0 B13R1.42 C/C(=C\C#N)/CCC1=CC=CC=C1 R160423 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.42 C=C(CCO)CSC1=CC=CC=C1 T232815 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.42 CC=CC(=O)NCC1=CC=CC=C1 S527947 [0,0,0,0,0,0|2,0,1]=3 3 B13R1.42 CCCC(=O)NCC1=CC=CC=C1 R343269 [0,0,0,0,0,0|2,0,0]=2 4 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 PH007173 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.42 CCCC(O)CSC1=CC=CC=C1 S314021 [0,0,0,0,0,0|2,0,2]=4 6 B13R1.42 CCNC(=O)NNC1=CC=CC=C1 PH007136 [0,0,0,0,0,0|3,0,0]=3 7 B13R1.42 CCNC(=S)NNC1=CC=CC=C1 PH007156 [0,0,0,0,0,0|3,1,0]=4 8 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 PH003746 [0,0,0,0,0,0|1,0,0]=1 9 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 CDS003195 [0,0,0,0,0,0|1,0,0]=1 10 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 PH005137 [0,0,0,0,0,0|1,0,0]=1 11 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 PH011548 [0,0,0,0,0,0|1,0,0]=1 12 B13R1.42 CCOC(=O)NNC1=CC=CC=C1 S512680 [0,0,0,0,0,0|2,0,0]=2 13 B13R1.42 CCSC(=S)NNC1=CC=CC=C1 PH009213 [0,0,0,0,0,0|2,2,0]=4 14 B13R1.42 CN(CCN)CCC1=CC=CC=C1 PH014610 [0,0,0,0,0,0|4,0,0]=4 15 B13R1.42 CNNC(=O)COC1=CC=CC=C1 T151408 [0,0,0,0,0,0|3,0,0]=3 16 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 CDS021500 [0,0,0,0,0,0|3,0,1]=4 17 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 S358282 [0,0,0,0,0,0|3,0,0]=3 18 B13R1.42 O=C(CCO)NNC1=CC=CC=C1 PH007197 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.8 C(=N/NC1=CC=CC=C1)\CCC S848905 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [1,0,0,0,0,0|2,0,1]=4 22 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [1,0,0,0,0,0|2,0,0]=3 23 B12R1.8 CCCNCCC1=NC=CC=C1 VBP00004 [1,0,0,0,0,0|3,0,0]=4 24 B12R1.8 CCNCCCC1=CC=CC=C1 PH014136 [1,0,0,0,0,0|1,0,1]=3 25 B12R1.8 CCNCCOC1=CC=CC=C1 CBR00951 [1,0,0,0,0,0|2,0,1]=4 26 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [1,0,0,0,0,0|0,0,2]=3 27 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [1,0,0,0,0,0|0,0,0]=1 28 B12R1.27 CCC(=O)NNC1=CC=CC=C1 S557188 [1,0,0,0,0,0|2,0,0]=3 29 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [1,0,0,0,0,0|2,0,0]=3 30 B12R1.27 CNC(=O)OCC1=CN=CC=C1 PH009398 [1,0,0,0,0,0|3,0,0]=4 31 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [1,0,0,0,0,0|2,1,0]=4 32 B12R1.27 COC(=O)C=CC1=CC=NC=C1 S409413 [1,0,0,0,0,0|1,0,2]=4 33 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [1,0,0,0,0,0|1,0,0]=2 34 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [1,0,0,0,0,0|1,2,0]=4 35 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [1,0,0,0,0,0|2,0,0]=3 36 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [1,0,0,0,0,0|2,0,0]=3 37 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [1,0,0,0,0,0|3,0,0]=4 38 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [1,0,0,0,0,0|2,0,0]=3 39 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 PH015342 [1,0,0,0,0,0|3,0,0]=4 40 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [1,0,0,0,0,0|1,0,0]=2 41 B14R1.29 CCCN(C)CC(O)C1=CC=CC=C1 PH014920 [0,1,0,0,0,0|3,0,0]=4 42 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 CDS019925 [0,1,0,0,0,0|1,0,1]=3 43 B14R1.29 CCOC(=O)CC(=O)C1=NC=CN=C1 JRD0707 [0,1,0,0,0,0|2,0,1]=4 44 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 CDS011316 [0,1,0,0,0,0|0,0,0]=1 45 B14R1.29 CCOC(=O)CC(N)C1=CC=NC=C1 PH016205 [0,1,0,0,0,0|1,0,0]=2 46 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 S521000 [0,1,0,0,0,0|0,0,0]=1 47 B14R1.29 CCOC(=O)CN(C)C1=CC=CC=C1 PH010482 [0,1,0,0,0,0|1,0,0]=2 48 B14R1.29 CCOC(=O)OC(=O)C1=CC=CC=C1 PH008263 [0,1,0,0,0,0|1,0,1]=3 49 B14R1.29 CCOC(=S)NC(=O)C1=CC=CC=C1 PH002438 [0,1,0,0,0,0|1,1,1]=4 50 B14R1.32 CCOC(=O)C=CC1=CC(=CC=C1)O S84086 [0,1,0,0,0,0|0,0,2]=3 51 B14R1.32 CCOC(=O)CNC1=CC(=CC=C1)Cl L319384 [0,1,0,0,0,0|1,0,0]=2 52 B14R1.32 CCOC(=O)CNC1=CC=CC(=C1)C L449148 [0,1,0,0,0,0|1,0,0]=2 53 B14R1.32 CCOC(=O)COC1=CC(=CC=C1)C PH011247 [0,1,0,0,0,0|1,0,0]=2 54 B14R1.32 CCOC(=O)COC1=CC=CC(=C1)N PH012965 [0,1,0,0,0,0|1,0,0]=2 55 B14R1.60 CCNC(=O)N(C)CC1=CC=CC=C1 S775401 [0,1,0,0,0,0|2,0,0]=3 56 B14R1.60 CCOC(=O)C(=O)CC1=NC=CN=C1 PH007351 [0,1,0,0,0,0|2,0,1]=4 57 B14R1.60 CCOC(=O)C(=O)NC1=CC=NC=C1 PH010474 [0,1,0,0,0,0|2,0,1]=4 58 B14R1.60 CCOC(=O)C(C)SC1=CC=CC=C1 S799912 [0,1,0,0,0,0|1,0,0]=2 59 B14R1.60 CCOC(=O)C(N)CC1=CC=NC=C1 CDS020927 [0,1,0,0,0,0|1,0,0]=2 60 B14R1.156 CCCNC(=O)/C=C/C1=CC=CC=C1 PH006955 [0,1,0,0,0,0|1,0,2]=4 61 B14R1.156 CCCNC(=O)CCC1=NC=CC=C1 PH007774 [0,1,0,0,0,0|2,0,0]=3 62 B14R1.156 CCCNC(=O)COC1=CC=CC=C1 R329312 [0,1,0,0,0,0|2,0,0]=3 63 B14R1.156 CCNCC(=O)NCC1=CC=CC=C1 PH014806 [0,1,0,0,0,0|2,0,0]=3 64 B14R1.156 CCSNC(=O)NCC1=CC=CC=C1 T110957 [0,1,0,0,0,0|1,1,0]=3 65 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 PH016091 [0,1,0,0,0,0|2,0,0]=3 66 B14R1.156 O=C(CCCCl)NCC1=CC=CC=C1 S529494 [0,1,0,0,0,0|2,0,0]=3 67 B14R1.156 O=C(COC1=CC=CC=C1)NCCO S350796 [0,1,0,0,0,0|2,0,0]=3 68 B14R1.156 O=C(NCC1=CC=CC=C1)OCCI PH001946 [0,1,0,0,0,0|1,0,0]=2 69 B14R1.156 O=C(NNC1=CC=CC=C1)OCCCl PH009224 [0,1,0,0,0,0|2,0,0]=3 70 B14R1.502 CCCC(=O)NNC1=CC=C(C=C1)Cl S904759 [0,1,0,0,0,0|3,0,0]=4 71 B14R1.502 CCNC(=O)/C=C/C1=CC=C(C=C1)Cl PH007012 [0,1,0,0,0,0|1,0,2]=4 72 B14R1.502 CCNC(=O)NCC1=CC=C(C=C1)C S900125 [0,1,0,0,0,0|2,0,0]=3 73 B14R1.502 CCOC(=O)/C=C/C1=CC=C(N=C1)Cl ADE000253 [0,1,0,0,0,0|1,0,2]=4 74 B14R1.502 CCOC(=O)/C=C/C1=CC=C(N=C1)N ADE000252 [0,1,0,0,0,0|1,0,2]=4 75 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)O S582131 [0,1,0,0,0,0|0,0,0]=1 76 B14R1.502 CCOC(=O)CNC1=CC=C(C=C1)Br PH009987 [0,1,0,0,0,0|1,0,0]=2 77 B14R1.502 CCOC(=O)CNC1=CC=C(C=C1)Cl PH011710 [0,1,0,0,0,0|1,0,0]=2 78 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl PH010408 [0,1,0,0,0,0|1,0,0]=2 79 B14R1.502 CCOC(=O)COC1=CC=C(N=C1)C S447803 [0,1,0,0,0,0|2,0,0]=3 80 B14R1.502 CNCC(=O)NCC1=CC=C(C=C1)F PH017400 [0,1,0,0,0,0|3,0,0]=4 81 B14R1.598 CCOC(=O)/C=C/C1=C(C=CC=C1)Cl PH003227 [0,1,0,0,0,0|0,0,2]=3 82 B14R1.598 CCOC(=O)/C=C/C1=CC=CN=C1Cl ADE000261 [0,1,0,0,0,0|1,0,2]=4 83 B14R1.598 CCOC(=O)CCC1=CC=CC=C1Br PH000463 [0,1,0,0,0,0|0,0,0]=1 84 B14R1.598 CCOC(=O)CNC1=CC=CC=C1Cl PH010545 [0,1,0,0,0,0|1,0,0]=2 85 B14R1.598 CCOC(=O)COC1=C(C=CC=C1)Cl PH010406 [0,1,0,0,0,0|1,0,0]=2 86 B14R1.756 CCC(N)C(=O)OCC1=CC=CC=C1 S789259 [0,1,0,0,0,0|2,0,0]=3 87 B14R1.756 CC[C@@H](N)C(=O)OCC1=CC=CC=C1 S790133 [0,1,0,0,0,0|2,0,0]=3 88 B14R1.756 CNC(=O)C(=O)NCC1=CC=CC=C1 PH002913 [0,1,0,0,0,0|3,0,0]=4 89 B14R1.818 CC(=CC(=O)OCC1=CC=CC=C1)C PH000990 [0,1,0,0,0,0|2,0,1]=4 90 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 S357170 [0,1,0,0,0,0|2,0,1]=4 91 B14R1.818 CC(=O)OC(C)CCC1=CC=CC=C1 S460575 [0,1,0,0,0,0|1,0,2]=4 92 B14R1.818 CC(C)CC(=O)C=CC1=CC=CC=C1 S411019 [0,1,0,0,0,0|1,0,2]=4 93 B14R1.818 CC(C)CC(=O)CCC1=CC=CC=C1 S411000 [0,1,0,0,0,0|1,0,0]=2 94 B14R1.818 CC(C)NC(=O)/C=C/C1=CC=CC=C1 PH006948 [0,1,0,0,0,0|1,0,2]=4 95 B14R1.818 CC(C)NC(=O)NCC1=CC=CC=C1 S698482 [0,1,0,0,0,0|2,0,0]=3 96 B14R1.818 CC(C)OC(=O)/C=C/C1=CC=CC=C1 S888907 [0,1,0,0,0,0|0,0,2]=3 97 B14R1.6829 CC#CS(=O)(=O)CCC1=CC=CC=C1 S778281 [0,1,0,0,0,0|2,0,1]=4 98 B14R1.6829 CCCS(=O)(=O)CCC1=CC=CC=N1 PH012268 [0,1,0,0,0,0|3,0,0]=4 99 B14R2.21 O=C1CCCC(N1)C2=CC=CC=C2 T313149 [0,0,0,1,0,0|2,0,0]=3 100 B14R2.21 O=C1CCCC(N1)C2=CC=CN=C2 T315982 [0,0,0,1,0,0|3,0,0]=4 101 B14R2.21 O=C1CCCN(N1)C2=CC=CC=C2 S274887 [0,0,0,1,0,0|3,0,0]=4 102 B14R2.21 O=C1COC[C@H](N1)C2=CC=CC=C2 KOB0138 [0,0,0,1,0,0|3,0,0]=4 103 B14R2.30 N[C@@H]1CCC[C@@H]1CC2=CC=CC=C2 PH018573 [0,0,0,1,0,0|2,0,1]=4 104 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 S134104 [0,0,0,1,0,0|1,0,0]=2 105 B14R2.30 O=C1CCCN1CC2=CN=CC=C2 PH007447 [0,0,0,1,0,0|3,0,0]=4 106 B14R2.52 CC1NC(=O)COC2=C1C=CC=C2 R733776 [0,0,0,1,0,0|2,0,0]=3 107 B14R2.101 C1=CC=C(C=C1)CSC2=NCCN2 PH011808 [0,0,0,1,0,0|3,0,0]=4 108 B14R2.112 CCOC1=NC2=CC=CC=C2C=C1 T160180 [0,0,0,1,0,0|1,0,2]=4 109 B14R2.112 CCOC1=NC2=CC=CC=C2OC1 PH001429 [0,0,0,1,0,0|2,0,0]=3 110 B14R2.203 CCN1C(=O)C=CC2=C1C=CC=C2 S982296 [0,0,0,1,0,0|1,0,2]=4 111 B14R2.280 O=C1CCC2=CC=CC=C2CCN1 T176400 [0,0,0,1,0,0|1,0,0]=2 112 B14R2.598 CC1CC(=O)NN1C2=CC=CC=C2 S582832 [0,0,0,1,0,0|3,0,0]=4 113 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 PH007913 [0,0,0,1,0,0|1,0,0]=2 114 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 PH000361 [0,0,0,1,0,0|2,0,0]=3 115 B14R2.598 O=C1CC(C(=O)N1)C2=CC=CC=C2 S841420 [0,0,0,1,0,0|2,0,1]=4 116 B14R2.2899 O=C(/C=C/C1=CC=CC=C1)C2CC2 S621102 [0,0,0,1,0,0|1,0,2]=4 117 B14R2.2899 O=C(CSC1=CC=CC=C1)C2CC2 T245402 [0,0,0,1,0,0|2,0,0]=3 118 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [0,0,0,0,1,0|1,0,2]=4 119 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [0,0,0,0,1,0|1,0,0]=2 120 B12R1.32 CCNC(=O)NC1=CC=CC=C1 S591637 [0,0,0,0,1,0|2,0,0]=3 121 B12R1.32 CCNC(=S)NC1=CC=CC=C1 S599166 [0,0,0,0,1,0|2,1,0]=4 122 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 L497142 [0,0,0,0,1,0|1,0,0]=2 123 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 S343471 [0,0,0,0,1,0|1,0,0]=2 124 B12R1.32 CCOC(=O)NC1=CC=CC=C1 S714615 [0,0,0,0,1,0|1,0,0]=2 125 B12R1.32 CCOC(=O)NC1=CC=CC=N1 PH000186 [0,0,0,0,1,0|2,0,0]=3 126 B12R1.32 CCOC(=O)NC1=CN=CC=C1 EME00390 [0,0,0,0,1,0|2,0,0]=3 127 B12R1.32 CCOC(=O)OC1=CC=CC=C1 S509043 [0,0,0,0,1,0|1,0,0]=2 128 B12R1.32 CCOC(=S)NC1=CC=CC=C1 S412716 [0,0,0,0,1,0|1,1,0]=3 129 B12R1.32 NCCC(=O)NC1=CC=CC=C1 CBR00894 [0,0,0,0,1,0|3,0,0]=4 130 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 PH014668 [0,0,0,0,1,0|3,0,0]=4 131 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 T281719 [0,0,0,0,1,0|3,0,0]=4 132 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [0,0,0,0,1,0|2,0,1]=4 133 B12R1.51 CCOC(=O)CCN1C=CC=C1 PH010765 [0,0,0,0,1,0|1,0,0]=2 134 B14R1.520 CCCC(=O)NCCC1=CC=CC=C1 R343404 [0,0,0,0,0,1|1,0,0]=2 135 B14R1.520 CCOC(=O)/C=C/NC1=CC=CC=C1 PH000578 [0,0,0,0,0,1|0,0,2]=3 136 B14R1.520 CCOC(=O)/C=N/NC1=CC=CC=C1 PH003756 [0,0,0,0,0,1|1,0,1]=3 137 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 S349542 [0,0,0,0,0,1|0,0,0]=1 138 B14R1.520 CCOC(=O)CCOC1=CC=CC=C1 S380792 [0,0,0,0,0,1|0,0,0]=1 139 B14R1.520 CCOC(=O)CCSC1=CC=CC=C1 PH010286 [0,0,0,0,0,1|0,0,0]=1 140 B14R1.520 CCOC(=O)CCSC1=CC=CC=N1 TMT00642 [0,0,0,0,0,1|1,0,0]=2 141 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CDS003234 [0,0,0,0,0,1|0,0,0]=1 142 B14R1.520 CCOC(=O)CNCC1=CC=CC=N1 PH011724 [0,0,0,0,0,1|1,0,0]=2 143 B14R1.520 CCOC(=O)N/N=C/C1=CC=CC=C1 S953458 [0,0,0,0,0,1|1,0,1]=3 144 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 S366129 [0,0,0,0,0,1|0,0,0]=1 145 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [2,0,0,0,0,0|1,0,1]=4 146 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [2,0,0,0,0,0|1,0,1]=4 147 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [2,0,0,0,0,0|1,0,1]=4 148 B11R1.28 CCNCCC1=CC=CC=N1 S361453 [2,0,0,0,0,0|2,0,0]=4 149 B11R1.28 CCNCCC1=CC=NC=C1 OTV000969 [2,0,0,0,0,0|2,0,0]=4 150 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [2,0,0,0,0,0|0,0,1]=3 151 B11R1.28 CCOCCC1=CC=CC=N1 S361402 [2,0,0,0,0,0|1,0,0]=3 152 B11R1.28 CCOCCC1=CC=NC=C1 S368741 [2,0,0,0,0,0|1,0,0]=3 153 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [2,0,0,0,0,0|1,0,1]=4 154 B11R1.28 COCCOC1=CC=CC=C1 S793000 [2,0,0,0,0,0|1,0,1]=4 155 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [2,0,0,0,0,0|1,0,1]=4 156 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [2,0,0,0,0,0|2,0,0]=4 157 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [2,0,0,0,0,0|2,0,0]=4 158 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [2,0,0,0,0,0|2,0,0]=4 159 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [2,0,0,0,0,0|1,0,0]=3 160 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [2,0,0,0,0,0|2,0,0]=4 161 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [2,0,0,0,0,0|2,0,0]=4 162 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [2,0,0,0,0,0|1,0,1]=4 163 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [2,0,0,0,0,0|2,0,0]=4 164 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [2,0,0,0,0,0|2,0,0]=4 165 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [2,0,0,0,0,0|2,0,0]=4 166 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [2,0,0,0,0,0|2,0,0]=4 167 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [2,0,0,0,0,0|2,0,0]=4 168 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [2,0,0,0,0,0|0,0,2]=4 169 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [2,0,0,0,0,0|1,0,0]=3 170 B11R1.91 O=C(O)CCC1=NC=CC=N1 S217417 [2,0,0,0,0,0|2,0,0]=4 171 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [2,0,0,0,0,0|2,0,0]=4 172 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [2,0,0,0,0,0|2,0,0]=4 173 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [2,0,0,0,0,0|2,0,0]=4 174 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [2,0,0,0,0,0|1,0,1]=4 175 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [2,0,0,0,0,0|1,0,1]=4 176 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [2,0,0,0,0,0|2,0,0]=4 177 B13R1.9 CCCCCCC1=CC=C(C=C1)O CDS000247 [1,1,0,0,0,0|1,0,1]=4 178 B13R1.28 BrCC/C=C/CSC1=CC=CC=C1 T245429 [1,1,0,0,0,0|2,0,0]=4 179 B13R1.28 CCCNCCOC1=CC=CC=C1 PH013289 [1,1,0,0,0,0|2,0,0]=4 180 B13R1.28 ClCCCCCCC1=CC=CC=C1 PH000050 [1,1,0,0,0,0|1,0,1]=4 181 B13R1.28 OC/C=C/COCC1=CC=CC=C1 T274372 [1,1,0,0,0,0|2,0,0]=4 182 B13R1.44 CCCCC(O)CC1=CC=CC=C1 S782025 [1,1,0,0,0,0|1,0,1]=4 183 B13R1.555 CCCCCCC1=C(C=CC=C1)O PH007151 [1,1,0,0,0,0|1,0,1]=4 184 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 PH010030 [1,1,0,0,0,0|2,0,0]=4 185 B13R1.11 CC(NC(=O)CI)C1=CC=CC=C1 L318957 [1,1,0,0,0,0|2,0,0]=4 186 B13R1.11 CCN(C)CC(O)C1=CC=CC=C1 PH014915 [1,1,0,0,0,0|2,0,0]=4 187 B13R1.11 CNC(=O)CC(O)C1=CC=CC=C1 R127094 [1,1,0,0,0,0|1,0,0]=3 188 B13R1.11 COC(=O)/C=C(/C)\C1=CC=CC=C1 S882089 [1,1,0,0,0,0|0,0,2]=4 189 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 OTV000182 [1,1,0,0,0,0|0,0,1]=3 190 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CDS021823 [1,1,0,0,0,0|0,0,0]=2 191 B13R1.11 NNC(=O)CC(O)C1=CC=CC=C1 PH008854 [1,1,0,0,0,0|2,0,0]=4 192 B13R1.11 [C@H](C)(CC(=O)NN)C1=CC=CC=C1 T203815 [1,1,0,0,0,0|2,0,0]=4 193 B13R1.14 CC1=CC=C(C=C1)CNC(=O)CCl TMT00603 [1,1,0,0,0,0|2,0,0]=4 194 B13R1.14 CCC(=O)C=CC1=CC=C(C=C1)C S450049 [1,1,0,0,0,0|0,0,2]=4 195 B13R1.14 CNC(=O)OCC1=CC=C(C=C1)Cl PH009074 [1,1,0,0,0,0|2,0,0]=4 196 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Br S931675 [1,1,0,0,0,0|0,0,2]=4 197 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Cl S880671 [1,1,0,0,0,0|0,0,2]=4 198 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)O KOB0128 [1,1,0,0,0,0|0,0,2]=4 199 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br EME00079 [1,1,0,0,0,0|1,0,0]=3 200 B13R1.14 COC(=O)COC1=CC=C(C=C1)Cl PH009782 [1,1,0,0,0,0|1,0,0]=3 201 B13R1.14 COC(=O)COC1=CC=C(C=C1)N CDS020172 [1,1,0,0,0,0|1,0,0]=3 202 B13R1.14 COC(=O)CSC1=CC=C(C=C1)Cl S620173 [1,1,0,0,0,0|1,0,0]=3 203 B13R1.14 O=C(CCl)NCC1=CC=C(C=C1)Cl TMT00613 [1,1,0,0,0,0|2,0,0]=4 204 B13R1.14 O=C(CCl)OCC1=CC=C(C=C1)Cl S34968 [1,1,0,0,0,0|2,0,0]=4 205 B13R1.15 CNC(=O)COC1=CC(=CC=C1)Br EME00143 [1,1,0,0,0,0|2,0,0]=4 206 B13R1.15 COC(=O)/C=C/C1=CC(=CC=C1)C EME00166 [1,1,0,0,0,0|0,0,2]=4 207 B13R1.135 COC(=O)C(C)OC1=CC=CC=C1 JRD1262 [1,1,0,0,0,0|1,0,0]=3 208 B13R1.135 COC(=O)C(C)SC1=CC=CC=C1 S620203 [1,1,0,0,0,0|1,0,0]=3 209 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 PH011323 [1,1,0,0,0,0|0,0,0]=2 210 B13R1.135 COC(=O)C(N)CC1=NC=CC=C1 PH019122 [1,1,0,0,0,0|1,0,0]=3 211 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [1,1,0,0,0,0|0,0,0]=2 212 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 PH009923 [1,1,0,0,0,0|0,0,0]=2 213 B13R1.135 COC(=O)[C@H](N)CC1=CC=CN=C1 CDS006818 [1,1,0,0,0,0|1,0,0]=3 214 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 S349356 [1,1,0,0,0,0|0,0,2]=4 215 B13R1.351 C=C(C)C(=O)NCC1=CC=CC=C1 S529591 [1,1,0,0,0,0|1,0,1]=4 216 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 PH009541 [1,1,0,0,0,0|1,0,1]=4 217 B13R1.351 CC(Br)C(=O)OCC1=CC=CC=C1 PH008809 [1,1,0,0,0,0|1,0,0]=3 218 B13R1.351 CC(C)C(=O)/C=C/C1=CC=CC=C1 R252786 [1,1,0,0,0,0|0,0,2]=4 219 B13R1.351 CC(C)C(=O)CCC1=CC=CC=C1 PH000319 [1,1,0,0,0,0|0,0,0]=2 220 B13R1.351 CC(C)C(=O)NCC1=CC=CC=C1 R343803 [1,1,0,0,0,0|1,0,0]=3 221 B13R1.351 CC(C)C(=O)NCC1=CC=CN=C1 T321559 [1,1,0,0,0,0|2,0,0]=4 222 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 S240338 [1,1,0,0,0,0|1,0,0]=3 223 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 S949906 [1,1,0,0,0,0|1,0,0]=3 224 B13R1.351 CC(O)C(=O)O[Hg]C1=CC=CC=C1 S354589 [1,1,0,0,0,0|2,0,0]=4 225 B13R1.351 O=C(NCC1=CC=CC=C1)C(Cl)Cl PH007159 [1,1,0,0,0,0|2,0,0]=4 226 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CDS007841 [1,1,0,0,0,0|1,0,1]=4 227 B13R1.528 CCC(=O)/C=C/C1=CC=CC=C1O L255661 [1,1,0,0,0,0|0,0,2]=4 228 B13R1.528 CNC(=O)COC1=CC=CC=C1Br CDS005859 [1,1,0,0,0,0|2,0,0]=4 229 B13R1.528 COC(=O)/C=C/C1=C(C=CC=C1)O PH004658 [1,1,0,0,0,0|0,0,2]=4 230 B13R1.528 COC(=O)CCC1=C(C=CC=C1)O CDS015224 [1,1,0,0,0,0|0,0,0]=2 231 B13R1.528 O=C(CCl)NCC1=C(C=CC=C1)Cl TMT00609 [1,1,0,0,0,0|2,0,0]=4 232 B13R1.19 CCCC(=O)CC1=CC=C(C=C1)Cl ASX00033 [0,1,0,0,1,0|1,0,0]=3 233 B13R1.19 CCCC(=O)NC1=CC=C(C=C1)C R343293 [0,1,0,0,1,0|2,0,0]=4 234 B13R1.19 CCCC(=O)NC1=CC=C(C=C1)N R703184 [0,1,0,0,1,0|2,0,0]=4 235 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)Br S628255 [0,1,0,0,1,0|2,0,0]=4 236 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)C S644285 [0,1,0,0,1,0|2,0,0]=4 237 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)Cl S279846 [0,1,0,0,1,0|2,0,0]=4 238 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)Cl S591521 [0,1,0,0,1,0|2,0,0]=4 239 B13R1.19 CCNC(=O)OC1=CC=C(C=C1)C S690589 [0,1,0,0,1,0|2,0,0]=4 240 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Cl S668745 [0,1,0,0,1,0|0,0,0]=2 241 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)N PH009742 [0,1,0,0,1,0|0,0,0]=2 242 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)O PH011119 [0,1,0,0,1,0|0,0,0]=2 243 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)Br S666599 [0,1,0,0,1,0|1,0,0]=3 244 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)C S643963 [0,1,0,0,1,0|1,0,0]=3 245 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)Cl S361577 [0,1,0,0,1,0|1,0,0]=3 246 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)N CBR00185 [0,1,0,0,1,0|1,0,0]=3 247 B13R1.19 CCOC(=O)OC1=CC=C(C=C1)Cl PH008708 [0,1,0,0,1,0|1,0,0]=3 248 B13R1.20 CCCC(=O)NC1=CC(=CC=C1)F S732389 [0,1,0,0,1,0|2,0,0]=4 249 B13R1.20 CCCC(=O)NC1=CC(=CC=C1)N R703192 [0,1,0,0,1,0|2,0,0]=4 250 B13R1.20 CCNC(=O)NC1=CC(=CC=C1)C S646628 [0,1,0,0,1,0|2,0,0]=4 251 B13R1.20 CCNC(=O)NC1=CC=CC(=C1)Br S711098 [0,1,0,0,1,0|2,0,0]=4 252 B13R1.20 CCNC(=O)NC1=CC=CC(=C1)Cl S623717 [0,1,0,0,1,0|2,0,0]=4 253 B13R1.20 CCOC(=O)CC1=CC=CC(=N1)N CDS021059 [0,1,0,0,1,0|1,0,0]=3 254 B13R1.20 CCOC(=O)NC1=CC(=CC=C1)Cl S361569 [0,1,0,0,1,0|1,0,0]=3 255 B13R1.20 CCOC(=O)NC1=CC=CC(=C1)N CBR02372 [0,1,0,0,1,0|1,0,0]=3 256 B13R1.20 CCOC(=O)OC1=CC=CC(=C1)C S590789 [0,1,0,0,1,0|1,0,0]=3 257 B13R1.47 CCOC(=N)C(Cl)C1=CC=CC=C1 S767735 [0,1,0,0,1,0|1,0,0]=3 258 B13R1.47 CCOC(=O)N(C)C1=CC=CC=C1 S353396 [0,1,0,0,1,0|1,0,0]=3 259 B13R1.47 CCOC(=O)N(O)C1=CC=CC=C1 S857505 [0,1,0,0,1,0|1,0,0]=3 260 B13R1.348 CC(C)NC(=O)NC1=CC=CC=C1 S613193 [0,1,0,0,1,0|2,0,0]=4 261 B13R1.348 CC(C)OC(=O)NC1=CC=NC=C1 R425346 [0,1,0,0,1,0|2,0,0]=4 262 B13R1.348 CC(C)SC(=O)NC1=CC=CC=C1 S643939 [0,1,0,0,1,0|1,1,0]=4 263 B13R1.348 CC(Cl)OC(=O)SC1=CC=CC=C1 S898910 [0,1,0,0,1,0|1,0,0]=3 264 B13R1.470 CCCC(=O)CC1=CC=CC=C1F ASX00046 [0,1,0,0,1,0|1,0,0]=3 265 B13R1.470 CCNC(=O)CC1=CC=CC=C1Br CDS023697 [0,1,0,0,1,0|1,0,0]=3 266 B13R1.470 CCNC(=O)NC1=C(C=CC=C1)C S640336 [0,1,0,0,1,0|2,0,0]=4 267 B13R1.470 CCNC(=O)NC1=CC=CC=C1Cl S595683 [0,1,0,0,1,0|2,0,0]=4 268 B13R1.470 CCOC(=O)CC1=C(C=CC=C1)Br PH009974 [0,1,0,0,1,0|0,0,0]=2 269 B13R1.470 CCOC(=O)CN1N=CC=CC1=O PH007725 [0,1,0,0,1,0|2,0,0]=4 270 B13R1.470 CCOC(=O)NC1=C(C=CC=C1)C S644102 [0,1,0,0,1,0|1,0,0]=3 271 B13R1.470 CCOC(=O)NC1=C(C=CC=C1)Cl S595357 [0,1,0,0,1,0|1,0,0]=3 272 B13R1.1327 CCO[Si](Cl)(Cl)CC1=CC=CC=C1 S584649 [0,1,0,0,1,0|1,1,0]=4 273 B13R1.33 CCOC(=O)CC(=O)C1=CC=CS1 PH003570 [0,1,0,0,1,0|1,0,1]=4 274 B15R1.11 CCCC(=O)NCCC1=CC=C(C=C1)Br R343331 [0,1,0,0,0,1|1,0,0]=3 275 B15R1.11 CCOC(=O)CCNC1=CC=C(C=C1)Br PH010618 [0,1,0,0,0,1|0,0,0]=2 276 B15R1.11 CCOC(=O)CCNC1=CC=C(C=C1)Cl PH010337 [0,1,0,0,0,1|0,0,0]=2 277 B15R1.11 CCOC(=O)CNCC1=CC=C(C=C1)Cl PH010757 [0,1,0,0,0,1|0,0,0]=2 278 B15R1.89 CCOC(=O)CNC(=O)C1=CC=CC=C1 S677612 [0,1,0,0,0,1|0,0,1]=3 279 B15R1.89 CCOC(=O)N/N=C(\C)/C1=CC=CC=C1 S17281 [0,1,0,0,0,1|1,0,1]=4 280 B15R1.89 CCOC(=O)NNC(C)C1=CC=CC=C1 PH000307 [0,1,0,0,0,1|1,0,0]=3 281 B15R1.157 N#CCCC(=O)NCCC1=CC=CC=C1 S883190 [0,1,0,0,0,1|1,0,1]=4 282 B15R1.633 CCOC(=O)NNCC1=CC=CC(=C1)N PH007758 [0,1,0,0,0,1|1,0,0]=3 283 B15R1.809 CC(CC1=CC=CC=C1)NC(=O)CCCl S529559 [0,1,0,0,0,1|2,0,0]=4 284 B15R1.809 CCOC(=O)C=C(C)NC1=CC=CC=C1 S361488 [0,1,0,0,0,1|0,0,2]=4 285 B15R1.809 CCOC(=O)CC(C)NC1=CC=CC=C1 PH010336 [0,1,0,0,0,1|0,0,0]=2 286 B15R1.826 CCOC(=O)/C(=N/NC1=CC=CC=C1)/C R260649 [0,1,0,0,0,1|1,0,1]=4 287 B15R1.826 CCOC(=O)/C(=N\NC1=CC=CC=C1)/Cl S291803 [0,1,0,0,0,1|1,0,1]=4 288 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 PH014393 [0,1,0,0,0,1|0,0,0]=2 289 B15R1.1252 CCOC(=O)NOCC1=C(C=CC=C1)Cl S893161 [0,1,0,0,0,1|1,0,0]=3 290 B15R1.1321 CCC(Br)C(=O)NCCC1=CC=CC=C1 PH015157 [0,1,0,0,0,1|1,0,0]=3 291 B15R1.23 CCOC(=O)CC(N)C1=CC=C(C=C1)C PH015772 [0,2,0,0,0,0|0,0,0]=2 292 B15R1.23 CCOC(=O)CC(N)C1=CC=C(C=C1)Cl PH016707 [0,2,0,0,0,0|0,0,0]=2 293 B15R1.23 CCOC(=O)CS(=O)C1=CC=C(C=C1)Cl T267449 [0,2,0,0,0,0|1,0,0]=3 294 B15R1.24 CCOC(=O)CC(N)C1=CC(=CC=C1)C PH014909 [0,2,0,0,0,0|0,0,0]=2 295 B15R1.24 CCOC(=O)CC(N)C1=CC(=CC=C1)Cl PH018214 [0,2,0,0,0,0|0,0,0]=2 296 B15R1.115 CCCNC(=O)CC(C)C1=CC=CC=C1 R348759 [0,2,0,0,0,0|1,0,0]=3 297 B15R1.578 CCOC(=O)C(Br)C(=O)C1=CC=NC=C1 PH014941 [0,2,0,0,0,0|1,0,1]=4 298 B15R1.578 CCOC(=O)C(Br)C(=O)C1=NC=CC=C1 PH015902 [0,2,0,0,0,0|1,0,1]=4 299 B15R1.578 CCOC(=O)C(Br)C(Br)C1=CC=CC=C1 S616729 [0,2,0,0,0,0|0,0,0]=2 300 B15R1.578 CCOC(=O)[C@H](O)[C@@H](N)C1=CC=CC=C1 PH016268 [0,2,0,0,0,0|0,0,0]=2 301 B15R1.1257 CCOC(=O)C=C(O[TlH2])C1=CC=CC=C1 S443662 [0,2,0,0,0,0|0,0,2]=4 302 B15R1.3722 CCOC(=O)CC(N)C1=CC=CC=C1C PH018213 [0,2,0,0,0,0|0,0,0]=2 303 B15R1.3722 CCOC(=O)CC(N)C1=CC=CC=C1Cl PH015718 [0,2,0,0,0,0|0,0,0]=2 304 B15R1.27 CCOC(=O)CNC1=CC=CC(=C1C)C T108332 [0,2,0,0,0,0|1,0,0]=3 305 B15R1.27 CCOC(=O)COC1=CC=CC(=C1Cl)Cl S529281 [0,2,0,0,0,0|1,0,0]=3 306 B15R1.49 CCOC(=O)C(=O)NC1=CC=CC(=C1)Cl PH006849 [0,2,0,0,0,0|1,0,1]=4 307 B15R1.49 CCOC(=O)C(=O)NC1=CC=CC(=C1)N PH009297 [0,2,0,0,0,0|1,0,1]=4 308 B15R1.10389 CCOC(=O)/C=C/C1=CC(=CC=C1)C#N PH008540 [0,2,0,0,0,0|0,0,2]=4 309 B15R1.10390 CCOC(=O)/C=C/C1=CC(=C(C=C1)O)O CDS000693 [0,2,0,0,0,0|0,0,2]=4 310 B15R1.10390 CCOC(=O)CCC1=CC(=C(C=C1)O)O R751030 [0,2,0,0,0,0|0,0,0]=2 311 B15R1.10390 CCOC(=O)OCC1=CC=C(C(=C1)Cl)Cl PH008723 [0,2,0,0,0,0|1,0,0]=3 312 B15R1.48 CCNC(=O)N(C)CC1=CC=C(C=C1)Cl S795615 [0,2,0,0,0,0|2,0,0]=4 313 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(C=C1)Br R626988 [0,2,0,0,0,0|1,0,1]=4 314 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(C=C1)C S448370 [0,2,0,0,0,0|1,0,1]=4 315 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(C=C1)Cl R284637 [0,2,0,0,0,0|1,0,1]=4 316 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(C=C1)F R613959 [0,2,0,0,0,0|1,0,1]=4 317 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(C=C1)O S931381 [0,2,0,0,0,0|1,0,1]=4 318 B15R1.78 CCCCNC(=O)COC1=CC=CC=C1 R344524 [0,2,0,0,0,0|2,0,0]=4 319 B15R1.78 CCCCNC(=O)OCC1=CC=CC=C1 S898015 [0,2,0,0,0,0|2,0,0]=4 320 B15R1.78 O=C(COC1=CC=CC=C1)NCCCO L131024 [0,2,0,0,0,0|2,0,0]=4 321 B15R1.139 CCCNC(=O)CCC1=CC=C(C=C1)O T159727 [0,2,0,0,0,0|1,0,0]=3 322 B15R1.139 CCNCC(=O)NCC1=CC=C(C=C1)F PH014815 [0,2,0,0,0,0|2,0,0]=4 323 B15R1.139 CCNNC(=O)COC1=CC=C(C=C1)Cl T151416 [0,2,0,0,0,0|2,0,0]=4 324 B15R1.741 CCC(C)OC(=O)/C=C/C1=CC=CC=C1 PH000647 [0,2,0,0,0,0|0,0,2]=4 325 B15R1.5919 CC(=O)CCC(=O)OCC1=CC=CC=C1 S643408 [0,2,0,0,0,0|2,0,0]=4 326 B15R1.5919 O=C(O)CNC(=O)CCC1=CC=CC=C1 PH011135 [0,2,0,0,0,0|1,0,1]=4 327 B15R1.791 CCNC(=O)COC1=CC=C(C=C1Br)Br R631159 [0,2,0,0,0,0|2,0,0]=4 328 B15R1.791 CCNC(=O)COC1=CC=C(C=C1Cl)Cl R631140 [0,2,0,0,0,0|2,0,0]=4 329 B15R1.791 CCOC(=O)COC1=C(C=C(C=C1)Br)Br R340251 [0,2,0,0,0,0|1,0,0]=3 330 B15R1.793 CCCC(=O)NCC1=CC=C(C=C1)OC R343315 [0,2,0,0,0,0|2,0,0]=4 331 B15R1.793 CCCC(=O)OCC1=CC=C(C=C1)OC S679488 [0,2,0,0,0,0|2,0,0]=4 332 B15R1.793 CCNC(=O)COC1=CC=C(C=C1)C=O EME00089 [0,2,0,0,0,0|2,0,0]=4 333 B15R1.793 CCOC(=N)COC1=CC=C(C=C1)OC T284963 [0,2,0,0,0,0|2,0,0]=4 334 B15R1.793 CCOC(=O)/C=C/C1=CC=C(C=C1)OC S554189 [0,2,0,0,0,0|0,0,2]=4 335 B15R1.793 CCOC(=O)CCC1=CC=C(C=C1)OC PH000381 [0,2,0,0,0,0|0,0,0]=2 336 B15R1.1001 CCC(Br)C(=O)NCC1=CC=C(C=C1)C PH015154 [0,2,0,0,0,0|2,0,0]=4 337 B15R1.768 CCOC(=O)CNC1=C(C=CC=C1)C#N PH000151 [0,2,0,0,0,0|1,0,0]=3 338 B15R1.768 CCOC(=O)COC1=CC=CC=C1C#N R299855 [0,2,0,0,0,0|1,0,0]=3 339 B15R1.768 CCOC(=O)COC1=CC=CC=C1C=O PH000098 [0,2,0,0,0,0|1,0,0]=3 340 B15R1.36731 CCOC(=O)/C=C/C1=C(C=CC=C1Cl)Cl S550795 [0,2,0,0,0,0|0,0,2]=4 341 B15R1.488 CCN(CC)C(=O)CNC1=CC=CC=C1 PH010842 [0,2,0,0,0,0|2,0,0]=4 342 B15R1.488 CCN(CC)C(=O)CSC1=CC=CC=C1 PH009685 [0,2,0,0,0,0|2,0,0]=4 343 B15R1.3678 CC(C)C(N)C(=O)OCC1=CC=CC=C1 S783250 [0,2,0,0,0,0|2,0,0]=4 344 B15R1.3678 CC(C)C(N)C(=O)OCC1=CC=CC=C1 S783919 [0,2,0,0,0,0|2,0,0]=4 345 B15R1.3465 CC(C)(C)NC(=O)COC1=CC=CC=C1 R344745 [0,2,0,0,0,0|2,0,0]=4 346 B15R1.3465 CC(C)(C)NC(=O)NCC1=CC=CC=C1 S715549 [0,2,0,0,0,0|2,0,0]=4 347 B15R1.3465 CC(C)(C)NC(=O)NCC1=CC=CC=C1 S899836 [0,2,0,0,0,0|2,0,0]=4 348 B13R2.3 C1=CC(=CC=N1)C2CCOCC2 S546267 [1,0,0,1,0,0|1,0,1]=4 349 B13R2.3 C1=CC=C(C=C1)C2CC=CCC2 CDS000056 [1,0,0,1,0,0|1,0,0]=3 350 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 CDS006181 [1,0,0,1,0,0|2,0,0]=4 351 B13R2.3 C1=CCC(CC1)C2=CC=NC=C2 PH000146 [1,0,0,1,0,0|2,0,0]=4 352 B13R2.15 CC1NCCC1C2=CC=CC=C2 PH012643 [1,0,0,1,0,0|1,0,1]=4 353 B13R2.64 C1=CC=C(C=C1)CN2CCOC2 CDS000096 [1,0,0,1,0,0|1,0,1]=4 354 B13R2.64 C1=CC=C(C=C1)SC2=COCC2 T251194 [1,0,0,1,0,0|1,0,1]=4 355 B13R2.64 C1=CC=C(C=C1)SC2C=CCC2 T278858 [1,0,0,1,0,0|2,0,0]=4 356 B13R2.67 C1=CC=C2CCCCCCC2=C1 T170933 [1,0,0,1,0,0|1,0,1]=4 357 B13R2.1613 CCC1NCCC2=C1C=CC=C2 PH016245 [1,0,0,1,0,0|2,0,0]=4 358 B13R2.10 O=C1CSC(N1)C2=CC=CC=C2 PH010364 [1,0,0,1,0,0|2,0,0]=4 359 B13R2.32 CN1C(=O)CSC2=CC=CC=C12 T313084 [1,0,0,1,0,0|2,0,0]=4 360 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [1,0,0,1,0,0|0,0,2]=4 361 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 T199613 [1,0,0,1,0,0|0,0,0]=2 362 B13R2.33 O=C1CNC2=CC=CC=C2CN1 CDS003920 [1,0,0,1,0,0|2,0,0]=4 363 B13R2.57 CCC1=NC2=CC=CC=C2CN1 PH013509 [1,0,0,1,0,0|2,0,0]=4 364 B13R2.26 CCOC1=NC2=C(S1)C=CC=C2 S822531 [0,0,0,1,1,0|1,1,0]=4 365 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 T203084 [0,0,0,1,1,0|1,0,0]=3 366 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T167568 [0,0,0,1,1,0|2,0,0]=4 367 B13R2.444 O=C(CC1=NC=CC=C1)C2CC2 PH010139 [0,0,0,1,1,0|2,0,0]=4 368 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 S367249 [0,0,0,1,0,1|0,0,0]=2 369 B15R2.2349 CCN1C(=O)CSC1C2=CC=CC=C2 PH001049 [0,0,0,1,0,1|1,0,0]=3 370 B15R2.27 NC1=CC(=O)CC(C1)C2=CC=CC=C2 L510076 [0,1,0,1,0,0|1,0,1]=4 371 B15R2.395 O=C1CCCC1C(=O)C2=CC=CC=C2 R174270 [0,1,0,1,0,0|1,0,1]=4 372 B15R2.5773 CCN1C(=O)COC2=CC(=CC=C12)N CBR01552 [0,1,0,1,0,0|2,0,0]=4 373 B15R2.38 O=C1CCCCC1NC2=CC=CC=C2 CBR01766 [0,1,0,1,0,0|2,0,0]=4 374 B15R2.38 O=C1CNCCN1CC2=CC=CC=C2 CDS020278 [0,1,0,1,0,0|2,0,0]=4 375 B15R2.212 CCN1C(=O)C(C1C2=CC=CC=C2)C S838365 [0,1,0,1,0,0|1,0,0]=3 376 B15R2.16 CCC1NC(=O)CC1C2=CC=CC=C2 PH007941 [0,1,0,1,0,0|1,0,0]=3 377 B15R2.355 O=C1OCC(=C1CC2=CC=CC=C2)O S429023 [0,1,0,1,0,0|0,0,2]=4 378 B15R2.2195 C1=CC=C(C=C1)CCC2=NCCCS2 PH000546 [0,1,0,1,0,0|1,1,0]=4 379 B15R2.9941 CCCN1C(=O)CNC2=C1C=CC=C2 T311367 [0,1,0,1,0,0|2,0,0]=4 380 B15R2.309 O=C1CC(C(=O)O1)C2=CC=C(C=C2)F CDS020399 [0,1,0,1,0,0|1,0,1]=4 381 B15R2.1510 O=C1CCCN1CC2=CC=C(C=C2)Cl PH008489 [0,1,0,1,0,0|2,0,0]=4 382 B15R2.36352 CCN1C(=O)COC2=CC=C(C=C12)N OTV000561 [0,1,0,1,0,0|2,0,0]=4 383 B15R2.6811 CCOC1(CCC2=CC=CC=C2O1)C PH001189 [0,1,0,1,0,0|0,0,2]=4 384 B15R2.2285 COC1=NCCC2=C(C=CC=C2)CC1 T190233 [0,1,0,1,0,0|1,0,1]=4 385 B15R2.388 O=S1(=O)OCCN1CC2=CC=CC=C2 SYX00079 [0,1,0,1,0,0|2,0,0]=4 386 B15R3.485 O=C1N[C@@H]2[C@H]1CCC3=CC=CC=C23 BBO000399 [0,0,0,2,0,0|2,0,0]=4 387 B15R3.15145 O=C1NC2C1CC3=CC=CC=C3C2 T172170 [0,0,0,2,0,0|1,0,0]=3 388 B11R1.25 COC(=O)CCC1=CC=CN1 CDS005344 [1,0,0,0,1,0|1,0,0]=3 389 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [1,0,0,0,1,0|1,0,0]=3 390 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [1,0,0,0,1,0|2,0,0]=4 391 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [1,0,0,0,1,0|1,0,1]=4 392 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [1,0,0,0,1,0|1,0,1]=4 393 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [1,0,0,0,1,0|1,0,0]=3 394 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [1,0,0,0,1,0|1,0,0]=3 395 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [1,0,0,0,1,0|1,0,0]=3 396 B11R1.40 COC(=O)C[N+]1=CC=CN=C1 S225894 [1,0,0,0,1,0|2,0,0]=4 397 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [1,0,0,0,1,0|1,0,0]=3 398 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [1,0,0,0,1,0|2,0,0]=4 399 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [1,0,0,0,1,0|2,0,0]=4 400 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [1,0,0,0,1,0|2,0,0]=4 401 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [1,0,0,0,1,0|1,0,0]=3 402 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [0,0,0,0,2,0|2,0,0]=4 403 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [0,0,0,0,2,0|1,0,0]=3 404 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [0,0,0,0,2,0|2,0,0]=4 405 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [0,0,0,0,2,0|2,0,0]=4 406 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [0,0,0,0,2,0|2,0,0]=4 407 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [0,0,0,0,2,0|1,1,0]=4 408 B11R1.30 CCOC(=O)CN1C=CC=N1 S945447 [0,0,0,0,2,0|2,0,0]=4 409 B15R1.778 CCOC(=O)CCNCC1=CC=NC=C1 PH014279 [0,0,0,0,0,2|1,0,0]=3 410 B15R1.778 CCOC(=O)CSCCC1=CC=CC=C1 PH008303 [0,0,0,0,0,2|0,0,0]=2 411 B15R1.778 CCOC(=O)NCCCC1=CC=CC=C1 PH008019 [0,0,0,0,0,2|0,0,0]=2 412 B15R1.778 CCOC(=O)NNCCC1=CC=CC=C1 PH007776 [0,0,0,0,0,2|0,0,0]=2