0 B14R1.29 CCCC(C)NC(=O)C1=CC=CC=C1 R269034 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.29 CCNC(=O)NC(=O)C1=CN=CC=C1 PH008226 [0,0,0,0,0,0|3,0,0]=3 2 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 CDS019925 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.29 CCOC(=O)CC(=O)C1=NC=CN=C1 JRD0707 [0,0,0,0,0,0|2,0,0]=2 4 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 CDS011316 [0,0,0,0,0,0|1,0,1]=2 5 B14R1.29 CCOC(=O)CC(N)C1=CC=NC=C1 PH016205 [0,0,0,0,0,0|2,0,1]=3 6 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 S521000 [0,0,0,0,0,0|0,0,2]=2 7 B14R1.29 CCOC(=O)CN(C)C1=CC=CC=C1 PH010482 [0,0,0,0,0,0|2,0,0]=2 8 B14R1.29 CCOC(=O)OC(=O)C1=CC=CC=C1 PH008263 [0,0,0,0,0,0|1,0,0]=1 9 B14R1.29 CCOC(=S)NC(=O)C1=CC=CC=C1 PH002438 [0,0,0,0,0,0|1,1,0]=2 10 B14R1.29 CCSC(=S)NC(=O)C1=CC=CC=C1 PH009453 [0,0,0,0,0,0|1,2,0]=3 11 B13R1.11 CCC(C)NC(=O)C1=CC=CC=C1 R269182 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.11 CNC(=O)/C=C(\C)/C1=CC=CC=C1 PH006947 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.11 CNC(=O)CC(O)C1=CC=CC=C1 R127094 [1,0,0,0,0,0|1,0,2]=4 14 B13R1.11 COC(=O)/C=C(/C)\C1=CC=CC=C1 S882089 [1,0,0,0,0,0|1,0,1]=3 15 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 OTV000182 [1,0,0,0,0,0|0,0,0]=1 16 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CDS021823 [1,0,0,0,0,0|1,0,1]=3 17 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 R128538 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.42 CCCC(=O)NCC1=CC=CC=C1 R343269 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 PH007173 [1,0,0,0,0,0|3,0,0]=4 20 B13R1.42 CCNC(=O)NNC1=CC=CC=C1 PH007136 [1,0,0,0,0,0|3,0,0]=4 21 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 PH003746 [1,0,0,0,0,0|1,0,1]=3 22 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 CDS003195 [1,0,0,0,0,0|1,0,0]=2 23 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 PH005137 [1,0,0,0,0,0|1,0,0]=2 24 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 PH011548 [1,0,0,0,0,0|1,0,1]=3 25 B13R1.42 CCOC(=O)NNC1=CC=CC=C1 S512680 [1,0,0,0,0,0|2,0,0]=3 26 B13R1.42 CNNC(=O)COC1=CC=CC=C1 T151408 [1,0,0,0,0,0|3,0,0]=4 27 B15R1.23 CCOC(=O)CC(N)C1=CC=C(C=C1)C PH015772 [0,1,0,0,0,0|1,0,1]=3 28 B15R1.23 CCOC(=O)CC(N)C1=CC=C(C=C1)Cl PH016707 [0,1,0,0,0,0|1,0,1]=3 29 B15R1.23 CCOC(=O)CS(=O)C1=CC=C(C=C1)Cl T267449 [0,1,0,0,0,0|1,0,0]=2 30 B15R1.24 CCOC(=O)CC(N)C1=CC(=CC=C1)C PH014909 [0,1,0,0,0,0|1,0,1]=3 31 B15R1.24 CCOC(=O)CC(N)C1=CC(=CC=C1)Cl PH018214 [0,1,0,0,0,0|1,0,1]=3 32 B15R1.115 CCCNC(=O)CC(C)C1=CC=CC=C1 R348759 [0,1,0,0,0,0|2,0,1]=4 33 B15R1.578 CCOC(=O)C(Br)C(=O)C1=CC=NC=C1 PH014941 [0,1,0,0,0,0|1,0,0]=2 34 B15R1.578 CCOC(=O)C(Br)C(=O)C1=NC=CC=C1 PH015902 [0,1,0,0,0,0|1,0,0]=2 35 B15R1.578 CCOC(=O)C(Br)C(Br)C1=CC=CC=C1 S616729 [0,1,0,0,0,0|1,0,1]=3 36 B15R1.578 CCOC(=O)[C@H](O)[C@@H](N)C1=CC=CC=C1 PH016268 [0,1,0,0,0,0|1,0,1]=3 37 B15R1.947 COC(=O)C(=O)CC(=O)C1=CC=CC=C1 L499196 [0,1,0,0,0,0|2,0,0]=3 38 B15R1.947 COC(=O)C(=O)CC(=O)C1=CC=CC=C1 R621242 [0,1,0,0,0,0|2,0,0]=3 39 B15R1.947 CON(C)C(=O)CS(=O)C1=CC=CC=C1 T340235 [0,1,0,0,0,0|3,0,0]=4 40 B15R1.1257 CCOC(=O)C=C(O[TlH2])C1=CC=CC=C1 S443662 [0,1,0,0,0,0|0,0,2]=3 41 B15R1.3722 CCOC(=O)CC(N)C1=CC=CC=C1C PH018213 [0,1,0,0,0,0|1,0,1]=3 42 B15R1.3722 CCOC(=O)CC(N)C1=CC=CC=C1Cl PH015718 [0,1,0,0,0,0|1,0,1]=3 43 B15R2.395 O=C1CCCC1C(=O)C2=CC=CC=C2 R174270 [0,0,0,1,0,0|1,0,0]=2 44 B15R2.395 O=C1NCCN1C(=O)C2=CC=CC=C2 PH007225 [0,0,0,1,0,0|2,0,0]=3 45 B15R2.886 CCCC1=CC2=CC=CC=C2C(=O)O1 PH008570 [0,0,0,1,0,0|3,0,0]=4 46 B15R2.886 CCOC1=NC2=CC=CC=C2C(=C1)Cl PH016023 [0,0,0,1,0,0|2,0,1]=4 47 B15R2.1259 O=C(CC1CCCC1)C2=CC=CC=C2 PH010294 [0,0,0,1,0,0|2,0,1]=4 48 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 S367249 [0,0,0,1,0,0|1,0,1]=3 49 B15R2.6124 CCN1C(=O)C=C(C2=CC=CC=C12)O T312509 [0,0,0,1,0,0|1,0,2]=4 50 B15R2.6124 CCN1C(=O)OC(=O)C2=C1C=CC=C2 S657026 [0,0,0,1,0,0|2,0,0]=3 51 B13R1.33 CCOC(=O)CC(=O)C1=CC=CS1 PH003570 [0,0,0,0,1,0|1,0,0]=2 52 B13R1.33 CCOC(=O)NC(=S)N1C=CC=C1 PH009424 [0,0,0,0,1,0|2,1,0]=4 53 B13R1.47 CCOC(=N)C(Cl)C1=CC=CC=C1 S767735 [0,0,0,0,1,0|2,0,1]=4 54 B13R1.47 CCOC(=O)N(C)C1=CC=CC=C1 S353396 [0,0,0,0,1,0|2,0,0]=3 55 B13R1.47 CCOC(=O)N(O)C1=CC=CC=C1 S857505 [0,0,0,0,1,0|1,0,1]=3 56 B15R1.89 CCOC(=O)CNC(=O)C1=CC=CC=C1 S677612 [0,0,0,0,0,1|0,0,0]=1 57 B15R1.89 CCOC(=O)N/N=C(\C)/C1=CC=CC=C1 S17281 [0,0,0,0,0,1|2,0,0]=3 58 B15R1.89 CCOC(=O)N/N=C(\C)/C1=CN=CC=C1 PH009281 [0,0,0,0,0,1|3,0,0]=4 59 B15R1.89 CCOC(=O)NNC(C)C1=CC=CC=C1 PH000307 [0,0,0,0,0,1|2,0,1]=4 60 B15R1.809 CCCC(=O)NC(=O)NC1=CC=CC=C1 S856304 [0,0,0,0,0,1|2,0,0]=3 61 B15R1.809 CCOC(=O)C=C(C)NC1=CC=CC=C1 S361488 [0,0,0,0,0,1|1,0,1]=3 62 B15R1.809 CCOC(=O)CC(C)NC1=CC=CC=C1 PH010336 [0,0,0,0,0,1|1,0,1]=3 63 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [2,0,0,0,0,0|0,0,1]=3 64 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [2,0,0,0,0,0|0,0,1]=3 65 B12R1.27 CCC(=O)NNC1=CC=CC=C1 S557188 [2,0,0,0,0,0|2,0,0]=4 66 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [2,0,0,0,0,0|2,0,0]=4 67 B12R1.27 COC(=O)C=CC1=CC=NC=C1 S409413 [2,0,0,0,0,0|1,0,1]=4 68 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [2,0,0,0,0,0|1,0,1]=4 69 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [2,0,0,0,0,0|1,0,1]=4 70 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [2,0,0,0,0,0|1,0,1]=4 71 B12R1.30 CCSCC(=O)C1=CC=CC=C1 S577030 [2,0,0,0,0,0|0,1,0]=3 72 B12R1.30 CN/C=C/C(=O)C1=CC=CC=C1 S732370 [2,0,0,0,0,0|1,0,1]=4 73 B12R1.30 O=C(/C=C/O[Na])C1=CC=CC=C1 TMT00060 [2,0,0,0,0,0|1,0,1]=4 74 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [2,0,0,0,0,0|1,0,1]=4 75 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 S561150 [2,0,0,0,0,0|1,0,1]=4 76 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [2,0,0,0,0,0|1,0,1]=4 77 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [2,0,0,0,0,0|2,0,0]=4 78 B14R1.10 CCC(=O)NC(=O)C1=CC=C(C=C1)Cl PH009104 [1,1,0,0,0,0|1,0,0]=3 79 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)O CDS000077 [1,1,0,0,0,0|0,0,0]=2 80 B14R1.85 CNC(=O)N(C)C(=O)C1=CC=CC=C1 PH009601 [1,1,0,0,0,0|2,0,0]=4 81 B14R1.85 COC(=O)C(Br)C(=O)C1=CN=CC=C1 PH016482 [1,1,0,0,0,0|1,0,0]=3 82 B14R1.85 COC(=O)C(Br)C(Br)C1=CC=CC=C1 PH000383 [1,1,0,0,0,0|1,0,1]=4 83 B14R1.415 CC(C)N(C)CC(=O)C1=CC=CC=C1 PH012133 [1,1,0,0,0,0|2,0,0]=4 84 B14R1.741 COC(=O)NS(=O)(=O)C1=CC=CC=C1 R466158 [1,1,0,0,0,0|2,0,0]=4 85 B14R1.19 CCCCCC(=O)C1=CC=C(C=C1)Cl S759295 [1,1,0,0,0,0|1,0,1]=4 86 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 CDS000554 [1,1,0,0,0,0|1,0,1]=4 87 B14R1.32 CCOC(=O)C=CC1=CC(=CC=C1)O S84086 [1,1,0,0,0,0|0,0,1]=3 88 B14R1.32 CCOC(=O)CNC1=CC(=CC=C1)Cl L319384 [1,1,0,0,0,0|1,0,0]=3 89 B14R1.32 CCOC(=O)CNC1=CC=CC(=C1)C L449148 [1,1,0,0,0,0|1,0,0]=3 90 B14R1.32 CCOC(=O)COC1=CC(=CC=C1)C PH011247 [1,1,0,0,0,0|1,0,0]=3 91 B14R1.32 CCOC(=O)COC1=CC=CC(=C1)N PH012965 [1,1,0,0,0,0|1,0,0]=3 92 B14R1.60 CCOC(=O)C(C)SC1=CC=CC=C1 S799912 [1,1,0,0,0,0|1,0,0]=3 93 B14R1.60 CCOC(=O)C(N)CC1=CC=NC=C1 CDS020927 [1,1,0,0,0,0|1,0,1]=4 94 B14R1.156 CCCNC(=O)/C=C/C1=CC=CC=C1 PH006955 [1,1,0,0,0,0|1,0,1]=4 95 B14R1.156 CCCNC(=O)COC1=CC=CC=C1 R329312 [1,1,0,0,0,0|2,0,0]=4 96 B14R1.156 O=C(COC1=CC=CC=C1)NCCO S350796 [1,1,0,0,0,0|2,0,0]=4 97 B14R1.156 O=C(NCC1=CC=CC=C1)OCCI PH001946 [1,1,0,0,0,0|1,0,1]=4 98 B14R1.156 O=C(NNC1=CC=CC=C1)OCCCl PH009224 [1,1,0,0,0,0|2,0,0]=4 99 B14R1.502 CCNC(=O)/C=C/C1=CC=C(C=C1)Cl PH007012 [1,1,0,0,0,0|1,0,1]=4 100 B14R1.502 CCOC(=O)/C=C/C1=CC=C(N=C1)Cl ADE000253 [1,1,0,0,0,0|1,0,1]=4 101 B14R1.502 CCOC(=O)/C=C/C1=CC=C(N=C1)N ADE000252 [1,1,0,0,0,0|1,0,1]=4 102 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)O S582131 [1,1,0,0,0,0|0,0,1]=3 103 B14R1.502 CCOC(=O)CNC1=CC=C(C=C1)Br PH009987 [1,1,0,0,0,0|1,0,0]=3 104 B14R1.502 CCOC(=O)CNC1=CC=C(C=C1)Cl PH011710 [1,1,0,0,0,0|1,0,0]=3 105 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl PH010408 [1,1,0,0,0,0|1,0,0]=3 106 B14R1.502 CCOC(=O)COC1=CC=C(N=C1)C S447803 [1,1,0,0,0,0|2,0,0]=4 107 B14R1.598 CCOC(=O)/C=C/C1=C(C=CC=C1)Cl PH003227 [1,1,0,0,0,0|0,0,1]=3 108 B14R1.598 CCOC(=O)/C=C/C1=CC=CN=C1Cl ADE000261 [1,1,0,0,0,0|1,0,1]=4 109 B14R1.598 CCOC(=O)CCC1=CC=CC=C1Br PH000463 [1,1,0,0,0,0|0,0,1]=3 110 B14R1.598 CCOC(=O)CNC1=CC=CC=C1Cl PH010545 [1,1,0,0,0,0|1,0,0]=3 111 B14R1.598 CCOC(=O)COC1=C(C=CC=C1)Cl PH010406 [1,1,0,0,0,0|1,0,0]=3 112 B14R1.818 CC(C)CC(=O)C=CC1=CC=CC=C1 S411019 [1,1,0,0,0,0|1,0,1]=4 113 B14R1.818 CC(C)CC(=O)CCC1=CC=CC=C1 S411000 [1,1,0,0,0,0|1,0,1]=4 114 B14R1.818 CC(C)NC(=O)/C=C/C1=CC=CC=C1 PH006948 [1,1,0,0,0,0|1,0,1]=4 115 B14R1.818 CC(C)OC(=O)/C=C/C1=CC=CC=C1 S888907 [1,1,0,0,0,0|0,0,1]=3 116 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)Cl CDS004599 [0,1,0,0,1,0|0,0,0]=2 117 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)F CDS006139 [0,1,0,0,1,0|0,0,0]=2 118 B14R1.35 CCOC(=O)C(O)C1=CC=C(C=C1)Cl PH009794 [0,1,0,0,1,0|0,0,2]=4 119 B14R1.36 CCOC(=O)N(O)C1=CC(=CC=C1)Cl S857823 [0,1,0,0,1,0|1,0,1]=4 120 B14R1.604 CCOC(=O)/C(=N/O)/C1=CC=NC=C1 PH008594 [0,1,0,0,1,0|1,0,1]=4 121 B14R1.604 CCOC(=O)/C(=N\O)/C1=CC=CC=N1 S417947 [0,1,0,0,1,0|1,0,1]=4 122 B14R1.604 CCOC(=O)C(CC)C1=CC=CC=C1 S361879 [0,1,0,0,1,0|1,0,1]=4 123 B14R1.604 CCOC(=O)N(OC)C1=CC=CC=C1 S857513 [0,1,0,0,1,0|1,0,1]=4 124 B14R1.3348 CCOC(=O)C(Br)C1=CC=CC=C1Cl PH005372 [0,1,0,0,1,0|1,0,1]=4 125 B16R1.58 CCCC(=O)NNC(=O)C1=CC=C(C=C1)Cl S904740 [0,1,0,0,0,1|2,0,0]=4 126 B16R1.58 CCOC(=O)CCC(=O)C1=CC=C(C=C1)C T195200 [0,1,0,0,0,1|0,0,0]=2 127 B16R1.58 CCOC(=O)CCC(=O)C1=CC=C(C=C1)Cl BBO000353 [0,1,0,0,0,1|0,0,0]=2 128 B16R1.58 CCOC(=O)CCC(=O)C1=CC=C(C=C1)F R945145 [0,1,0,0,0,1|0,0,0]=2 129 B16R1.58 CCOC(=O)CNC(=O)C1=CC=C(C=C1)C R129240 [0,1,0,0,0,1|0,0,0]=2 130 B16R1.58 CCOC(=O)CNC(=O)C1=CC=C(C=C1)Cl S903337 [0,1,0,0,0,1|0,0,0]=2 131 B16R1.59 CCOC(=O)CNC(=O)C1=CC(=CC=C1)Cl R537721 [0,1,0,0,0,1|0,0,0]=2 132 B16R1.59 CCOC(=O)CNC(=O)C1=CC(=CC=C1)Cl R704024 [0,1,0,0,0,1|0,0,0]=2 133 B16R1.915 CCOC(=O)CC(=O)C(C)C1=CC=CC=C1 PH008370 [0,1,0,0,0,1|1,0,1]=4 134 B16R1.1553 C(=C\S(=O)(=O)C1=CC=CC=C1)\C(=O)OCC T281425 [0,1,0,0,0,1|1,0,1]=4 135 B16R1.1553 CCOC(=O)NCS(=O)(=O)C1=CC=CC=C1 S803855 [0,1,0,0,0,1|1,0,0]=3 136 B16R1.5624 CCOC(=O)CNC(=O)C1=C(C=CC=C1)Cl R537802 [0,1,0,0,0,1|0,0,0]=2 137 B16R1.5624 CCOC(=O)CNC(=O)C1=CC=CC=C1O PH010782 [0,1,0,0,0,1|0,0,0]=2 138 B16R1.945 CCOC(=O)N(C)C(=O)NC1=CC=CC=C1 S856371 [0,1,0,0,0,1|1,0,0]=3 139 B16R1.955 CCCC(=O)CC(=O)NC1=CC=C(C=C1)Cl S169870 [0,1,0,0,0,1|1,0,0]=3 140 B16R1.955 CCCC(=O)NC(=O)NC1=CC=C(C=C1)Cl S856339 [0,1,0,0,0,1|2,0,0]=4 141 B16R1.955 CCOC(=O)C=C(C)NC1=CC=C(C=C1)Cl S365629 [0,1,0,0,0,1|1,0,1]=4 142 B16R1.956 CCOC(=O)C=C(C)NC1=CC=CC(=C1)Cl S514349 [0,1,0,0,0,1|1,0,1]=4 143 B16R1.956 CCOC(=O)CC(=O)CC1=CC=CC(=C1)F PH014641 [0,1,0,0,0,1|0,0,0]=2 144 B16R1.1497 CCCCC(=O)NC(=O)NC1=CC=CC=C1 S768308 [0,1,0,0,0,1|2,0,0]=4 145 B16R1.2180 CCOC(=O)C[N+](C)(C)CC1=CC=CC=C1 L497592 [0,1,0,0,0,1|2,0,0]=4 146 B16R1.4235 CCOC(=O)C=C(C)NC1=C(C=CC=C1)O S985538 [0,1,0,0,0,1|1,0,1]=4 147 B16R1.953 CCOC(=O)CS(=O)(=O)C1=CC=C(C=C1)C S531138 [0,2,0,0,0,0|1,0,0]=3 148 B16R1.953 CCOC(=O)N=S(=O)(N)C1=CC=C(C=C1)Cl S256668 [0,2,0,0,0,0|2,0,0]=4 149 B16R1.953 CCOC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl PH006333 [0,2,0,0,0,0|2,0,0]=4 150 B16R1.1124 COC(=O)C(=O)CC(=O)C1=CC=C(C=C1)Br L499234 [0,2,0,0,0,0|2,0,0]=4 151 B16R1.1124 COC(=O)C(=O)CC(=O)C1=CC=C(C=C1)Cl L499226 [0,2,0,0,0,0|2,0,0]=4 152 B16R1.1124 COC(=O)C(=O)CC(=O)C1=CC=C(C=C1)F L499242 [0,2,0,0,0,0|2,0,0]=4 153 B16R1.1521 CCOC(=O)CC(C#N)C1=CC=C(C=C1)Cl PH002754 [0,2,0,0,0,0|1,0,1]=4 154 B16R1.4218 CCOC(=O)CC(N)C1=CC=C(C=C1)C#N PH018206 [0,2,0,0,0,0|1,0,1]=4 155 B16R1.4218 CCOC(=O)CC(N)C1=CC=C(C=C1)OC CDS021845 [0,2,0,0,0,0|1,0,1]=4 156 B16R1.4231 CCOC(=O)CC(=O)C1=CC=C(C(=C1)F)F L132535 [0,2,0,0,0,0|0,0,0]=2 157 B16R1.4231 CCOC(=O)CC(N)C1=CC(=C(C=C1)F)C PH015215 [0,2,0,0,0,0|1,0,1]=4 158 B16R1.4212 CCOC(=O)CC(N)C1=CC(=CC=C1F)F PH016237 [0,2,0,0,0,0|1,0,1]=4 159 B16R1.4226 CCOC(=O)CC(N)C1=CC=CC(=C1)C#N PH015218 [0,2,0,0,0,0|1,0,1]=4 160 B16R1.4226 CCOC(=O)CC(N)C1=CC=CC(=C1)OC PH015220 [0,2,0,0,0,0|1,0,1]=4 161 B16R1.951 CCOC(=O)/C(=C(/C)\C1=CC=CC=C1)/C#N S36049 [0,2,0,0,0,0|1,0,1]=4 162 B16R1.951 CCOC(=O)/C(=N\O)/C(=O)C1=CC=CC=C1 S17753 [0,2,0,0,0,0|0,0,1]=3 163 B16R1.951 CCOC(=O)/C(=N\O)/C(=O)C1=CC=CC=N1 PH006992 [0,2,0,0,0,0|1,0,1]=4 164 B16R1.6742 CC(C)(C)OC(=O)CC(N)C1=CC=CC=C1 PH018750 [0,2,0,0,0,0|1,0,1]=4 165 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 S353248 [1,0,0,1,0,0|0,0,2]=4 166 B14R2.7724 CC1C(=O)NC(=O)C2=C1C=CC=C2 T153575 [1,0,0,1,0,0|1,0,0]=3 167 B14R2.7724 CN1C(=O)CC(=O)C2=CC=CC=C12 T323713 [1,0,0,1,0,0|1,0,0]=3 168 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 PH000033 [1,0,0,1,0,0|1,0,1]=4 169 B14R2.510 CCOC1OC(=O)C2=C1C=CC=C2 S663018 [1,0,0,1,0,0|1,0,1]=4 170 B14R2.510 CN/N=C/1\CC(=O)C2=C1C=CC=C2 R628085 [1,0,0,1,0,0|2,0,0]=4 171 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 S134104 [1,0,0,1,0,0|1,0,1]=4 172 B14R2.112 CCOC1=NC2=CC=CC=C2C=C1 T160180 [1,0,0,1,0,0|1,0,1]=4 173 B14R2.112 CCOC1=NC2=CC=CC=C2OC1 PH001429 [1,0,0,1,0,0|2,0,0]=4 174 B14R2.203 CCN1C(=O)C=CC2=C1C=CC=C2 S982296 [1,0,0,1,0,0|1,0,1]=4 175 B14R2.280 O=C1CCC2=CC=CC=C2CCN1 T176400 [1,0,0,1,0,0|1,0,1]=4 176 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 PH007913 [1,0,0,1,0,0|1,0,1]=4 177 B14R2.2899 O=C(/C=C/C1=CC=CC=C1)C2CC2 S621102 [1,0,0,1,0,0|1,0,1]=4 178 B14R2.2899 O=C(CSC1=CC=CC=C1)C2CC2 T245402 [1,0,0,1,0,0|2,0,0]=4 179 B14R2.19306 CCN1C(=O)C(=O)C2=CC=CC=C12 PH011274 [0,0,0,1,1,0|1,0,0]=3 180 B14R2.19306 O=C1C(=O)N(C2=C1C=CC=C2)CO S802107 [0,0,0,1,1,0|2,0,0]=4 181 B16R2.789 CCOC(=O)NC1CC1C2=CC=CC=C2 PH007466 [0,0,0,1,0,1|1,0,1]=4 182 B16R2.3014 N=C1SCCN1CC(=O)C2=CC=CC=C2 S22277 [0,0,0,1,0,1|1,1,0]=4 183 B16R2.3014 O=C(NC1CCOC1=O)C2=CC=CC=C2 PH011282 [0,0,0,1,0,1|0,0,0]=2 184 B16R2.5767 O=C(CSC1=NCCN1)C2=CC=CC=C2 PH013073 [0,0,0,1,0,1|2,0,0]=4 185 B16R2.725 CCOC(=O)C1CC1CC2=CC=CC=C2 S348120 [0,0,0,1,0,1|1,0,1]=4 186 B16R2.734 CCOC(=O)CC1=NC2=C(N1)C=CC=C2 PH009887 [0,0,0,1,0,1|1,0,0]=3 187 B16R2.734 CCOC(=O)CC1=NC2=C(S1)C=CC=C2 PH011698 [0,0,0,1,0,1|0,1,0]=3 188 B16R2.734 CCOC(=O)NC1=NC2=C(S1)C=CC=C2 R242756 [0,0,0,1,0,1|1,1,0]=4 189 B16R2.734 CCOC(=O)SC1=NC2=C(S1)C=CC=C2 S507237 [0,0,0,1,0,1|1,1,0]=4 190 B16R2.734 CCOC(=O)SC1=NC2=C(S1)C=CC=C2 S986240 [0,0,0,1,0,1|1,1,0]=4 191 B16R2.3806 CCCC1=NN(C(=O)C1)C2=CC=CC=C2 R788937 [0,0,0,1,0,1|2,0,0]=4 192 B16R2.29842 CCOC(=O)C1=C(NC2=CC=CC=C12)N PH000350 [0,0,0,1,0,1|1,0,1]=4 193 B16R2.29842 CCOC(=O)C1C(=O)CC2=C1C=CC=C2 PH008390 [0,0,0,1,0,1|0,0,0]=2 194 B16R2.29842 CCOC(=O)N1C(=O)OC2=C1C=CC=C2 S815438 [0,0,0,1,0,1|1,0,0]=3 195 B16R2.29842 CCOC(=O)N1C(=O)SC2=C1C=CC=C2 R241008 [0,0,0,1,0,1|1,0,0]=3 196 B16R2.9913 CCN1C(=O)OC(=O)C2=C1C=CC(=C2)Cl PH000491 [0,1,0,1,0,0|2,0,0]=4 197 B16R2.21680 CCOC1=NC2=CC=C(C=C2C(=O)O1)C T320935 [0,1,0,1,0,0|2,0,0]=4 198 B16R2.3896 O=C1CCCCN1C(=O)C2=CC=CC=C2 PH007690 [0,1,0,1,0,0|2,0,0]=4 199 B16R2.757 CCOC(=O)C1=C(C2=CC=CC=C2N1)Cl PH010668 [0,1,0,1,0,0|1,0,1]=4 200 B16R2.757 CCOC(=O)C1OC2=C(C1=O)C=CC=C2 T149926 [0,1,0,1,0,0|0,0,0]=2 201 B16R2.757 N1C2=CC=CC=C2C(=C1C(=O)OCC)C ANV00255 [0,1,0,1,0,0|1,0,1]=4 202 B16R2.779 CCOC(=O)C1(OC1C2=CC=CC=C2)C PH001385 [0,1,0,1,0,0|0,0,2]=4 203 B16R2.5972 CN1CCC(C1=O)C(=O)C2=CC=CN=C2 CDS006459 [0,1,0,1,0,0|2,0,0]=4 204 B16R2.5 CCOC(=O)CC1=CSC2=CC=CC=C12 PH000076 [0,1,0,1,0,0|0,1,0]=3 205 B16R2.5 CCOC(=O)CN1C=NC2=C1C=CC=C2 PH010772 [0,1,0,1,0,0|2,0,0]=4 206 B16R2.5 CCOC(=O)CN1N=NC2=C1C=CC=C2 R308242 [0,1,0,1,0,0|2,0,0]=4 207 B16R2.5 CCOC(=O)C[N+]1=CSC2=C1C=CC=C2 L259365 [0,1,0,1,0,0|1,1,0]=4 208 B16R2.5 CCOC(=O)C[N+]1=CSC2=C1C=CC=C2 R307335 [0,1,0,1,0,0|1,1,0]=4 209 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [1,0,0,0,1,0|1,0,1]=4 210 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 S593400 [1,0,0,0,1,0|2,0,0]=4 211 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 T278246 [1,0,0,0,1,0|1,0,1]=4 212 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 S792535 [1,0,0,0,1,0|1,0,1]=4 213 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 S888060 [1,0,0,0,1,0|1,0,1]=4 214 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 TMT00574 [1,0,0,0,1,0|1,0,1]=4 215 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [1,0,0,0,1,0|1,0,0]=3 216 B12R1.32 CCNC(=O)NC1=CC=CC=C1 S591637 [1,0,0,0,1,0|2,0,0]=4 217 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 L497142 [1,0,0,0,1,0|1,0,0]=3 218 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 S343471 [1,0,0,0,1,0|1,0,0]=3 219 B12R1.32 CCOC(=O)NC1=CC=CC=C1 S714615 [1,0,0,0,1,0|1,0,0]=3 220 B12R1.32 CCOC(=O)NC1=CC=CC=N1 PH000186 [1,0,0,0,1,0|2,0,0]=4 221 B12R1.32 CCOC(=O)NC1=CN=CC=C1 EME00390 [1,0,0,0,1,0|2,0,0]=4 222 B12R1.32 CCOC(=O)OC1=CC=CC=C1 S509043 [1,0,0,0,1,0|1,0,0]=3 223 B12R1.32 CCOC(=S)NC1=CC=CC=C1 S412716 [1,0,0,0,1,0|1,1,0]=4 224 B12R1.51 CCOC(=O)CCN1C=CC=C1 PH010765 [1,0,0,0,1,0|1,0,1]=4 225 B14R1.743 CCC(=O)NC(=O)NC1=CC=CC=C1 S856290 [1,0,0,0,0,1|1,0,0]=3 226 B14R1.158 CCCCCC(=O)OC1=CC=CC=C1 S657891 [1,0,0,0,0,1|1,0,1]=4 227 B14R1.520 CCCC(=O)NCCC1=CC=CC=C1 R343404 [1,0,0,0,0,1|1,0,1]=4 228 B14R1.520 CCOC(=O)/C=C/NC1=CC=CC=C1 PH000578 [1,0,0,0,0,1|0,0,1]=3 229 B14R1.520 CCOC(=O)/C=N/NC1=CC=CC=C1 PH003756 [1,0,0,0,0,1|1,0,1]=4 230 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 S349542 [1,0,0,0,0,1|0,0,1]=3 231 B14R1.520 CCOC(=O)CCOC1=CC=CC=C1 S380792 [1,0,0,0,0,1|0,0,1]=3 232 B14R1.520 CCOC(=O)CCSC1=CC=CC=C1 PH010286 [1,0,0,0,0,1|0,0,1]=3 233 B14R1.520 CCOC(=O)CCSC1=CC=CC=N1 TMT00642 [1,0,0,0,0,1|1,0,1]=4 234 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CDS003234 [1,0,0,0,0,1|0,0,1]=3 235 B14R1.520 CCOC(=O)CNCC1=CC=CC=N1 PH011724 [1,0,0,0,0,1|1,0,1]=4 236 B14R1.520 CCOC(=O)N/N=C/C1=CC=CC=C1 S953458 [1,0,0,0,0,1|1,0,0]=3 237 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 S366129 [1,0,0,0,0,1|0,0,1]=3 238 B14R1.100 CCOC(=O)CNC(=O)C1=CC=CO1 L134767 [0,0,0,0,1,1|1,0,0]=3 239 B16R1.929 CCOC(=O)CCCC(=O)C1=CC=CC=C1 S771031 [0,0,0,0,0,2|0,0,0]=2 240 B16R1.934 CCOC(=O)CCC(=O)NC1=CC=CC=C1 R624896 [0,0,0,0,0,2|0,0,0]=2 241 B16R1.934 CCOC(=O)CNC(=O)CC1=CC=CC=C1 R131717 [0,0,0,0,0,2|0,0,0]=2 242 B16R1.934 CCOC(=O)NNC(=O)NC1=CC=CC=C1 S763837 [0,0,0,0,0,2|1,0,0]=3 243 B16R1.1570 CCCC(=O)CC(=O)NCC1=CC=CC=C1 PH015923 [0,0,0,0,0,2|1,0,0]=3 244 B16R1.1570 CCOC(=O)CC(=O)CCC1=CC=CC=C1 PH010301 [0,0,0,0,0,2|0,0,0]=2 245 B16R1.1570 CCOC(=O)CC(C)NCC1=CC=CC=C1 PH012260 [0,0,0,0,0,2|1,0,1]=4