0 B13R1.718 COC(=O)CCCC1=CC=CC=C1 PH010421 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.718 COC(=O)CCNC1=NC=CC=C1 EME00312 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.718 COC(=O)CCOC1=CC=CC=C1 S363723 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.718 COC(=O)CCSC1=CC=CC=C1 S614378 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.718 COC(=O)CSCC1=CC=CC=C1 S614149 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.718 COC(=O)NNCC1=CC=CC=C1 PH007736 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.718 O=C(CBr)NCCC1=CC=CC=C1 CDS006204 [0,0,0,0,0,0|2,0,0]=2 7 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 R397792 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [1,0,0,0,0,0|1,0,1]=3 11 B12R1.8 CCCNCCC1=NC=CC=C1 VBP00004 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.8 CCNCCCC1=CC=CC=C1 PH014136 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.8 CCNCCOC1=CC=CC=C1 CBR00951 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.8 N#CCOCCC1=CC=CC=C1 S148911 [1,0,0,0,0,0|1,0,2]=4 15 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 S364789 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [1,0,0,0,0,0|2,0,0]=3 18 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [1,0,0,0,0,0|2,0,0]=3 19 B12R1.252 CC(=O)N/N=C/C1=CC=CC=C1 S872245 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [1,0,0,0,0,0|1,0,0]=2 21 B12R1.252 CC(=O)OCCC1=NC=CC=C1 PH006794 [1,0,0,0,0,0|1,0,0]=2 22 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [1,0,0,0,0,0|1,0,0]=2 23 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [1,0,0,0,0,0|1,0,2]=4 24 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [1,0,0,0,0,0|3,0,0]=4 25 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [1,0,0,0,0,0|2,0,0]=3 26 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [1,0,0,0,0,0|3,0,0]=4 27 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [1,0,0,0,0,0|2,0,0]=3 28 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [1,0,0,0,0,0|2,1,0]=4 29 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [1,0,0,0,0,0|2,0,0]=3 30 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [1,0,0,0,0,0|3,0,0]=4 31 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [1,0,0,0,0,0|3,0,0]=4 32 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [1,0,0,0,0,0|3,0,0]=4 33 B12R1.252 [SiH](C)(C)CCCC1=CC=CC=C1 S829870 [1,0,0,0,0,0|2,1,0]=4 34 B14R1.13 CCC(=O)NCCC1=CC=C(C=C1)Br R343358 [0,1,0,0,0,0|1,0,0]=2 35 B14R1.13 COC(=O)CCOC1=CC=C(C=C1)N CDS021206 [0,1,0,0,0,0|3,0,0]=4 36 B14R1.13 COC(=O)CCSC1=CC=C(C=C1)Cl S614327 [0,1,0,0,0,0|3,0,0]=4 37 B14R1.13 COC(=O)CSCC1=CC=C(C=C1)Cl S620289 [0,1,0,0,0,0|3,0,0]=4 38 B14R1.13 O=C(CCl)NCCC1=CC=C(C=C1)Cl TMT00614 [0,1,0,0,0,0|2,0,0]=3 39 B14R1.163 C(=C/C(C)C1=CC=CC=C1)\C(=O)OC T297879 [0,1,0,0,0,0|2,0,1]=4 40 B14R1.163 COC(=O)CNC(C)C1=CC=CC=C1 S448311 [0,1,0,0,0,0|3,0,0]=4 41 B14R1.292 O=S(=O)(CCl)CCCC1=CC=CC=C1 T163767 [0,1,0,0,0,0|3,0,0]=4 42 B14R1.520 CCCC(=O)NCCC1=CC=CC=C1 R343404 [0,1,0,0,0,0|1,0,0]=2 43 B14R1.520 CCOC(=O)/C=C/NC1=CC=CC=C1 PH000578 [0,1,0,0,0,0|2,0,1]=4 44 B14R1.520 CCOC(=O)/C=N/NC1=CC=CC=C1 PH003756 [0,1,0,0,0,0|3,0,0]=4 45 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 S349542 [0,1,0,0,0,0|1,0,0]=2 46 B14R1.520 CCOC(=O)CCOC1=CC=CC=C1 S380792 [0,1,0,0,0,0|2,0,0]=3 47 B14R1.520 CCOC(=O)CCSC1=CC=CC=C1 PH010286 [0,1,0,0,0,0|2,0,0]=3 48 B14R1.520 CCOC(=O)CCSC1=CC=CC=N1 TMT00642 [0,1,0,0,0,0|3,0,0]=4 49 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CDS003234 [0,1,0,0,0,0|2,0,0]=3 50 B14R1.520 CCOC(=O)CNCC1=CC=CC=N1 PH011724 [0,1,0,0,0,0|3,0,0]=4 51 B14R1.520 CCOC(=O)N/N=C/C1=CC=CC=C1 S953458 [0,1,0,0,0,0|2,0,1]=4 52 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 S366129 [0,1,0,0,0,0|1,0,0]=2 53 B14R1.546 CCN(CC)CCCC1=CC=CC=C1 PH007031 [0,1,0,0,0,0|3,0,0]=4 54 B14R1.743 CCC(=O)NC(=O)NC1=CC=CC=C1 S856290 [0,1,0,0,0,0|2,0,1]=4 55 B14R1.743 C[C@H](CC1=CC=CC=C1)NC(=O)CCl PH008164 [0,1,0,0,0,0|2,0,0]=3 56 B14R1.756 CNC(=O)C(=O)NCC1=CC=CC=C1 PH002913 [0,1,0,0,0,0|3,0,0]=4 57 B14R1.756 COC(=O)C(C)CSC1=CC=CC=C1 S614033 [0,1,0,0,0,0|3,0,0]=4 58 B14R1.756 COC(=O)C(N)CCC1=CC=CC=C1 CDS006089 [0,1,0,0,0,0|2,0,0]=3 59 B14R1.756 COC(=O)C(O)CCC1=CC=CC=C1 PH000808 [0,1,0,0,0,0|2,0,0]=3 60 B14R1.756 COC(=O)[C@H](N)CCC1=CC=CC=C1 PH019536 [0,1,0,0,0,0|2,0,0]=3 61 B14R1.6449 CC(C)C(=O)NCCC1=CC=CC=C1 R343757 [0,1,0,0,0,0|1,0,0]=2 62 B14R1.6449 O=C(NCCC1=CC=CC=C1)C(Cl)Cl S844047 [0,1,0,0,0,0|2,0,0]=3 63 B14R2.8 CCC1=NOC(C1)C2=CC=CC=C2 PH008473 [0,0,0,1,0,0|3,0,0]=4 64 B14R2.8 CCC1OCC(O1)C2=CC=CC=C2 S941239 [0,0,0,1,0,0|0,0,2]=3 65 B14R2.8 CCN1CCC(C1)C2=CC=CC=C2 PH012481 [0,0,0,1,0,0|3,0,0]=4 66 B14R2.19 O=C1CN(CN1)CC2=CC=CC=C2 PH015293 [0,0,0,1,0,0|3,0,0]=4 67 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 PH000320 [0,0,0,1,0,0|2,0,0]=3 68 B14R2.68 O=C1CCC(=NN1)C2=CC=CC=C2 R818577 [0,0,0,1,0,0|2,0,1]=4 69 B14R2.68 O=C1CCC(=NN1)C2=CC=CC=C2 S199303 [0,0,0,1,0,0|2,0,1]=4 70 B14R2.68 O=C1CCP(CC1)C2=CC=CC=C2 R224480 [0,0,0,1,0,0|2,0,0]=3 71 B14R2.95 CCC(=O)N1C=CC2=C1C=CC=C2 S364282 [0,0,0,1,0,0|1,0,2]=4 72 B14R2.95 COC(=O)C1NCC2=CC=CC=C12 PH019012 [0,0,0,1,0,0|3,0,0]=4 73 B14R2.95 N1C=C(C2=C1C=CC=C2)C(=O)CC S370452 [0,0,0,1,0,0|2,0,1]=4 74 B14R2.95 O=C(CCl)N1CCC2=C1C=CC=C2 S907952 [0,0,0,1,0,0|2,0,0]=3 75 B14R2.279 CN1C(=O)CCCC2=CC=CC=C12 T167576 [0,0,0,1,0,0|2,0,0]=3 76 B14R2.280 O=C1CCC2=CC=CC=C2CCN1 T176400 [0,0,0,1,0,0|1,0,0]=2 77 B14R2.958 CNC(=O)C1CC1C2=CC=CC=C2 T199354 [0,0,0,1,0,0|2,0,0]=3 78 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 S353248 [0,0,0,1,0,0|3,0,0]=4 79 B14R2.4514 C=C1C(=O)OCC1C2=CC=CC=C2 T262382 [0,0,0,1,0,0|0,0,2]=3 80 B14R2.4514 CC1C(=O)NN=C1C2=CC=CC=C2 PH009507 [0,0,0,1,0,0|2,0,1]=4 81 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,0,0,0,1,0|0,0,2]=3 82 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,0,0,0,1,0|0,0,0]=1 83 B12R1.27 CCC(=O)NNC1=CC=CC=C1 S557188 [0,0,0,0,1,0|2,0,0]=3 84 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [0,0,0,0,1,0|1,0,0]=2 85 B12R1.27 CNC(=O)OCC1=CN=CC=C1 PH009398 [0,0,0,0,1,0|2,0,0]=3 86 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [0,0,0,0,1,0|2,1,0]=4 87 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [0,0,0,0,1,0|2,0,0]=3 88 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [0,0,0,0,1,0|1,1,0]=3 89 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [0,0,0,0,1,0|1,0,0]=2 90 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [0,0,0,0,1,0|2,0,0]=3 91 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [0,0,0,0,1,0|3,0,0]=4 92 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [0,0,0,0,1,0|2,0,0]=3 93 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 PH015342 [0,0,0,0,1,0|3,0,0]=4 94 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [0,0,0,0,1,0|1,0,0]=2 95 B12R1.477 COC(=O)CCCC1=CC=CS1 EME00030 [0,0,0,0,1,0|3,0,0]=4 96 B14R1.716 CCC(=O)OCCCC1=CC=CC=C1 S528544 [0,0,0,0,0,1|0,0,0]=1 97 B14R1.716 CCC(=O)OCCOC1=CC=CC=C1 S528463 [0,0,0,0,0,1|0,0,0]=1 98 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 PH011057 [0,0,0,0,0,1|2,0,0]=3 99 B14R1.716 COC(=O)CCSCC1=CC=CC=C1 S614165 [0,0,0,0,0,1|2,0,0]=3 100 B14R1.716 COC(=O)NNCCC1=CC=CC=C1 PH007754 [0,0,0,0,0,1|2,0,0]=3 101 B14R1.716 O=C(CCl)NCCCC1=CC=CC=C1 TMT00612 [0,0,0,0,0,1|2,0,0]=3 102 B14R1.716 O=C(CCl)OCC=CC1=CC=CC=C1 S240230 [0,0,0,0,0,1|1,0,1]=3 103 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [2,0,0,0,0,0|1,0,1]=4 104 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [2,0,0,0,0,0|1,0,1]=4 105 B11R1.28 CCNCCC1=CC=CC=N1 S361453 [2,0,0,0,0,0|2,0,0]=4 106 B11R1.28 CCNCCC1=CC=NC=C1 OTV000969 [2,0,0,0,0,0|2,0,0]=4 107 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [2,0,0,0,0,0|0,0,2]=4 108 B11R1.28 CCOCCC1=CC=CC=N1 S361402 [2,0,0,0,0,0|1,0,0]=3 109 B11R1.28 CCOCCC1=CC=NC=C1 S368741 [2,0,0,0,0,0|1,0,0]=3 110 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [2,0,0,0,0,0|1,0,1]=4 111 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [2,0,0,0,0,0|2,0,0]=4 112 B13R1.9 CCCCCCC1=CC=C(C=C1)O CDS000247 [1,1,0,0,0,0|1,0,1]=4 113 B13R1.28 BrCC/C=C/CSC1=CC=CC=C1 T245429 [1,1,0,0,0,0|2,0,0]=4 114 B13R1.28 CCCCOCCC1=NC=CC=C1 PH007371 [1,1,0,0,0,0|1,0,1]=4 115 B13R1.28 CCCNCCOC1=CC=CC=C1 PH013289 [1,1,0,0,0,0|1,0,1]=4 116 B13R1.28 ClCCCCCCC1=CC=CC=C1 PH000050 [1,1,0,0,0,0|1,0,1]=4 117 B13R1.28 OC/C=C/COCC1=CC=CC=C1 T274372 [1,1,0,0,0,0|2,0,0]=4 118 B13R1.44 CCCCC(O)CC1=CC=CC=C1 S782025 [1,1,0,0,0,0|1,0,1]=4 119 B13R1.555 CCCCCCC1=C(C=CC=C1)O PH007151 [1,1,0,0,0,0|1,0,1]=4 120 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 PH010963 [1,1,0,0,0,0|1,0,1]=4 121 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 T291145 [1,1,0,0,0,0|0,0,1]=3 122 B13R1.45 CC(=O)OCC(C)C1=CC=CC=C1 S528323 [1,1,0,0,0,0|0,0,0]=2 123 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 S427314 [1,1,0,0,0,0|2,0,0]=4 124 B13R1.158 CC1=CC=CC=C1CCCC(=O)O R245283 [1,1,0,0,0,0|2,0,0]=4 125 B13R1.158 NC1=CC=CC=C1CCCC(=O)O PH003105 [1,1,0,0,0,0|2,0,0]=4 126 B13R1.348 C[C@H](CC1=CC=CC=C1)NC(=O)N PH008163 [1,1,0,0,0,0|2,0,0]=4 127 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 PH009541 [1,1,0,0,0,0|2,0,0]=4 128 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CDS007841 [1,1,0,0,0,0|2,0,0]=4 129 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O S532649 [1,1,0,0,0,0|2,0,0]=4 130 B13R1.513 NC(=O)CCCC1=CC=C(C=C1)Br S561223 [1,1,0,0,0,0|2,0,0]=4 131 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br JRD0697 [1,1,0,0,0,0|2,0,0]=4 132 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl PH005128 [1,1,0,0,0,0|2,0,0]=4 133 B13R1.3523 CS(=O)(=O)NCCC1=CC=CC=C1 PH004503 [1,1,0,0,0,0|2,0,0]=4 134 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 PH010030 [0,1,0,0,1,0|2,0,0]=4 135 B13R1.11 CC(NC(=O)CI)C1=CC=CC=C1 L318957 [0,1,0,0,1,0|2,0,0]=4 136 B13R1.11 CCN(C)CC(O)C1=CC=CC=C1 PH014915 [0,1,0,0,1,0|2,0,0]=4 137 B13R1.11 CNC(=O)CC(O)C1=CC=CC=C1 R127094 [0,1,0,0,1,0|1,0,0]=3 138 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 OTV000182 [0,1,0,0,1,0|1,0,1]=4 139 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CDS021823 [0,1,0,0,1,0|1,0,0]=3 140 B13R1.11 NNC(=O)CC(O)C1=CC=CC=C1 PH008854 [0,1,0,0,1,0|2,0,0]=4 141 B13R1.11 [C@H](C)(CC(=O)NN)C1=CC=CC=C1 T203815 [0,1,0,0,1,0|2,0,0]=4 142 B13R1.14 CC1=CC=C(C=C1)CNC(=O)CCl TMT00603 [0,1,0,0,1,0|2,0,0]=4 143 B13R1.14 CCC(=O)C=CC1=CC=C(C=C1)C S450049 [0,1,0,0,1,0|0,0,2]=4 144 B13R1.14 CNC(=O)OCC1=CC=C(C=C1)Cl PH009074 [0,1,0,0,1,0|1,0,0]=3 145 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br EME00079 [0,1,0,0,1,0|2,0,0]=4 146 B13R1.14 COC(=O)COC1=CC=C(C=C1)Cl PH009782 [0,1,0,0,1,0|2,0,0]=4 147 B13R1.14 COC(=O)COC1=CC=C(C=C1)N CDS020172 [0,1,0,0,1,0|2,0,0]=4 148 B13R1.14 COC(=O)CSC1=CC=C(C=C1)Cl S620173 [0,1,0,0,1,0|2,0,0]=4 149 B13R1.14 O=C(CCl)NCC1=CC=C(C=C1)Cl TMT00613 [0,1,0,0,1,0|2,0,0]=4 150 B13R1.14 O=C(CCl)OCC1=CC=C(C=C1)Cl S34968 [0,1,0,0,1,0|1,0,0]=3 151 B13R1.15 CNC(=O)COC1=CC(=CC=C1)Br EME00143 [0,1,0,0,1,0|2,0,0]=4 152 B13R1.135 COC(=O)C(C)OC1=CC=CC=C1 JRD1262 [0,1,0,0,1,0|2,0,0]=4 153 B13R1.135 COC(=O)C(C)SC1=CC=CC=C1 S620203 [0,1,0,0,1,0|2,0,0]=4 154 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 PH011323 [0,1,0,0,1,0|1,0,0]=3 155 B13R1.135 COC(=O)C(N)CC1=NC=CC=C1 PH019122 [0,1,0,0,1,0|2,0,0]=4 156 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [0,1,0,0,1,0|1,0,0]=3 157 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 PH009923 [0,1,0,0,1,0|1,0,0]=3 158 B13R1.135 COC(=O)[C@H](N)CC1=CC=CN=C1 CDS006818 [0,1,0,0,1,0|2,0,0]=4 159 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 S349356 [0,1,0,0,1,0|0,0,2]=4 160 B13R1.528 CCC(=O)/C=C/C1=CC=CC=C1O L255661 [0,1,0,0,1,0|0,0,2]=4 161 B13R1.528 CNC(=O)COC1=CC=CC=C1Br CDS005859 [0,1,0,0,1,0|2,0,0]=4 162 B13R1.528 COC(=O)CCC1=C(C=CC=C1)O CDS015224 [0,1,0,0,1,0|1,0,0]=3 163 B13R1.528 O=C(CCl)NCC1=C(C=CC=C1)Cl TMT00609 [0,1,0,0,1,0|2,0,0]=4 164 B15R1.26 COC(=O)CCSCC1=CC=C(C=C1)Cl S614181 [0,1,0,0,0,1|2,0,0]=4 165 B15R1.741 CC(CCC1=CC=CC=C1)NC(=O)CCl TMT00592 [0,1,0,0,0,1|2,0,0]=4 166 B15R1.741 COC(=O)CC(C)OCC1=CC=CC=C1 T259098 [0,1,0,0,0,1|2,0,0]=4 167 B15R1.778 CCOC(=O)CCNCC1=CC=NC=C1 PH014279 [0,1,0,0,0,1|2,0,0]=4 168 B15R1.778 CCOC(=O)CSCCC1=CC=CC=C1 PH008303 [0,1,0,0,0,1|0,1,0]=3 169 B15R1.778 CCOC(=O)NCCCC1=CC=CC=C1 PH008019 [0,1,0,0,0,1|1,0,0]=3 170 B15R1.778 CCOC(=O)NNCCC1=CC=CC=C1 PH007776 [0,1,0,0,0,1|1,0,0]=3 171 B15R1.778 N#CCC(=O)NCCOC1=CC=CC=C1 R701343 [0,1,0,0,0,1|1,0,1]=4 172 B15R1.959 [C@@H](C)(NCCC(=O)NC)C1=CC=CC=C1 R644358 [0,1,0,0,0,1|2,0,0]=4 173 B15R1.1321 CCC(=O)[C@@H](C)COCC1=CC=CC=C1 T290947 [0,1,0,0,0,1|1,0,0]=3 174 B15R1.1321 COC(=O)C(C)CSCC1=CC=CC=C1 S614157 [0,1,0,0,0,1|2,0,0]=4 175 B15R1.1321 COC(=O)C(N)CSCC1=CC=CC=C1 S764876 [0,1,0,0,0,1|2,0,0]=4 176 B15R1.3664 O=C(NCCCC1=CC=CC=C1)C(Cl)Cl PH007007 [0,1,0,0,0,1|2,0,0]=4 177 B15R1.11 CCCC(=O)NCCC1=CC=C(C=C1)Br R343331 [0,2,0,0,0,0|1,0,0]=3 178 B15R1.11 CCOC(=O)CCNC1=CC=C(C=C1)Br PH010618 [0,2,0,0,0,0|2,0,0]=4 179 B15R1.11 CCOC(=O)CCNC1=CC=C(C=C1)Cl PH010337 [0,2,0,0,0,0|2,0,0]=4 180 B15R1.11 CCOC(=O)CNCC1=CC=C(C=C1)Cl PH010757 [0,2,0,0,0,0|2,0,0]=4 181 B15R1.112 CC(C)C(=O)NCCC1=CC=C(C=C1)Br R343692 [0,2,0,0,0,0|1,0,0]=3 182 B15R1.206 CCC(=O)COCC1=CC=C(C=C1)OC T265764 [0,2,0,0,0,0|2,0,0]=4 183 B15R1.89 CCOC(=O)NNC(C)C1=CC=CC=C1 PH000307 [0,2,0,0,0,0|2,0,0]=4 184 B15R1.500 CC(C)C(=O)NCC(O)C1=CC=CC=C1 R343854 [0,2,0,0,0,0|1,0,0]=3 185 B15R1.157 N#CCCC(=O)NCCC1=CC=CC=C1 S883190 [0,2,0,0,0,0|1,0,0]=3 186 B15R1.633 CCOC(=O)NNCC1=CC=CC(=C1)N PH007758 [0,2,0,0,0,0|2,0,0]=4 187 B15R1.809 CC(CC1=CC=CC=C1)NC(=O)CCCl S529559 [0,2,0,0,0,0|1,0,0]=3 188 B15R1.809 CCOC(=O)CC(C)NC1=CC=CC=C1 PH010336 [0,2,0,0,0,0|2,0,0]=4 189 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 PH014393 [0,2,0,0,0,0|1,0,0]=3 190 B15R1.1252 CCOC(=O)NOCC1=C(C=CC=C1)Cl S893161 [0,2,0,0,0,0|2,0,0]=4 191 B15R1.973 COC(=O)[C@@H](O)[C@@H](N)CC1=CC=CC=C1 PH008509 [0,2,0,0,0,0|2,0,0]=4 192 B15R1.9095 CC(C)(C)C(=O)NCCC1=CC=CC=C1 R344222 [0,2,0,0,0,0|1,0,0]=3 193 B13R2.3 C1=CC=C(C=C1)C2CC=CCC2 CDS000056 [1,0,0,1,0,0|1,0,0]=3 194 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 CDS006181 [1,0,0,1,0,0|1,0,1]=4 195 B13R2.3 C1=CC=C(C=C1)C2COCCN2 CDS019264 [1,0,0,1,0,0|1,0,1]=4 196 B13R2.3 C1=CCC(CC1)C2=CC=NC=C2 PH000146 [1,0,0,1,0,0|2,0,0]=4 197 B13R2.15 CC1NCCC1C2=CC=CC=C2 PH012643 [1,0,0,1,0,0|2,0,0]=4 198 B13R2.64 C1=CC=C(C=C1)SC2C=CCC2 T278858 [1,0,0,1,0,0|2,0,0]=4 199 B13R2.67 C1=CC=C2CCCCCCC2=C1 T170933 [1,0,0,1,0,0|1,0,1]=4 200 B13R2.1613 CCC1NCCC2=C1C=CC=C2 PH016245 [1,0,0,1,0,0|1,0,1]=4 201 B13R2.72 NC(=O)N1CCC2=CC=CC=C12 T325570 [1,0,0,1,0,0|2,0,0]=4 202 B13R2.72 O=C(O)C1CCC2=CC=CC=C12 CDS014135 [1,0,0,1,0,0|2,0,0]=4 203 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 T203084 [1,0,0,1,0,0|1,0,0]=3 204 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T167568 [1,0,0,1,0,0|2,0,0]=4 205 B13R2.32 CN1C(=O)CSC2=CC=CC=C12 T313084 [0,0,0,1,1,0|2,0,0]=4 206 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [0,0,0,1,1,0|0,0,2]=4 207 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 T199613 [0,0,0,1,1,0|0,0,0]=2 208 B13R2.33 O=C1CNC2=CC=CC=C2CN1 CDS003920 [0,0,0,1,1,0|2,0,0]=4 209 B13R2.57 CCC1=NC2=CC=CC=C2CN1 PH013509 [0,0,0,1,1,0|2,0,0]=4 210 B15R2.29 O=C1C=CC(CC1)CC2=CC=CC=C2 T220418 [0,0,0,1,0,1|1,0,0]=3 211 B15R2.29 O=C1CCC(CC1)SC2=CC=CC=C2 T282928 [0,0,0,1,0,1|1,0,0]=3 212 B15R2.283 O=C1NCC(O1)COC2=CC=CC=C2 PH008101 [0,0,0,1,0,1|1,0,0]=3 213 B15R2.79765 O=C(CCl)N1CCCC2=C1C=CC=C2 PH009992 [0,0,0,1,0,1|2,0,0]=4 214 B15R2.79765 O=C(CCl)N1CCOC2=CC=CC=C12 VBP00115 [0,0,0,1,0,1|2,0,0]=4 215 B15R2.79765 O=C(CCl)N1CCSC2=CC=CC=C12 VBP00126 [0,0,0,1,0,1|2,0,0]=4 216 B15R2.1559 COC(=O)[C@@H]1C[C@H]1C2=CC=C(C=C2)Cl PH008588 [0,1,0,1,0,0|2,0,0]=4 217 B15R2.1 ON=C1CCC(CC1)C2=CC=CC=C2 PH003513 [0,1,0,1,0,0|1,0,1]=4 218 B15R2.1 [C-]#[N+]C1=CCC(CC1)C2=CC=CC=C2 PH015754 [0,1,0,1,0,0|2,0,0]=4 219 B15R2.96 CC1(C=CC(=O)CC1)C2=CC=CC=C2 S338249 [0,1,0,1,0,0|1,0,1]=4 220 B15R2.96 CC1(C=CC(=O)CC1)C2=CC=CC=C2 S551171 [0,1,0,1,0,0|1,0,1]=4 221 B15R2.96 CC1(CCC(=O)CC1)C2=CC=CC=C2 T254347 [0,1,0,1,0,0|1,0,0]=3 222 B15R2.96 O=C1CCC(CC1)(O)C2=CC=CC=C2 PH014586 [0,1,0,1,0,0|1,0,0]=3 223 B15R2.96 O=C1CCC(CC1)(O)C2=CC=CN=C2 PH015719 [0,1,0,1,0,0|2,0,0]=4 224 B15R2.96 O=C1CCC(CC1)(O)C2=CC=NC=C2 PH018118 [0,1,0,1,0,0|2,0,0]=4 225 B15R2.66 CCCC1OCC(O1)C2=CC=CC=C2 S941247 [0,1,0,1,0,0|0,0,2]=4 226 B15R2.389 O=C1CCC(C(=O)C1)C2=CC=CC=C2 PH001413 [0,1,0,1,0,0|1,0,1]=4 227 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 S367249 [0,1,0,1,0,0|1,0,0]=3 228 B15R2.2349 CCN1C(=O)CSC1C2=CC=CC=C2 PH001049 [0,1,0,1,0,0|2,0,0]=4 229 B15R2.2285 COC1=NCCC2=C(C=CC=C2)CC1 T190233 [0,1,0,1,0,0|1,0,1]=4 230 B15R2.308 CC1=C(C=CC=C1)N2CCC(=O)CC2 CBR00485 [0,1,0,1,0,0|2,0,0]=4 231 B15R2.59 CC(C)C1OCC(O1)C2=CC=CC=C2 S941212 [0,1,0,1,0,0|0,0,2]=4 232 B15R2.4092 CC1(C(CC=N1=O)C2=CC=CC=C2)C PH007783 [0,1,0,1,0,0|2,0,0]=4 233 B15R3.485 O=C1N[C@@H]2[C@H]1CCC3=CC=CC=C23 BBO000399 [0,0,0,2,0,0|2,0,0]=4 234 B15R3.704 O=C1OCC2(C1C2)C3=CC=CC=N3 T311936 [0,0,0,2,0,0|1,0,0]=3 235 B15R3.15145 O=C1NC2C1CC3=CC=CC=C3C2 T172170 [0,0,0,2,0,0|1,0,0]=3 236 B11R1.91 C1(C=CCC=C1)COC(=O)C T175498 [1,0,0,0,1,0|0,0,2]=4 237 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [1,0,0,0,1,0|2,0,0]=4 238 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [1,0,0,0,1,0|2,0,0]=4 239 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [1,0,0,0,1,0|1,0,0]=3 240 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [1,0,0,0,1,0|2,0,0]=4 241 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [1,0,0,0,1,0|1,0,0]=3 242 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [1,0,0,0,1,0|1,0,1]=4 243 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [1,0,0,0,1,0|1,0,1]=4 244 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [1,0,0,0,1,0|2,0,0]=4 245 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [1,0,0,0,1,0|2,0,0]=4 246 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [1,0,0,0,1,0|2,0,0]=4 247 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [1,0,0,0,1,0|2,0,0]=4 248 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [1,0,0,0,1,0|2,0,0]=4 249 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [1,0,0,0,1,0|2,0,0]=4 250 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [1,0,0,0,1,0|2,0,0]=4 251 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [1,0,0,0,1,0|2,0,0]=4 252 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [1,0,0,0,1,0|2,0,0]=4 253 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [1,0,0,0,1,0|2,0,0]=4 254 B11R1.172 CC(=O)NCCC1=CC=CO1 EME00428 [1,0,0,0,1,0|2,0,0]=4 255 B11R1.25 COC(=O)CCC1=CC=CN1 CDS005344 [0,0,0,0,2,0|2,0,0]=4 256 B11R1.25 O=C(CCl)OCC1=CC=CO1 S836451 [0,0,0,0,2,0|2,0,0]=4 257 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,0,0,0,2,0|0,0,0]=2 258 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,0,0,0,2,0|2,0,0]=4 259 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,0,0,0,2,0|2,0,0]=4 260 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [0,0,0,0,2,0|2,0,0]=4 261 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [0,0,0,0,2,0|2,0,0]=4 262 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,0,0,0,2,0|2,0,0]=4 263 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,0,0,0,2,0|2,0,0]=4 264 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,0,0,0,2,0|2,0,0]=4 265 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,0,0,0,2,0|2,0,0]=4 266 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,0,0,0,2,0|2,0,0]=4