0 B10R1.66 CC(=O)C=Cc1ccco1 TS70735 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.66 CC(=O)OCc1ccco1 TS37347 [0,0,0,0,0,0|1,1,1]=3 2 B10R1.66 CC(=S)OCc1ccco1 TS10696 [0,0,0,0,0,0|1,1,1]=3 3 B10R1.66 CC(C)SCc1ccco1 TS41673 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.66 CN(C)N=Cc1ccco1 TS37185 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.66 c1cc(oc1)CCC(=O)O TS37339 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.66 c1cc(oc1)CNC(=S)N TS10705 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.12 CCCCc1[nH]ccn1 TS36021 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.12 CCCCc1ccco1 TS35998 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.12 CCCCc1cccs1 TS37432 [1,0,0,0,0,0|1,1,0]=3 10 B9R1.12 CCCCc1ccsc1 TS37433 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.12 CCSCc1ccco1 TS37624 [1,0,0,0,0,0|0,0,0]=1 12 B9R1.12 CNCCc1cccs1 TS06619 [1,0,0,0,0,0|2,1,0]=4 13 B9R1.12 CSSCc1ccco1 TS42220 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.12 c1cc(oc1)CN=C=S TS37302 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.12 c1cc(oc1)COC=S TS37580 [1,0,0,0,0,0|1,1,1]=4 16 B11R1.25 CCC(=O)OCc1ccco1 TS41356 [0,1,0,0,0,0|1,1,1]=4 17 B11R1.25 CCC(=S)OCc1ccco1 TS12832 [0,1,0,0,0,0|1,1,1]=4 18 B11R1.25 c1cc(oc1)CNC(=O)CCl TS13409 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.75 Cc1ccc(o1)CCC(=O)C TS41148 [0,1,0,0,0,0|2,0,1]=4 20 B9R1.13 CC(=O)Cc1ccco1 TS32606 [0,0,0,0,1,0|1,0,1]=3 21 B9R1.13 CC(C)Cc1nccs1 TS06620 [0,0,0,0,1,0|1,1,0]=3 22 B9R1.13 CC(Cc1cccs1)O TS37625 [0,0,0,0,1,0|1,1,0]=3 23 B9R1.13 CN(C)C=C1C=CC=C1 TS04871 [0,0,0,0,1,0|2,0,1]=4 24 B9R1.13 CN(C)Cc1cccs1 TS06616 [0,0,0,0,1,0|1,1,0]=3 25 B9R1.13 C[C@@H](Cc1c[nH]cn1)N TS35022 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.13 C[C@H](Cc1c[nH]cn1)N TS35021 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.13 c1cc(oc1)CC(=O)O TS56166 [0,0,0,0,1,0|2,0,1]=4 28 B11R1.91 CC(C)CCc1ccccc1 TS40689 [0,0,0,0,0,1|2,0,0]=3 29 B11R1.91 CC(C)N=Cc1ccccc1 TS40563 [0,0,0,0,0,1|2,0,1]=4 30 B11R1.91 CC(C)NCc1ccccc1 TS33065 [0,0,0,0,0,1|2,0,0]=3 31 B11R1.91 CC(CCc1ccccc1)N TS40782 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.91 CC(CCc1ccccc1)O TS09764 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.91 CN(C)CCc1ccccc1 TS01931 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.91 CN(C)CCc1ccccn1 TS09949 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.91 CN(C)CCc1ccncc1 TS09942 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.91 C[C@@H](CCc1ccccc1)N TS40777 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.91 C[C@H](CCc1ccccc1)N TS22961 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.91 C[SiH](C)CCc1ccccc1 TS42818 [0,0,0,0,0,1|2,1,0]=4 39 B11R1.172 CC(=O)CSCc1ccco1 TS12834 [0,0,0,0,0,1|1,0,1]=3 40 B8R0.4 CCCCC=CC=CC TS05047 [1,0,1,0,0,0|2,0,0]=4 41 B8R0.1 CCCCC(=O)OC=C TS05348 [1,0,1,0,0,0|2,0,0]=4 42 B8R1.8 CCCc1[nH]ccn1 TS02464 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.8 CCCc1ccco1 TS31836 [2,0,0,0,0,0|0,0,0]=2 44 B8R1.8 CCCc1cccs1 TS36171 [2,0,0,0,0,0|0,1,0]=3 45 B8R1.8 CCCc1ccsc1 TS36172 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.8 CCNc1cccs1 TS36245 [2,0,0,0,0,0|1,1,0]=4 47 B8R1.8 CNCc1ccco1 TS04251 [2,0,0,0,0,0|1,0,0]=3 48 B8R1.8 CNCc1ccco1 TS07391 [2,0,0,0,0,0|1,0,0]=3 49 B8R1.8 CNCc1cccs1 TS01562 [2,0,0,0,0,0|1,1,0]=4 50 B8R1.8 CNCc1cccs1 TS11775 [2,0,0,0,0,0|1,1,0]=4 51 B8R1.8 CNCc1ccno1 TS04292 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.8 COCc1ccco1 TS31900 [2,0,0,0,0,0|0,1,0]=3 53 B8R1.8 CSCc1ccco1 TS05367 [2,0,0,0,0,0|0,0,0]=2 54 B8R1.8 c1cc(oc1)CCO TS31915 [2,0,0,0,0,0|1,0,0]=3 55 B8R1.8 c1cc(sc1)CCBr TS51245 [2,0,0,0,0,0|1,1,0]=4 56 B8R1.8 c1cc(sc1)CCN TS46632 [2,0,0,0,0,0|1,1,0]=4 57 B8R1.8 c1cc(sc1)CCN TS65662 [2,0,0,0,0,0|1,1,0]=4 58 B8R1.8 c1cc(sc1)CCN TS93665 [2,0,0,0,0,0|1,1,0]=4 59 B8R1.8 c1cc(sc1)CCO TS65661 [2,0,0,0,0,0|1,1,0]=4 60 B8R1.8 c1coc(n1)CCN TS00111 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.11 CCCC(=O)c1ccco1 TS06270 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.11 CCCC(c1ccco1)O TS37386 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.11 CCOC(=O)c1ccco1 TS06431 [1,1,0,0,0,0|0,1,1]=4 64 B10R1.16 CCCCc1ccc(s1)C TS10505 [1,1,0,0,0,0|1,1,0]=4 65 B10R1.16 Cc1ccc(o1)CSSC TS13563 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.21 CCCCCc1cccs1 TS10504 [1,1,0,0,0,0|1,1,0]=4 67 B10R1.21 c1cc(oc1)CSCCN TS10886 [1,1,0,0,0,0|0,0,0]=2 68 B10R1.54 Cc1ccc(o1)CN(C)C TS37308 [0,1,0,0,1,0|1,0,0]=3 69 B10R1.54 Cc1csc(n1)CC(C)C TS41536 [0,1,0,0,1,0|1,1,0]=4 70 B10R1.64 Cn1cccc1CN(C)C TS37228 [0,1,0,0,1,0|2,0,0]=4 71 B12R1.21 CC(C)CCc1ccc(cc1)O TS42796 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.21 CC(C)NCc1ccc(cc1)F TS12408 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.27 CC(CO)NCc1ccccc1 TS12060 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.27 C[C@@H](CO)NCc1ccccc1 TS42935 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.43 CC(C)C(=O)Cc1ccccc1 TS11588 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.107 CC(C)CC(c1ccccc1)N TS42635 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.107 C[C@@H](c1ccccc1)NC(C)C TS37829 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.107 C[C@H](c1ccccc1)NC(C)C TS37827 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.891 CC(C)(C)NCc1ccccc1 TS42633 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.891 CC(C)(CCc1ccccc1)O TS42782 [0,1,0,0,0,1|2,0,0]=4 81 B12R1.54 CC(C)COC(=O)c1ccco1 TS12522 [0,1,0,0,0,1|0,1,1]=4 82 B10R1.18 CC(C)Sc1ccccc1 TS41201 [0,0,1,1,0,0|1,0,1]=4 83 B10R1.61 CC(C)c1ccccc1O TS06094 [0,0,1,1,0,0|1,0,1]=4 84 B10R1.113 CC(C)c1cccc(c1)O TS06076 [0,0,1,1,0,0|1,0,1]=4 85 B10R2.7 C1CCC2=C(C1)CC=C2 TS04833 [1,0,0,1,0,0|2,0,0]=4 86 B10R2.7 c1c[nH]c2c1CCCC2 TS70812 [1,0,0,1,0,0|2,0,0]=4 87 B10R2.7 c1cc2n(c1)CCNC2 TS87629 [1,0,0,1,0,0|2,0,0]=4 88 B10R2.7 c1csc2c1CCNC2 TS70815 [1,0,0,1,0,0|1,1,0]=4 89 B10R2.7 c1csc2c1CCNC2 TS87392 [1,0,0,1,0,0|1,1,0]=4 90 B12R2.24 CC1Cc2ccccc2CN1 TS40571 [0,0,0,1,0,1|2,0,0]=4 91 B12R2.2057 c1ccc(cc1)CNC2CC2 TS07374 [0,0,0,1,0,1|2,0,0]=4 92 B12R2.2403 CC1(c2ccccc2CN1)C TS87925 [0,0,0,1,0,1|2,0,0]=4 93 B12R2.2383 c1cc(oc1)COCC2CO2 TS10413 [0,0,0,1,0,1|1,1,0]=4 94 B12R2.2399 c1cc(oc1)C=CC2(CC2)N TS07568 [0,1,0,1,0,0|1,0,1]=4 95 B8R1.7 CC(=O)c1ccco1 TS04188 [0,0,0,0,2,0|1,0,1]=4 96 B8R1.7 CC(C)C1=CC=CC1 TS04141 [0,0,0,0,2,0|1,0,0]=3 97 B8R1.7 CC(C)C1C=CC=C1 TS31786 [0,0,0,0,2,0|1,0,1]=4 98 B8R1.7 CC(C)c1[nH]ccn1 TS04207 [0,0,0,0,2,0|2,0,0]=4 99 B8R1.7 CC(C)c1cc[nH]n1 TS04205 [0,0,0,0,2,0|2,0,0]=4 100 B8R1.7 CC(C)n1cccn1 TS04211 [0,0,0,0,2,0|2,0,0]=4 101 B8R1.7 CC(c1ccco1)N TS04253 [0,0,0,0,2,0|1,0,0]=3 102 B8R1.7 CC(c1ccco1)O TS31898 [0,0,0,0,2,0|1,0,0]=3 103 B8R1.7 CN(C)c1cccs1 TS36249 [0,0,0,0,2,0|1,1,0]=4 104 B8R1.7 C[C@@H](c1cccs1)O TS05368 [0,0,0,0,2,0|1,1,0]=4 105 B8R1.7 C[C@H](c1ccco1)O TS31904 [0,0,0,0,2,0|1,0,0]=3 106 B8R1.7 C[C@H](c1cccs1)O TS08060 [0,0,0,0,2,0|1,1,0]=4 107 B10R1.17 CCCCc1ccccc1 TS36870 [1,0,0,0,0,1|2,0,0]=4 108 B10R1.17 CCCCc1ccccn1 TS06002 [1,0,0,0,0,1|2,0,0]=4 109 B10R1.17 CCCCc1cccnc1 TS06012 [1,0,0,0,0,1|2,0,0]=4 110 B10R1.17 CCCCc1ccncc1 TS06014 [1,0,0,0,0,1|2,0,0]=4 111 B10R1.17 CCNCc1ccccc1 TS06015 [1,0,0,0,0,1|2,0,0]=4 112 B10R1.17 CCNCc1ccncc1 TS37037 [1,0,0,0,0,1|2,0,0]=4 113 B10R1.17 CCOCc1ccccc1 TS37009 [1,0,0,0,0,1|1,1,0]=4 114 B10R1.17 CCSCc1ccccc1 TS41200 [1,0,0,0,0,1|1,0,0]=3 115 B10R1.17 CSSCc1ccccc1 TS12900 [1,0,0,0,0,1|2,0,0]=4 116 B10R1.17 c1ccc(cc1)CSCBr TS22173 [1,0,0,0,0,1|2,0,0]=4 117 B10R1.17 c1ccc(cc1)CSCCl TS13275 [1,0,0,0,0,1|2,0,0]=4