0 B10R1.66 CC(=O)C=Cc1ccco1 TS70735 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.66 CC(=O)C=Cc1cccs1 TS41166 [0,0,0,0,0,0|0,1,2]=3 2 B10R1.66 CC(=O)CCn1cccn1 TS16749 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.66 CC(=O)CCn1ccnc1 TS37201 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.66 CC(=O)CSc1cccs1 TS13242 [0,0,0,0,0,0|1,1,0]=2 5 B10R1.66 CC(=O)OCc1ccco1 TS37347 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.66 CC(=S)OCc1ccco1 TS10696 [0,0,0,0,0,0|1,1,0]=2 7 B10R1.66 CC(C)SCc1ccco1 TS41673 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.66 CN(C)N=Cc1ccco1 TS37185 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.66 c1c(nc[nH]1)CCC(=O)O TS37352 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.66 c1c[nH]cc1CCC(=O)O TS06358 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.66 c1cc([nH]c1)CCC(=O)O TS02495 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.66 c1cc(oc1)C=CC(=O)O TS06232 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.66 c1cc(oc1)C=CC(=O)O TS94913 [0,0,0,0,0,0|1,0,2]=3 14 B10R1.66 c1cc(oc1)C=C[N+](=O)[O-] TS06353 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.66 c1cc(oc1)CCC(=O)O TS37339 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.66 c1cc(oc1)CNC(=S)N TS10705 [0,0,0,0,0,0|2,1,0]=3 17 B10R1.66 c1cc(sc1)C=CC(=O)Cl TS45576 [0,0,0,0,0,0|1,1,2]=4 18 B10R1.66 c1cc(sc1)C=CC(=O)O TS41387 [0,0,0,0,0,0|1,1,2]=4 19 B10R1.66 c1cc(sc1)CCC(=O)O TS41627 [0,0,0,0,0,0|1,1,0]=2 20 B10R1.66 c1cn(cn1)CCC(=O)O TS08836 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.66 c1cnc([nH]1)CCC(=O)O TS08837 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.66 c1csc(n1)CCC(=O)O TS41784 [0,0,0,0,0,0|2,1,0]=3 23 B10R1.66 c1ncn(n1)CCC(=O)O TS37479 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.12 CCCCc1[nH]ccn1 TS36021 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.12 CCCCc1ccco1 TS35998 [1,0,0,0,0,0|0,0,1]=2 26 B9R1.12 CCCCc1cccs1 TS37432 [1,0,0,0,0,0|0,1,1]=3 27 B9R1.12 CCCCc1ccsc1 TS37433 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.12 CCSCc1ccco1 TS37624 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.12 CNCCc1c[nH]cn1 TS53960 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.12 CNCCc1cccs1 TS06619 [1,0,0,0,0,0|1,1,0]=3 31 B9R1.12 CSSCc1ccco1 TS42220 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.12 c1cc(oc1)C=CC=O TS32492 [1,0,0,0,0,0|0,0,2]=3 33 B9R1.12 c1cc(oc1)CN=C=S TS37302 [1,0,0,0,0,0|1,1,1]=4 34 B9R1.12 c1cc(oc1)COC=S TS37580 [1,0,0,0,0,0|1,1,0]=3 35 B11R1.25 C=CC(=O)OCc1ccco1 TS10140 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.25 CCC(=O)OCc1ccco1 TS41356 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.25 CCC(=S)OCc1ccco1 TS12832 [0,1,0,0,0,0|1,1,0]=3 38 B11R1.25 COC(=O)C=Cc1cccs1 TS44888 [0,1,0,0,0,0|0,1,2]=4 39 B11R1.25 COC(=O)CCc1cccs1 TS45152 [0,1,0,0,0,0|0,1,0]=2 40 B11R1.25 COC(=O)CCn1cncn1 TS10572 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.25 c1cc(oc1)CCC(=O)NN TS41373 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.25 c1cc(oc1)CNC(=O)CCl TS13409 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.25 c1cc(oc1)CNC(=S)NN TS13022 [0,1,0,0,0,0|2,1,0]=4 44 B11R1.35 c1c([nH]cn1)CC(C(=O)O)Br TS22526 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.35 c1c(nc[nH]1)C[C@@H](C(=O)N)N TS52460 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.35 c1c(nc[nH]1)C[C@@H](C(=O)O)N TS74516 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.35 c1c(nc[nH]1)C[C@@H](C(=O)O)O TS41586 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.35 c1c(nc[nH]1)C[C@H](C(=O)O)N TS10578 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.35 c1c(ncs1)CC(C(=O)O)N TS45465 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.35 c1c(ncs1)C[C@@H](C(=O)O)N TS45469 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.35 c1c(ncs1)C[C@H](C(=O)O)N TS45467 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.35 c1c[nH]cc1CC(C(=O)O)N TS10431 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.35 c1cc([nH]c1)CC(C(=O)O)N TS10421 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.35 c1cc(oc1)CC(C(=O)O)N TS41492 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.35 c1cc(oc1)C[C@@H](C(=O)O)N TS10563 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.35 c1cc(oc1)C[C@H](C(=O)O)N TS41502 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.35 c1cc(sc1)CC(C(=O)O)N TS13010 [0,1,0,0,0,0|1,1,0]=3 58 B11R1.35 c1cc(sc1)C[C@@H](C(=O)O)N TS13019 [0,1,0,0,0,0|1,1,0]=3 59 B11R1.35 c1cc(sc1)C[C@H](C(=O)O)N TS65678 [0,1,0,0,0,0|1,1,0]=3 60 B11R1.35 c1cnn(c1)C[C@@H](C(=O)O)N TS10577 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.35 c1cocc1CC(C(=O)O)N TS41505 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.35 c1cocc1C[C@H](C(=O)O)N TS10561 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.35 c1csc(n1)CC(C(=O)O)N TS13167 [0,1,0,0,0,0|2,1,0]=4 64 B11R1.35 c1cscc1CC(C(=O)O)N TS13020 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.35 c1cscc1C[C@@H](C(=O)O)N TS13012 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.35 c1cscc1C[C@H](C(=O)O)N TS13009 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.75 Cc1ccc(o1)C=CC(=O)O TS10135 [0,1,0,0,0,0|1,0,2]=4 68 B11R1.75 Cc1ccc(o1)CCC(=O)C TS41148 [0,1,0,0,0,0|0,0,0]=1 69 B11R1.75 c1cc(oc1C=CC(=O)O)I TS29989 [0,1,0,0,0,0|1,0,2]=4 70 B11R1.77 CC(=O)CC(=O)c1ccco1 TS10127 [0,1,0,0,0,0|0,0,1]=2 71 B11R1.77 c1cc([nH]c1)C(CC(=O)O)N TS41375 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.77 c1cc(oc1)C(CC(=O)O)N TS41495 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.77 c1cc(oc1)[C@@H](CC(=O)O)N TS41499 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.77 c1cc(oc1)[C@H](CC(=O)O)N TS41501 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.77 c1cc(sc1)[C@@H](CC(=O)O)N TS45324 [0,1,0,0,0,0|1,1,0]=3 76 B11R1.77 c1cc(sc1)[C@H](CC(=O)O)N TS13013 [0,1,0,0,0,0|1,1,0]=3 77 B11R1.77 c1cnc([nH]1)C(CC(=O)O)N TS10573 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.77 c1cscc1[C@H](CC(=O)O)N TS13016 [0,1,0,0,0,0|3,0,0]=4 79 B9R0.2 CC=CC=CCOC(=O)C TS37384 [0,0,1,0,0,0|2,0,0]=3 80 B9R0.48 CCOC(=O)CCC(=O)C TS60125 [0,0,1,0,0,0|1,0,2]=4 81 B11R2.845 CC(=O)C1CC2CC1C=C2 TS06095 [0,0,0,1,0,0|1,0,2]=4 82 B9R1.13 CC(=O)CC1CCC=C1 TS36006 [0,0,0,0,1,0|1,0,2]=4 83 B9R1.13 CC(=O)Cc1ccco1 TS32606 [0,0,0,0,1,0|0,0,0]=1 84 B9R1.13 CC(=O)Nc1cccs1 TS08939 [0,0,0,0,1,0|1,1,0]=3 85 B9R1.13 CC(=O)Nc1ccsc1 TS37502 [0,0,0,0,1,0|3,0,0]=4 86 B9R1.13 CC(=O)Nc1nccs1 TS37583 [0,0,0,0,1,0|2,1,0]=4 87 B9R1.13 CC(Cc1cccs1)O TS37625 [0,0,0,0,1,0|0,1,2]=4 88 B9R1.13 CN(C)Cc1cccs1 TS06616 [0,0,0,0,1,0|2,1,0]=4 89 B9R1.13 c1c(nc[nH]1)CC(=O)O TS42528 [0,0,0,0,1,0|3,0,0]=4 90 B9R1.13 c1c(nc[nH]1)CC(=O)[O-] TS40591 [0,0,0,0,1,0|3,0,0]=4 91 B9R1.13 c1c(nc[nH]1)CC(=O)[O-] TS43002 [0,0,0,0,1,0|3,0,0]=4 92 B9R1.13 c1c[nH]cc1CC(=O)O TS05070 [0,0,0,0,1,0|3,0,0]=4 93 B9R1.13 c1cc([nH]c1)CC(=O)O TS94888 [0,0,0,0,1,0|2,0,0]=3 94 B9R1.13 c1cc(oc1)CC(=O)O TS56166 [0,0,0,0,1,0|1,0,0]=2 95 B9R1.13 c1cc(sc1)CC(=N)N TS37404 [0,0,0,0,1,0|2,1,0]=4 96 B9R1.13 c1cc(sc1)CC(=O)Cl TS65658 [0,0,0,0,1,0|1,1,0]=3 97 B9R1.13 c1cc(sc1)CC(=O)N TS37498 [0,0,0,0,1,0|1,1,0]=3 98 B9R1.13 c1cc(sc1)CC(=O)O TS65656 [0,0,0,0,1,0|1,1,0]=3 99 B9R1.13 c1csc(n1)CC(=O)O TS88799 [0,0,0,0,1,0|2,1,0]=4 100 B9R1.13 c1cscc1CC(=O)Cl TS42246 [0,0,0,0,1,0|3,0,0]=4 101 B9R1.13 c1cscc1CC(=O)O TS00281 [0,0,0,0,1,0|3,0,0]=4 102 B11R1.91 CC(=C)COc1ccccc1 TS07455 [0,0,0,0,0,1|3,0,0]=4 103 B11R1.91 CC(=C)CSc1ccccc1 TS42809 [0,0,0,0,0,1|3,0,0]=4 104 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [0,0,0,0,0,1|3,0,0]=4 105 B11R1.91 CC(=O)C#Cc1ccccc1 TS39336 [0,0,0,0,0,1|1,0,2]=4 106 B11R1.91 CC(=O)C=Cc1ccccc1 TS07221 [0,0,0,0,0,1|1,0,2]=4 107 B11R1.91 CC(=O)C=Cc1ccccc1 TS93157 [0,0,0,0,0,1|1,0,2]=4 108 B11R1.91 CC(=O)CCc1ccccc1 TS40645 [0,0,0,0,0,1|1,0,0]=2 109 B11R1.91 CC(=O)COc1ccccc1 TS40853 [0,0,0,0,0,1|2,0,0]=3 110 B11R1.91 CC(=O)CSc1ccccc1 TS12279 [0,0,0,0,0,1|2,0,0]=3 111 B11R1.91 CC(=O)NCc1ccccc1 TS07571 [0,0,0,0,0,1|2,0,0]=3 112 B11R1.91 CC(=O)NCc1cccnc1 TS40869 [0,0,0,0,0,1|2,0,0]=3 113 B11R1.91 CC(=O)NNc1ccccc1 TS09877 [0,0,0,0,0,1|3,0,0]=4 114 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [0,0,0,0,0,1|2,0,0]=3 115 B11R1.91 CC(=O)OCc1ccccn1 TS41002 [0,0,0,0,0,1|2,0,0]=3 116 B11R1.91 CC(=O)OCc1ccncc1 TS40990 [0,0,0,0,0,1|2,0,0]=3 117 B11R1.91 CC(=O)O[Hg]c1ccccc1 TS64055 [0,0,0,0,0,1|3,0,0]=4 118 B11R1.91 CC(=O)O[Hg]c1ccccn1 TS78341 [0,0,0,0,0,1|3,0,0]=4 119 B11R1.91 CC(=O)SSc1ccccc1 TS74797 [0,0,0,0,0,1|3,0,0]=4 120 B11R1.91 CC(C)CCc1ccccc1 TS40689 [0,0,0,0,0,1|2,0,1]=4 121 B11R1.91 CC(CCc1ccccc1)N TS40782 [0,0,0,0,0,1|2,0,1]=4 122 B11R1.91 CC(CCc1ccccc1)O TS09764 [0,0,0,0,0,1|1,0,2]=4 123 B11R1.91 CN(C)CCc1ccccc1 TS01931 [0,0,0,0,0,1|3,0,0]=4 124 B11R1.91 CN(C)CCc1ccccn1 TS09949 [0,0,0,0,0,1|3,0,0]=4 125 B11R1.91 CN(C)CCc1ccncc1 TS09942 [0,0,0,0,0,1|3,0,0]=4 126 B11R1.91 C[C@@H](CCc1ccccc1)N TS40777 [0,0,0,0,0,1|2,0,1]=4 127 B11R1.91 C[C@H](CCc1ccccc1)N TS22961 [0,0,0,0,0,1|2,0,1]=4 128 B11R1.91 C[SiH](C)CCc1ccccc1 TS42818 [0,0,0,0,0,1|2,1,0]=4 129 B11R1.91 c1cc(cnc1)CCC(=O)O TS09416 [0,0,0,0,0,1|2,0,0]=3 130 B11R1.91 c1ccc(cc1)CCC(=O)Cl TS02876 [0,0,0,0,0,1|2,0,0]=3 131 B11R1.91 c1ccc(cc1)CCC(=O)N TS40758 [0,0,0,0,0,1|2,0,0]=3 132 B11R1.91 c1ccc(cc1)CCC(=O)O TS33063 [0,0,0,0,0,1|2,0,0]=3 133 B11R1.91 c1ccc(cc1)CCN(=O)=O TS10013 [0,0,0,0,0,1|3,0,0]=4 134 B11R1.91 c1ccc(cc1)CNC(=O)N TS40871 [0,0,0,0,0,1|3,0,0]=4 135 B11R1.91 c1ccc(cc1)COC(=O)Cl TS01383 [0,0,0,0,0,1|3,0,0]=4 136 B11R1.91 c1ccc(cc1)COC(=O)N TS01381 [0,0,0,0,0,1|3,0,0]=4 137 B11R1.91 c1ccc(cc1)NCC(=O)O TS10023 [0,0,0,0,0,1|3,0,0]=4 138 B11R1.91 c1ccc(cc1)NCC(=O)[O-] TS50941 [0,0,0,0,0,1|3,0,0]=4 139 B11R1.91 c1ccc(cc1)OCC(=O)Cl TS12910 [0,0,0,0,0,1|3,0,0]=4 140 B11R1.91 c1ccc(cc1)OCC(=O)N TS40989 [0,0,0,0,0,1|3,0,0]=4 141 B11R1.91 c1ccc(cc1)OCC(=O)O TS10139 [0,0,0,0,0,1|3,0,0]=4 142 B11R1.91 c1ccc(cc1)OCC(=O)O TS32941 [0,0,0,0,0,1|3,0,0]=4 143 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS13444 [0,0,0,0,0,1|3,0,0]=4 144 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS51409 [0,0,0,0,0,1|3,0,0]=4 145 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS63445 [0,0,0,0,0,1|3,0,0]=4 146 B11R1.91 c1ccnc(c1)CCC(=O)O TS40994 [0,0,0,0,0,1|2,0,0]=3 147 B11R1.91 c1cnc(nc1)SCC(=O)O TS45124 [0,0,0,0,0,1|3,0,0]=4 148 B11R1.91 c1cnccc1SCC(=O)Cl TS23781 [0,0,0,0,0,1|3,0,0]=4 149 B11R1.91 c1cnccc1SCC(=O)O TS46555 [0,0,0,0,0,1|3,0,0]=4 150 B11R1.172 CC(=O)CSCc1ccco1 TS12834 [0,0,0,0,0,1|0,0,0]=1 151 B11R1.172 CC(=O)NCCc1c[nH]cn1 TS10322 [0,0,0,0,0,1|2,0,0]=3 152 B11R1.172 c1cc(sc1)CCCC(=O)O TS12828 [0,0,0,0,0,1|1,1,0]=3 153 B8R0.4 CCCCC=CC=CC TS05047 [1,0,1,0,0,0|1,0,1]=4 154 B8R0.7 C=CCOCCC(=O)O TS05525 [1,0,1,0,0,0|1,0,1]=4 155 B8R0.9 CC(=O)CCC(=O)OC TS05537 [1,0,1,0,0,0|1,0,1]=4 156 B8R0.1 CCCCC(=O)OC=C TS05348 [1,0,1,0,0,0|1,0,1]=4 157 B8R1.8 CCCc1[nH]ccn1 TS02464 [2,0,0,0,0,0|2,0,0]=4 158 B8R1.8 CCCc1ccco1 TS31836 [2,0,0,0,0,0|0,0,0]=2 159 B8R1.8 CCCc1cccs1 TS36171 [2,0,0,0,0,0|0,1,0]=3 160 B8R1.8 CCCc1ccsc1 TS36172 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.8 CCNc1cccs1 TS36245 [2,0,0,0,0,0|1,1,0]=4 162 B8R1.8 CNCc1ccco1 TS04251 [2,0,0,0,0,0|1,0,0]=3 163 B8R1.8 CNCc1ccco1 TS07391 [2,0,0,0,0,0|1,0,0]=3 164 B8R1.8 CNCc1cccs1 TS01562 [2,0,0,0,0,0|1,1,0]=4 165 B8R1.8 CNCc1cccs1 TS11775 [2,0,0,0,0,0|1,1,0]=4 166 B8R1.8 CNCc1ccno1 TS04292 [2,0,0,0,0,0|2,0,0]=4 167 B8R1.8 COCc1ccco1 TS31900 [2,0,0,0,0,0|1,0,0]=3 168 B8R1.8 CSCc1ccco1 TS05367 [2,0,0,0,0,0|1,0,0]=3 169 B8R1.8 c1cc(oc1)CCO TS31915 [2,0,0,0,0,0|0,0,1]=3 170 B8R1.8 c1cc(sc1)CCBr TS51245 [2,0,0,0,0,0|1,1,0]=4 171 B8R1.8 c1cc(sc1)CCN TS46632 [2,0,0,0,0,0|1,1,0]=4 172 B8R1.8 c1cc(sc1)CCN TS65662 [2,0,0,0,0,0|1,1,0]=4 173 B8R1.8 c1cc(sc1)CCN TS93665 [2,0,0,0,0,0|1,1,0]=4 174 B8R1.8 c1cc(sc1)CCO TS65661 [2,0,0,0,0,0|0,1,1]=4 175 B8R1.8 c1coc(n1)CCN TS00111 [2,0,0,0,0,0|2,0,0]=4 176 B10R0.74 CCC(=O)OCC=CC=CC TS41399 [0,1,1,0,0,0|2,0,0]=4 177 B10R1.11 CCCC(=O)c1ccco1 TS06270 [1,1,0,0,0,0|0,0,2]=4 178 B10R1.11 CCCC(c1ccco1)O TS37386 [1,1,0,0,0,0|0,0,1]=3 179 B10R1.16 CCCCc1ccc(s1)C TS10505 [1,1,0,0,0,0|0,1,1]=4 180 B10R1.16 Cc1ccc(o1)CCC=O TS37180 [1,1,0,0,0,0|0,0,0]=2 181 B10R1.16 Cc1ccc(o1)CSSC TS13563 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.21 CCCCCc1cccs1 TS10504 [1,1,0,0,0,0|0,1,1]=4 183 B10R1.21 c1cc(oc1)CSCCN TS10886 [1,1,0,0,0,0|1,0,1]=4 184 B10R1.21 c1cc(sc1)CCN=C=O TS41284 [1,1,0,0,0,0|0,1,1]=4 185 B10R1.23 c1cc(oc1)C(=O)C(=O)N TS06348 [0,1,0,0,1,0|1,0,1]=4 186 B10R1.23 c1cc(oc1)C(=O)C(=O)O TS02176 [0,1,0,0,1,0|1,0,1]=4 187 B10R1.23 c1cc(oc1)C(C(=O)O)N TS06573 [0,1,0,0,1,0|1,0,0]=3 188 B10R1.23 c1cc(sc1)C(C(=O)O)N TS41779 [0,1,0,0,1,0|1,1,0]=4 189 B10R1.23 c1cc(sc1)[C@@H](C(=O)O)N TS41781 [0,1,0,0,1,0|1,1,0]=4 190 B10R1.23 c1cc(sc1)[C@H](C(=O)O)N TS08075 [0,1,0,0,1,0|1,1,0]=4 191 B10R1.54 CC(=O)Nc1ccc(s1)Br TS22694 [0,1,0,0,1,0|1,1,0]=4 192 B10R1.54 CC(=O)Nc1ccc(s1)Cl TS13763 [0,1,0,0,1,0|1,1,0]=4 193 B10R1.54 Cc1ccc(o1)CN(C)C TS37308 [0,1,0,0,1,0|2,0,0]=4 194 B10R1.64 Cn1cccc1CC(=O)O TS47003 [0,1,0,0,1,0|2,0,0]=4 195 B12R1.21 CC(=O)CCc1ccc(cc1)Cl TS48370 [0,1,0,0,0,1|1,0,0]=3 196 B12R1.21 CC(=O)CCc1ccc(cc1)O TS11860 [0,1,0,0,0,1|1,0,0]=3 197 B12R1.21 CC(=O)CSc1ccc(cc1)Cl TS38024 [0,1,0,0,0,1|2,0,0]=4 198 B12R1.21 CC(=O)CSc1ccc(cc1)F TS15289 [0,1,0,0,0,1|2,0,0]=4 199 B12R1.21 CC(=O)NCc1ccc(cc1)N TS11902 [0,1,0,0,0,1|2,0,0]=4 200 B12R1.21 CC(=O)OCc1ccc(cc1)Cl TS48659 [0,1,0,0,0,1|2,0,0]=4 201 B12R1.21 Cc1ccc(cc1)CCC(=O)O TS42740 [0,1,0,0,0,1|2,0,0]=4 202 B12R1.21 Cc1ccc(cc1)COC(=O)C TS11893 [0,1,0,0,0,1|2,0,0]=4 203 B12R1.21 c1cc(ccc1CCC(=O)N)O TS12027 [0,1,0,0,0,1|2,0,0]=4 204 B12R1.21 c1cc(ccc1CCC(=O)O)Br TS09422 [0,1,0,0,0,1|2,0,0]=4 205 B12R1.21 c1cc(ccc1CCC(=O)O)F TS44855 [0,1,0,0,0,1|2,0,0]=4 206 B12R1.21 c1cc(ccc1CCC(=O)O)I TS65689 [0,1,0,0,0,1|2,0,0]=4 207 B12R1.21 c1cc(ccc1CCC(=O)O)N TS09418 [0,1,0,0,0,1|2,0,0]=4 208 B12R1.21 c1cc(ccc1CCC(=O)O)O TS43042 [0,1,0,0,0,1|2,0,0]=4 209 B12R1.21 c1cc(ccc1CCC(=O)O)S TS15000 [0,1,0,0,0,1|2,0,0]=4 210 B12R1.27 CCC(=O)CCc1ccccc1 TS08927 [0,1,0,0,0,1|1,0,0]=3 211 B12R1.27 CCC(=O)OCc1ccccc1 TS42731 [0,1,0,0,0,1|2,0,0]=4 212 B12R1.27 COC(=O)CCc1ccccc1 TS08580 [0,1,0,0,0,1|1,0,0]=3 213 B12R1.27 COC(=O)CCc1ccncc1 TS12012 [0,1,0,0,0,1|1,0,0]=3 214 B12R1.27 COC(=O)COc1ccccc1 TS12178 [0,1,0,0,0,1|2,0,0]=4 215 B12R1.27 COC(=O)CSc1ccccc1 TS15002 [0,1,0,0,0,1|2,0,0]=4 216 B12R1.27 c1cc(cnc1)CCC(=O)NN TS12042 [0,1,0,0,0,1|2,0,0]=4 217 B12R1.27 c1ccc(cc1)CCC(=O)NN TS42773 [0,1,0,0,0,1|2,0,0]=4 218 B12R1.27 c1ccc(cc1)CCC(=O)NO TS42907 [0,1,0,0,0,1|2,0,0]=4 219 B12R1.27 c1ccc(cc1)CNC(=O)CBr TS24462 [0,1,0,0,0,1|2,0,0]=4 220 B12R1.27 c1ccc(cc1)CNC(=O)CCl TS48489 [0,1,0,0,0,1|2,0,0]=4 221 B12R1.27 c1ccc(cc1)COC(=O)CBr TS59636 [0,1,0,0,0,1|2,0,0]=4 222 B12R1.27 c1ccc(cc1)COC(=O)CCl TS48661 [0,1,0,0,0,1|2,0,0]=4 223 B12R1.27 c1ccc(cc1)COC(=O)CN TS01384 [0,1,0,0,0,1|2,0,0]=4 224 B12R1.27 c1ccc(cc1)COC(=O)CN TS42888 [0,1,0,0,0,1|2,0,0]=4 225 B12R1.27 c1ccc(cc1)COC(=O)CN TS78338 [0,1,0,0,0,1|2,0,0]=4 226 B12R1.27 c1ccc(cc1)COC(=O)CO TS12174 [0,1,0,0,0,1|2,0,0]=4 227 B12R1.27 c1ccc(cc1)COC(=O)CS TS15006 [0,1,0,0,0,1|2,0,0]=4 228 B12R1.43 CC(C(=O)C)Oc1ccccc1 TS11848 [0,1,0,0,0,1|2,0,0]=4 229 B12R1.43 c1cc(cnc1)CC(C(=O)O)N TS12237 [0,1,0,0,0,1|2,0,0]=4 230 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N TS12231 [0,1,0,0,0,1|2,0,0]=4 231 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N TS38351 [0,1,0,0,0,1|2,0,0]=4 232 B12R1.43 c1ccc(cc1)CC(C(=O)N)N TS38014 [0,1,0,0,0,1|2,0,0]=4 233 B12R1.43 c1ccc(cc1)CC(C(=O)O)Br TS52786 [0,1,0,0,0,1|2,0,0]=4 234 B12R1.43 c1ccc(cc1)CC(C(=O)O)N TS43080 [0,1,0,0,0,1|2,0,0]=4 235 B12R1.43 c1ccc(cc1)CC(C(=O)O)N TS55882 [0,1,0,0,0,1|2,0,0]=4 236 B12R1.43 c1ccc(cc1)CC(C(=O)O)O TS43054 [0,1,0,0,0,1|2,0,0]=4 237 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N TS07935 [0,1,0,0,0,1|2,0,0]=4 238 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N TS38013 [0,1,0,0,0,1|2,0,0]=4 239 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N TS01531 [0,1,0,0,0,1|2,0,0]=4 240 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O TS56210 [0,1,0,0,0,1|2,0,0]=4 241 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N TS38015 [0,1,0,0,0,1|2,0,0]=4 242 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N TS42770 [0,1,0,0,0,1|2,0,0]=4 243 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br TS52787 [0,1,0,0,0,1|2,0,0]=4 244 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl TS15389 [0,1,0,0,0,1|2,0,0]=4 245 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N TS08006 [0,1,0,0,0,1|2,0,0]=4 246 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O TS12176 [0,1,0,0,0,1|2,0,0]=4 247 B12R1.43 c1ccnc(c1)CC(C(=O)O)N TS12233 [0,1,0,0,0,1|2,0,0]=4 248 B12R1.43 c1ccnc(c1)C[C@@H](C(=O)O)N TS22823 [0,1,0,0,0,1|2,0,0]=4 249 B12R1.43 c1ccnc(c1)C[C@H](C(=O)O)N TS43071 [0,1,0,0,0,1|2,0,0]=4 250 B12R1.43 c1cnccc1CC(C(=O)O)N TS12224 [0,1,0,0,0,1|2,0,0]=4 251 B12R1.43 c1cnccc1C[C@H](C(=O)O)N TS12232 [0,1,0,0,0,1|2,0,0]=4 252 B12R1.107 CC(=O)CC(=O)c1ccccc1 TS42435 [0,1,0,0,0,1|1,0,1]=4 253 B12R1.107 CC(=O)CC(=O)c1ccccn1 TS42571 [0,1,0,0,0,1|1,0,1]=4 254 B12R1.107 CC(CC(=O)O)c1ccccc1 TS42755 [0,1,0,0,0,1|2,0,0]=4 255 B12R1.107 CC(c1ccccc1)NC(=O)C TS11732 [0,1,0,0,0,1|2,0,0]=4 256 B12R1.107 CC(c1ccccc1)OC(=O)C TS39949 [0,1,0,0,0,1|2,0,0]=4 257 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 TS42738 [0,1,0,0,0,1|2,0,0]=4 258 B12R1.107 C[C@@H](c1ccccc1)NC(=O)C TS11712 [0,1,0,0,0,1|2,0,0]=4 259 B12R1.107 C[C@H](CC(=O)O)c1ccccc1 TS42736 [0,1,0,0,0,1|2,0,0]=4 260 B12R1.107 C[C@H](c1ccccc1)NC(=O)C TS11718 [0,1,0,0,0,1|2,0,0]=4 261 B12R1.107 c1cc(cnc1)C(CC(=O)O)N TS43076 [0,1,0,0,0,1|2,0,0]=4 262 B12R1.107 c1cc(cnc1)[C@@H](CC(=O)O)N TS12211 [0,1,0,0,0,1|2,0,0]=4 263 B12R1.107 c1cc(cnc1)[C@H](CC(=O)O)N TS12220 [0,1,0,0,0,1|2,0,0]=4 264 B12R1.107 c1ccc(cc1)C(CC(=O)O)Br TS52783 [0,1,0,0,0,1|2,0,0]=4 265 B12R1.107 c1ccc(cc1)C(CC(=O)O)N TS65071 [0,1,0,0,0,1|2,0,0]=4 266 B12R1.107 c1ccc(cc1)C(CC(=O)O)O TS12188 [0,1,0,0,0,1|2,0,0]=4 267 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O TS43028 [0,1,0,0,0,1|2,0,0]=4 268 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N TS46535 [0,1,0,0,0,1|2,0,0]=4 269 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O TS43030 [0,1,0,0,0,1|2,0,0]=4 270 B12R1.107 c1ccnc(c1)C(CC(=O)O)N TS43062 [0,1,0,0,0,1|2,0,0]=4 271 B12R1.107 c1cnccc1C(CC(=O)O)N TS43077 [0,1,0,0,0,1|2,0,0]=4 272 B12R1.125 CC(=O)NCc1ccccc1Br TS24458 [0,1,0,0,0,1|2,0,0]=4 273 B12R1.125 Cc1ccccc1CCC(=O)O TS11858 [0,1,0,0,0,1|2,0,0]=4 274 B12R1.125 Cc1ccccc1COC(=O)C TS42751 [0,1,0,0,0,1|2,0,0]=4 275 B12R1.125 c1ccc(c(c1)CCC(=O)N)O TS42899 [0,1,0,0,0,1|2,0,0]=4 276 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br TS65670 [0,1,0,0,0,1|2,0,0]=4 277 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl TS15380 [0,1,0,0,0,1|2,0,0]=4 278 B12R1.125 c1ccc(c(c1)CCC(=O)O)F TS00179 [0,1,0,0,0,1|2,0,0]=4 279 B12R1.125 c1ccc(c(c1)CCC(=O)O)I TS31068 [0,1,0,0,0,1|2,0,0]=4 280 B12R1.125 c1ccc(c(c1)CCC(=O)O)O TS43049 [0,1,0,0,0,1|2,0,0]=4 281 B12R1.226 Cc1cccc(c1)CCC(=O)O TS11878 [0,1,0,0,0,1|2,0,0]=4 282 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O TS09412 [0,1,0,0,0,1|2,0,0]=4 283 B12R1.226 c1cc(cc(c1)F)CCC(=O)O TS44844 [0,1,0,0,0,1|2,0,0]=4 284 B12R1.226 c1cc(cc(c1)I)CCC(=O)O TS31076 [0,1,0,0,0,1|2,0,0]=4 285 B12R1.226 c1cc(cc(c1)N)CCC(=O)O TS09411 [0,1,0,0,0,1|2,0,0]=4 286 B12R1.226 c1cc(cc(c1)N)CCC(=O)O TS19280 [0,1,0,0,0,1|2,0,0]=4 287 B12R1.226 c1cc(cc(c1)O)CCC(=O)O TS43037 [0,1,0,0,0,1|2,0,0]=4 288 B12R1.54 c1cc(oc1)C(=O)NCC(=O)O TS12649 [0,1,0,0,0,1|1,0,1]=4 289 B12R1.54 c1cc(sc1)C(=O)CCC(=O)O TS15274 [0,1,0,0,0,1|1,1,0]=4 290 B12R1.130 Cc1c(scn1)CCOC(=O)C TS48751 [0,1,0,0,0,1|1,1,0]=4 291 B12R1.260 c1cc(oc1)C[C@@H](CC(=O)O)N TS44998 [0,1,0,0,0,1|1,0,0]=3 292 B12R1.260 c1cc(oc1)C[C@H](CC(=O)O)N TS44988 [0,1,0,0,0,1|1,0,0]=3 293 B12R1.264 CC(=C)C(=O)OCc1ccco1 TS12175 [0,1,0,0,0,1|1,0,1]=4 294 B12R1.15 COC(=O)CC(=O)c1cccs1 TS15272 [0,2,0,0,0,0|0,1,1]=4 295 B12R1.26 c1c(o[nH]c1=O)CNC(=O)CN TS28287 [0,2,0,0,0,0|2,0,0]=4 296 B12R1.51 CCOC(=O)C=Cc1ccco1 TS12196 [0,2,0,0,0,0|0,0,2]=4 297 B12R1.51 CCOC(=O)CCc1ccco1 TS55375 [0,2,0,0,0,0|0,0,0]=2 298 B12R1.108 COC(=O)[C@@H](Cc1c[nH]cn1)N TS57653 [0,2,0,0,0,0|2,0,0]=4 299 B12R1.108 COC(=O)[C@H](Cc1c[nH]cn1)N TS01523 [0,2,0,0,0,0|2,0,0]=4 300 B12R1.104 Cc1cc(on1)C[C@@H](C(=O)O)N TS12791 [0,2,0,0,0,0|2,0,0]=4 301 B12R1.104 c1cc(sc1CC(C(=O)O)N)Br TS27993 [0,2,0,0,0,0|1,1,0]=4 302 B12R1.104 c1cc(sc1C[C@@H](C(=O)O)N)Br TS27995 [0,2,0,0,0,0|1,1,0]=4 303 B12R1.104 c1cc(sc1C[C@H](C(=O)O)N)Br TS27994 [0,2,0,0,0,0|1,1,0]=4 304 B12R1.59 CC(=O)OCc1ccc(o1)C=O TS03207 [0,2,0,0,0,0|1,0,0]=3 305 B12R1.59 COc1cc(on1)CCC(=O)O TS12970 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.103 c1c(csc1C(CC(=O)O)N)Br TS27996 [0,2,0,0,0,0|1,1,0]=4 307 B12R1.110 Cc1cc(oc1C)CCC(=O)O TS44865 [0,2,0,0,0,0|1,0,0]=3 308 B10R1.18 CC(=O)C[n+]1ccccc1 TS21976 [0,0,1,1,0,0|2,0,0]=4 309 B10R1.18 CC(=O)C[n+]1ccccc1 TS45387 [0,0,1,1,0,0|2,0,0]=4 310 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [0,0,1,1,0,0|1,0,1]=4 311 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [0,0,1,1,0,0|1,0,1]=4 312 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [0,0,1,1,0,0|1,0,1]=4 313 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [0,0,1,1,0,0|1,0,1]=4 314 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [0,0,1,1,0,0|1,0,1]=4 315 B10R1.61 CC(=O)c1ccccc1O TS01063 [0,0,1,1,0,0|0,0,2]=4 316 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [0,0,1,1,0,0|0,0,2]=4 317 B10R2.7 C1CCC2=C(C1)CC=C2 TS04833 [1,0,0,1,0,0|1,0,1]=4 318 B10R2.7 c1c[nH]c2c1CCCC2 TS70812 [1,0,0,1,0,0|1,0,1]=4 319 B10R2.7 c1csc2c1CNCC2 TS70816 [1,0,0,1,0,0|1,1,0]=4 320 B10R2.7 c1csc2c1CNCC2 TS70817 [1,0,0,1,0,0|1,1,0]=4 321 B10R2.32 c1c2c(c[nH]1)C(=O)CC2 TS04860 [1,0,0,1,0,0|2,0,0]=4 322 B10R2.2 c1csc2c1NC(=O)C2 TS60409 [0,0,0,1,1,0|1,1,0]=4 323 B12R2.22 c1ccc(cc1)C2CC(=O)C2 TS89513 [0,0,0,1,0,1|1,0,0]=3 324 B12R2.22 c1ccc(cc1)C2CC(=O)N2 TS40527 [0,0,0,1,0,1|2,0,0]=4 325 B12R2.24 c1c2c(ncn1)CCC(=O)C2 TS40630 [0,0,0,1,0,1|1,0,0]=3 326 B12R2.24 c1cc2c(nc1)NC(=O)CC2 TS40632 [0,0,0,1,0,1|2,0,0]=4 327 B12R2.24 c1ccc2c(c1)CC(=O)CO2 TS07410 [0,0,0,1,0,1|2,0,0]=4 328 B12R2.24 c1ccc2c(c1)CC(=O)CS2 TS11911 [0,0,0,1,0,1|2,0,0]=4 329 B12R2.24 c1ccc2c(c1)CC(=O)NC2 TS46807 [0,0,0,1,0,1|2,0,0]=4 330 B12R2.24 c1ccc2c(c1)CC(=O)OC2 TS08988 [0,0,0,1,0,1|2,0,0]=4 331 B12R2.24 c1ccc2c(c1)CCC(=O)C2 TS65651 [0,0,0,1,0,1|1,0,0]=3 332 B12R2.24 c1ccc2c(c1)CCC(=O)N2 TS02541 [0,0,0,1,0,1|2,0,0]=4 333 B12R2.24 c1ccc2c(c1)CCC(=O)O2 TS01918 [0,0,0,1,0,1|2,0,0]=4 334 B12R2.3190 c1ccc2c(c1)CC2C(=O)O TS39585 [0,0,0,1,0,1|2,0,0]=4 335 B12R2.2383 c1cc(oc1)COCC2CO2 TS10413 [0,0,0,1,0,1|0,0,2]=4 336 B12R2.252 c1csc2c1CC(C2)C(=O)O TS71342 [0,1,0,1,0,0|1,1,0]=4 337 B12R2.606 C1CC(=O)Cc2c1nc(s2)Cl TS50634 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.7 CC(=O)[c-]1cccc1 TS30755 [0,0,0,0,2,0|1,0,1]=4 339 B8R1.7 CC(=O)c1[nH]ccn1 TS31817 [0,0,0,0,2,0|2,0,0]=4 340 B8R1.7 CC(=O)c1c[nH]cn1 TS02951 [0,0,0,0,2,0|2,0,0]=4 341 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [0,0,0,0,2,0|2,0,0]=4 342 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [0,0,0,0,2,0|1,0,0]=3 343 B8R1.7 CC(=O)c1ccco1 TS04188 [0,0,0,0,2,0|0,0,0]=2 344 B8R1.7 CC(=O)c1cccs1 TS08262 [0,0,0,0,2,0|0,1,0]=3 345 B8R1.7 CC(=O)c1ccn[nH]1 TS07280 [0,0,0,0,2,0|2,0,0]=4 346 B8R1.7 CC(=O)c1ccns1 TS05261 [0,0,0,0,2,0|1,1,0]=4 347 B8R1.7 CC(=O)c1ccsc1 TS65833 [0,0,0,0,2,0|2,0,0]=4 348 B8R1.7 CC(=O)c1cncs1 TS46736 [0,0,0,0,2,0|1,1,0]=4 349 B8R1.7 CC(=O)c1nccs1 TS08261 [0,0,0,0,2,0|1,1,0]=4 350 B8R1.7 CC(=O)n1cccn1 TS04194 [0,0,0,0,2,0|2,0,0]=4 351 B8R1.7 CC(c1ccco1)N TS04253 [0,0,0,0,2,0|1,0,1]=4 352 B8R1.7 CC(c1ccco1)O TS31898 [0,0,0,0,2,0|0,0,2]=4 353 B8R1.7 C[C@H](c1ccco1)O TS31904 [0,0,0,0,2,0|0,0,2]=4 354 B8R1.7 c1c(ocn1)C(=O)N TS04275 [0,0,0,0,2,0|2,0,0]=4 355 B8R1.7 c1c(ocn1)C(=O)O TS01173 [0,0,0,0,2,0|2,0,0]=4 356 B8R1.7 c1cc([nH]c1)C(=O)N TS31822 [0,0,0,0,2,0|2,0,0]=4 357 B8R1.7 c1cc([nH]c1)C(=O)O TS01673 [0,0,0,0,2,0|2,0,0]=4 358 B8R1.7 c1cc(oc1)C(=N)N TS31821 [0,0,0,0,2,0|2,0,0]=4 359 B8R1.7 c1cc(oc1)C(=O)Cl TS36564 [0,0,0,0,2,0|1,0,0]=3 360 B8R1.7 c1cc(oc1)C(=O)N TS04237 [0,0,0,0,2,0|1,0,0]=3 361 B8R1.7 c1cc(oc1)C(=O)O TS04269 [0,0,0,0,2,0|1,0,0]=3 362 B8R1.7 c1cc(oc1)C(=S)N TS05264 [0,0,0,0,2,0|1,1,0]=4 363 B8R1.7 c1cc(oc1)[N+](=O)[O-] TS07968 [0,0,0,0,2,0|2,0,0]=4 364 B8R1.7 c1cc(sc1)C(=O)Cl TS07285 [0,0,0,0,2,0|1,1,0]=4 365 B8R1.7 c1cc(sc1)C(=O)N TS05268 [0,0,0,0,2,0|1,1,0]=4 366 B8R1.7 c1cc(sc1)C(=O)O TS59443 [0,0,0,0,2,0|1,1,0]=4 367 B8R1.7 c1cc(sc1)C(=O)[O-] TS36230 [0,0,0,0,2,0|1,1,0]=4 368 B8R1.7 c1cc(sc1)C(=O)[O-] TS40815 [0,0,0,0,2,0|1,1,0]=4 369 B8R1.7 c1cnoc1C(=O)Cl TS56205 [0,0,0,0,2,0|2,0,0]=4 370 B8R1.7 c1cnoc1C(=O)N TS04271 [0,0,0,0,2,0|2,0,0]=4 371 B8R1.7 c1coc(n1)C(=O)N TS04277 [0,0,0,0,2,0|2,0,0]=4 372 B8R1.7 c1coc(n1)C(=O)O TS39923 [0,0,0,0,2,0|2,0,0]=4 373 B10R1.17 C=CCCc1ccccc1 TS36707 [1,0,0,0,0,1|1,0,1]=4 374 B10R1.17 C=CCCc1ccncc1 TS36777 [1,0,0,0,0,1|1,0,1]=4 375 B10R1.17 CC=CCc1ccccc1 TS36709 [1,0,0,0,0,1|1,0,1]=4 376 B10R1.17 CCCCc1ccccc1 TS36870 [1,0,0,0,0,1|1,0,1]=4 377 B10R1.17 CCCCc1ccccn1 TS06002 [1,0,0,0,0,1|1,0,1]=4 378 B10R1.17 CCCCc1cccnc1 TS06012 [1,0,0,0,0,1|1,0,1]=4 379 B10R1.17 CCCCc1ccncc1 TS06014 [1,0,0,0,0,1|1,0,1]=4 380 B10R1.17 CNCCc1ccccc1 TS01606 [1,0,0,0,0,1|2,0,0]=4 381 B10R1.17 CNCCc1ccccn1 TS37041 [1,0,0,0,0,1|2,0,0]=4 382 B10R1.17 CNCCc1ccccn1 TS63536 [1,0,0,0,0,1|2,0,0]=4 383 B10R1.17 CNCCc1ccccn1 TS65180 [1,0,0,0,0,1|2,0,0]=4 384 B10R1.17 CNCCc1cccnc1 TS08004 [1,0,0,0,0,1|2,0,0]=4 385 B10R1.17 CNCCc1ccncc1 TS37035 [1,0,0,0,0,1|2,0,0]=4 386 B10R1.17 COCCc1ccccc1 TS06081 [1,0,0,0,0,1|2,0,0]=4 387 B10R1.17 COCCc1ccccn1 TS06192 [1,0,0,0,0,1|2,0,0]=4 388 B10R1.17 c1ccc(cc1)CCC=O TS01796 [1,0,0,0,0,1|1,0,0]=3 389 B10R1.17 c1ccc(cc1)CNC=O TS36937 [1,0,0,0,0,1|2,0,0]=4 390 B10R1.17 c1ccc(cc1)COC=O TS36984 [1,0,0,0,0,1|2,0,0]=4 391 B10R1.17 c1ccc(cc1)OCC=O TS36991 [1,0,0,0,0,1|2,0,0]=4 392 B12R1.252 CC(=O)CSCc1ccccc1 TS14651 [0,0,0,0,0,2|1,0,0]=3 393 B12R1.252 CC(=O)NCCc1ccccc1 TS42602 [0,0,0,0,0,2|1,0,0]=3 394 B12R1.252 CC(=O)OCCc1ccccc1 TS11854 [0,0,0,0,0,2|1,0,0]=3 395 B12R1.252 c1ccc(cc1)CCCC(=O)Cl TS48364 [0,0,0,0,0,2|2,0,0]=4 396 B12R1.252 c1ccc(cc1)COCC(=O)Cl TS55761 [0,0,0,0,0,2|2,0,0]=4 397 B12R1.252 c1ccc(cc1)COCC(=O)O TS09024 [0,0,0,0,0,2|2,0,0]=4 398 B12R1.252 c1ccc(cc1)CSCC(=O)N TS14831 [0,0,0,0,0,2|2,0,0]=4 399 B12R1.252 c1ccc(cc1)CSCC(=O)O TS15003 [0,0,0,0,0,2|2,0,0]=4 400 B12R1.252 c1ccc(cc1)NCCC(=O)N TS11897 [0,0,0,0,0,2|2,0,0]=4 401 B12R1.252 c1ccc(cc1)NCCC(=O)O TS42898 [0,0,0,0,0,2|2,0,0]=4 402 B12R1.252 c1ccc(cc1)OCCC(=O)O TS43043 [0,0,0,0,0,2|2,0,0]=4 403 B12R1.252 c1ccc(cc1)SCCC(=O)O TS15008 [0,0,0,0,0,2|2,0,0]=4 404 B12R1.252 c1ccnc(c1)NCCC(=O)O TS12214 [0,0,0,0,0,2|2,0,0]=4 405 B12R1.252 c1cnccc1CCCC(=O)O TS38168 [0,0,0,0,0,2|2,0,0]=4 406 B12R1.255 CC(=O)C=CC=Cc1ccco1 TS42450 [0,0,0,0,0,2|0,0,2]=4 407 B12R1.255 c1cc(sc1)CCCCC(=O)O TS48594 [0,0,0,0,0,2|1,1,0]=4