,0,0,0,0|0,0,0]=2 118 B16R1.693 CCCC=CCOC(=O)Cc1ccccc1 TS49471 [0,2,0,0,0,0|0,0,0]=2 119 B16R1.693 CCCCCCOC(=O)Cc1ccccc1 TS23153 [0,2,0,0,0,0|0,0,0]=2 120 B16R1.934 CCOC(=O)CNC(=O)Cc1ccccc1 TS49965 [0,2,0,0,0,0|1,0,1]=4 121 B16R1.934 CCOC(=O)COC(=O)Cc1ccccc1 TS50103 [0,2,0,0,0,0|0,0,1]=3 122 B16R1.1407 CCCCCCC(=Cc1ccccc1)C=O TS22114 [0,2,0,0,0,0|1,0,1]=4 123 B14R2.3 CCCCn1ccc2c1cccc2 TS00423 [1,0,0,1,0,0|1,0,1]=4 124 B14R2.3 CCCCn1cnc2c1cccc2 TS13550 [1,0,0,1,0,0|2,0,0]=4 125 B14R2.6 c1ccc(cc1)OC2CCCCO2 TS14234 [1,0,0,1,0,0|1,0,1]=4 126 B14R2.101 c1ccc(cc1)CNC2CCCC2 TS46010 [1,0,0,1,0,0|2,0,0]=4 127 B14R2.67 CCCCC1=Cc2ccccc2C1 TS13229 [1,0,0,1,0,0|1,0,0]=3 128 B14R2.67 CCCCc1[nH]c2ccccc2n1 TS13547 [1,0,0,1,0,0|2,0,0]=4 129 B14R2.67 CCCCc1cc2ccccc2o1 TS45820 [1,0,0,1,0,0|0,0,2]=4 130 B14R2.510 CCC=C1c2ccccc2C(=O)O1 TS13492 [0,0,0,1,1,0|0,0,2]=4 131 B16R2.2238 c1ccc(cc1)COC(=O)[C@@H]2CCCN2 TS26755 [0,0,0,1,0,1|2,0,0]=4 132 B16R2.2238 c1ccc(cc1)COC(=O)[C@H]2CCCN2 TS26753 [0,0,0,1,0,1|2,0,0]=4 133 B16R2.2441 CCCCOc1ccc2ccccc2c1 TS32909 [0,0,0,1,0,1|1,0,1]=4 134 B16R2.2446 c1ccc(cc1)CN2[C@@H](CCC2=O)CO TS20002 [0,0,0,1,0,1|2,0,0]=4 135 B16R2.2446 c1ccc(cc1)CN2[C@H](CCC2=O)CO TS38835 [0,0,0,1,0,1|2,0,0]=4 136 B16R2.44148 c1ccc(cc1)COC(=O)NC2CNC2 TS57785 [0,0,0,1,0,1|2,0,0]=4 137 B16R2.88 c1ccc(cc1)CC(=O)C2CCCCC2 TS38313 [0,1,0,1,0,0|1,0,0]=3 138 B12R1.30 CCCCC(=O)c1ccccc1 TS11583 [1,0,0,0,1,0|0,0,0]=2 139 B12R1.30 CCCCC(=O)c1ccccc1 TS42489 [1,0,0,0,1,0|0,0,0]=2 140 B12R1.30 CCCCC(c1ccccc1)O TS42804 [1,0,0,0,1,0|0,0,2]=4 141 B12R1.30 CCCCN(c1ccccc1)N TS11936 [1,0,0,0,1,0|2,0,0]=4 142 B12R1.30 CCCOC(=O)c1ccccc1 TS11882 [1,0,0,0,1,0|0,0,0]=2 143 B12R1.30 CCSCC(=O)c1ccccc1 TS14653 [1,0,0,0,1,0|1,0,0]=3 144 B12R1.30 c1ccc(cc1)C(=O)CCCBr TS16775 [1,0,0,0,1,0|1,0,0]=3 145 B12R1.30 c1ccc(cc1)C(=O)OCCBr TS55166 [1,0,0,0,1,0|1,0,0]=3 146 B12R1.30 c1ccc(cc1)C(=O)OCCCl TS15372 [1,0,0,0,1,0|1,0,0]=3 147 B12R1.30 c1ccc(cc1)C(=O)OCCI TS31073 [1,0,0,0,1,0|1,0,0]=3 148 B12R1.30 c1ccc(cc1)C(=O)SCCN TS22303 [1,0,0,0,1,0|1,1,0]=4 149 B12R1.35 CCCCCC(=O)c1ccco1 TS12265 [0,0,0,0,2,0|2,0,0]=4 150 B12R1.35 CCCCOC(=O)c1ccco1 TS12524 [0,0,0,0,2,0|1,0,0]=3 151 B16R1.1694 CCCCCC(=O)OCCc1ccccc1 TS23149 [0,0,0,0,0,2|1,0,0]=3