0 B13R1.337 CC(=CCCOC1=CC=CC=C1)C S36987 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.337 CC(=O)OCCSC1=CC=CC=C1 S866393 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.337 N=C(N)NCCOC1=CC=CC=C1 PH012552 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.337 NC(=O)CCSCC1=CC=CC=C1 S620157 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 PH006883 [0,0,0,0,0,0|1,0,0]=1 5 B13R1.337 O=C(Cl)CCCOC1=CC=CC=C1 CDS000728 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 PH010076 [0,0,0,0,0,0|3,0,0]=3 7 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 ANV00333 [0,0,0,0,0,0|3,0,0]=3 8 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 S541575 [0,0,0,0,0,0|3,0,0]=3 9 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 S541567 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.8 CCNCCCC1=CC=CC=C1 PH014136 [1,0,0,0,0,0|1,0,1]=3 14 B12R1.8 CCNCCOC1=CC=CC=C1 CBR00951 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.8 CNCCNCC1=CC=CC=C1 PH010277 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.8 N#CCCCCC1=CC=CC=C1 PH002674 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.8 NNCCCCC1=CC=CC=C1 PH018955 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.8 S=C=NCCCC1=CC=CC=C1 CDS020794 [1,0,0,0,0,0|1,1,1]=4 19 B14R1.159 CC(=O)NCCOC1=CC=CC=C1Cl R703737 [0,1,0,0,0,0|2,0,0]=3 20 B14R1.159 CC1=C(C=CC=C1)SCCCC(=O)O PH011741 [0,1,0,0,0,0|3,0,0]=4 21 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)Cl OTV000105 [0,1,0,0,0,0|3,0,0]=4 22 B14R1.159 O=C(O)CCOCC1=CC=CC=C1F ANV00320 [0,1,0,0,0,0|3,0,0]=4 23 B14R1.420 C/C(=C\CNC(C)C1=CC=CC=C1)/Cl CDS017601 [0,1,0,0,0,0|3,0,0]=4 24 B14R1.420 CC(CCSC(=N)N)C1=CC=CC=C1 R427810 [0,1,0,0,0,0|2,1,0]=4 25 B14R1.423 CC(=O)NNC(=O)CC1=CC=CC=C1 S669989 [0,1,0,0,0,0|2,0,1]=4 26 B14R1.423 CC(=O)OC[C@@H](C)CC1=CC=CC=C1 T287105 [0,1,0,0,0,0|0,0,0]=1 27 B14R1.423 CC(C)NCC(O)CC1=CC=CC=C1 PH013395 [0,1,0,0,0,0|2,0,1]=4 28 B14R1.423 O=C(O)CCS(=O)CC1=CC=CC=C1 PH010240 [0,1,0,0,0,0|3,0,0]=4 29 B14R1.677 CC(=O)NCCOC1=CC=C(C=C1)C R413992 [0,1,0,0,0,0|2,0,0]=3 30 B14R1.677 CC(=O)NCCOC1=CC=C(C=C1)Cl R415103 [0,1,0,0,0,0|2,0,0]=3 31 B14R1.677 CC(=O)NCCOC1=CC=C(C=C1)F R703745 [0,1,0,0,0,0|2,0,0]=3 32 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Br JRD1063 [0,1,0,0,0,0|3,0,0]=4 33 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Cl JRD1061 [0,1,0,0,0,0|3,0,0]=4 34 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)F JRD1062 [0,1,0,0,0,0|3,0,0]=4 35 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)F OTV000983 [0,1,0,0,0,0|3,0,0]=4 36 B14R1.716 CCC(=O)OCCCC1=CC=CC=C1 S528544 [0,1,0,0,0,0|0,0,0]=1 37 B14R1.716 CCC(=O)OCCOC1=CC=CC=C1 S528463 [0,1,0,0,0,0|1,0,0]=2 38 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 PH011057 [0,1,0,0,0,0|2,0,0]=3 39 B14R1.716 COC(=O)CCSCC1=CC=CC=C1 S614165 [0,1,0,0,0,0|2,0,0]=3 40 B14R1.716 COC(=O)NNCCC1=CC=CC=C1 PH007754 [0,1,0,0,0,0|2,0,0]=3 41 B14R1.716 O=C(CCl)NCCCC1=CC=CC=C1 TMT00612 [0,1,0,0,0,0|1,0,0]=2 42 B14R1.716 O=C(CCl)OCC=CC1=CC=CC=C1 S240230 [0,1,0,0,0,0|0,0,2]=3 43 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 S357170 [0,1,0,0,0,0|2,0,1]=4 44 B14R1.818 CC(=O)OC(C)CCC1=CC=CC=C1 S460575 [0,1,0,0,0,0|0,0,0]=1 45 B14R1.818 CC(=O)OC(C)COC1=CC=CC=C1 PH006975 [0,1,0,0,0,0|1,0,0]=2 46 B14R1.3331 CS(=O)(=O)NCCOC1=CC=CC=C1 TMT00207 [0,1,0,0,0,0|3,0,0]=4 47 B14R1.3331 CS(=O)(=O)OCCCC1=CC=CC=C1 PH008812 [0,1,0,0,0,0|1,0,0]=2 48 B14R1.3331 CS(=O)(=O)OCCOC1=CC=CC=C1 S877239 [0,1,0,0,0,0|2,0,0]=3 49 B14R1.6449 CC(CNCC1=CC=CC=C1)C(=O)O PH010724 [0,1,0,0,0,0|3,0,0]=4 50 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O PH010500 [0,1,0,0,0,0|2,0,0]=3 51 B14R1.6449 NC(CCOC1=CC=CC=C1)C(=O)O PH012937 [0,1,0,0,0,0|3,0,0]=4 52 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O S635022 [0,1,0,0,0,0|3,0,0]=4 53 B14R2.2 O=C(O)CC1CCC2=CC=CC=C12 CDS007741 [0,0,0,1,0,0|2,0,0]=3 54 B14R2.2 O=C([O-])CC1CNC2=C1C=CC=C2 R464317 [0,0,0,1,0,0|3,0,0]=4 55 B14R2.19 O=C1C=C(CO1)NC2=CC=CC=C2 S811505 [0,0,0,1,0,0|1,0,2]=4 56 B14R2.19 O=C1CN(CN1)CC2=CC=CC=C2 PH015293 [0,0,0,1,0,0|2,0,0]=3 57 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 PH000320 [0,0,0,1,0,0|1,0,0]=2 58 B14R2.21 O=C1CCCC(N1)C2=CC=CC=C2 T313149 [0,0,0,1,0,0|2,0,0]=3 59 B14R2.21 O=C1CCCC(N1)C2=CC=CN=C2 T315982 [0,0,0,1,0,0|3,0,0]=4 60 B14R2.21 O=C1CCCN(N1)C2=CC=CC=C2 S274887 [0,0,0,1,0,0|3,0,0]=4 61 B14R2.21 O=C1COC[C@H](N1)C2=CC=CC=C2 KOB0138 [0,0,0,1,0,0|3,0,0]=4 62 B14R2.436 O=C1CC(C1)OCC2=CC=CC=C2 KOB0140 [0,0,0,1,0,0|2,0,0]=3 63 B14R2.790 CC(=O)NC1CC1C2=CC=CC=C2 T199419 [0,0,0,1,0,0|1,0,0]=2 64 B14R2.31359 CC(=O)N1CCCC2=C1C=CC=C2 EME00252 [0,0,0,1,0,0|1,0,0]=2 65 B14R2.31359 NC(=O)N1CCCC2=C1C=CC=C2 S682365 [0,0,0,1,0,0|2,0,0]=3 66 B14R2.31359 O=C(O)C1=CCCC2=C1C=CC=C2 PH016008 [0,0,0,1,0,0|2,0,1]=4 67 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 CDS007913 [0,0,0,1,0,0|2,0,0]=3 68 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 PH009976 [0,0,0,1,0,0|3,0,0]=4 69 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [0,0,0,0,1,0|2,0,1]=4 70 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 S364789 [0,0,0,0,1,0|2,0,1]=4 71 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [0,0,0,0,1,0|1,0,0]=2 72 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [0,0,0,0,1,0|1,0,0]=2 73 B12R1.252 CC(=O)N/N=C/C1=CC=CC=C1 S872245 [0,0,0,0,1,0|2,0,1]=4 74 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [0,0,0,0,1,0|1,0,0]=2 75 B12R1.252 CC(=O)OCCC1=NC=CC=C1 PH006794 [0,0,0,0,1,0|1,0,0]=2 76 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [0,0,0,0,1,0|1,0,0]=2 77 B12R1.252 CC(C)CCNC1=CC=CC=C1 S705780 [0,0,0,0,1,0|2,0,1]=4 78 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [0,0,0,0,1,0|2,0,1]=4 79 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [0,0,0,0,1,0|0,0,2]=3 80 B12R1.252 CC(O)CCSC1=CC=CC=C1 T233005 [0,0,0,0,1,0|1,0,2]=4 81 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [0,0,0,0,1,0|1,0,2]=4 82 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [0,0,0,0,1,0|1,0,2]=4 83 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [0,0,0,0,1,0|1,0,2]=4 84 B12R1.252 N=C(N)CCCC1=CC=CC=N1 PH015391 [0,0,0,0,1,0|3,0,0]=4 85 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [0,0,0,0,1,0|3,0,0]=4 86 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [0,0,0,0,1,0|1,0,0]=2 87 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [0,0,0,0,1,0|2,0,0]=3 88 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [0,0,0,0,1,0|2,0,0]=3 89 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [0,0,0,0,1,0|2,1,0]=4 90 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [0,0,0,0,1,0|1,0,0]=2 91 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [0,0,0,0,1,0|2,0,0]=3 92 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [0,0,0,0,1,0|2,0,0]=3 93 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [0,0,0,0,1,0|2,0,0]=3 94 B12R1.252 O=C(O)CNCC1=NC=CC=C1 PH014769 [0,0,0,0,1,0|3,0,0]=4 95 B12R1.252 [SiH](C)(C)CCCC1=CC=CC=C1 S829870 [0,0,0,0,1,0|1,1,0]=3 96 B12R1.255 O=C(O)CCCCC1=CC=CS1 R436631 [0,0,0,0,1,0|3,0,0]=4 97 B14R1.422 CC(=O)OCCCSC1=CC=CC=C1 S866563 [0,0,0,0,0,1|0,0,0]=1 98 B14R1.422 CC(O)CCCCCC1=CC=CC=C1 PH008491 [0,0,0,0,0,1|1,0,2]=4 99 B14R1.422 CN(C)CCCNCC1=CC=CC=C1 PH010177 [0,0,0,0,0,1|3,0,0]=4 100 B14R1.422 N=C(N)NOCCOC1=CC=CC=C1 PH008972 [0,0,0,0,0,1|3,0,0]=4 101 B14R1.422 O=C(O)CCCCOC1=CC=CC=C1 PH010984 [0,0,0,0,0,1|2,0,0]=3 102 B11R1.28 C#CCCCC1=CC=CC=C1 CDS001437 [2,0,0,0,0,0|0,0,2]=4 103 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 C=CCNCC1=CC=CC=C1 ANV00005 [2,0,0,0,0,0|1,0,1]=4 106 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [2,0,0,0,0,0|1,0,1]=4 107 B11R1.28 CCOCCC1=CC=CC=N1 S361402 [2,0,0,0,0,0|1,0,1]=4 108 B11R1.28 CCOCCC1=CC=NC=C1 S368741 [2,0,0,0,0,0|1,0,1]=4 109 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [2,0,0,0,0,0|1,0,0]=3 110 B11R1.28 COCCOC1=CC=CC=C1 S793000 [2,0,0,0,0,0|1,0,0]=3 111 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [2,0,0,0,0,0|1,0,0]=3 112 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [2,0,0,0,0,0|1,1,0]=4 113 B11R1.28 NOCCOC1=CC=CC=C1 CDS015326 [2,0,0,0,0,0|2,0,0]=4 114 B13R1.9 CCCCCCC1=CC=C(C=C1)O CDS000247 [1,1,0,0,0,0|1,0,1]=4 115 B13R1.28 ClCCCCCCC1=CC=CC=C1 PH000050 [1,1,0,0,0,0|1,0,1]=4 116 B13R1.28 O=CNCCCCC1=CC=CC=C1 PH000636 [1,1,0,0,0,0|1,0,0]=3 117 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 B13R1.718 COC(=O)CCCC1=CC=CC=C1 PH010421 [1,1,0,0,0,0|2,0,0]=4 121 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 PH010963 [0,1,0,0,1,0|0,0,1]=3 122 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 T291145 [0,1,0,0,1,0|0,0,1]=3 123 B13R1.45 CC(=O)OCC(C)C1=CC=CC=C1 S528323 [0,1,0,0,1,0|0,0,0]=2 124 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 S427314 [0,1,0,0,1,0|1,0,0]=3 125 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 PH009924 [0,1,0,0,1,0|2,0,0]=4 126 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 S39102 [0,1,0,0,1,0|1,0,1]=4 127 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Br EME00137 [0,1,0,0,1,0|2,0,0]=4 128 B13R1.158 CC1=CC=CC=C1CCCC(=O)O R245283 [0,1,0,0,1,0|1,0,0]=3 129 B13R1.158 CC1=CC=CC=C1SCCC(=O)O S849561 [0,1,0,0,1,0|2,0,0]=4 130 B13R1.158 N=C(N)CCCC1=C(C=CC=C1)Cl PH015537 [0,1,0,0,1,0|2,0,0]=4 131 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)F EME00439 [0,1,0,0,1,0|2,0,0]=4 132 B13R1.158 NC1=CC=CC=C1CCCC(=O)O PH003105 [0,1,0,0,1,0|1,0,0]=3 133 B13R1.158 O=C(O)CCNC1=C(C=CC=C1)Cl PH011647 [0,1,0,0,1,0|2,0,0]=4 134 B13R1.348 CN(C)CC(Cl)CC1=CC=CC=C1 PH012586 [0,1,0,0,1,0|2,0,0]=4 135 B13R1.348 C[C@H](CC1=CC=CC=C1)NC(=O)N PH008163 [0,1,0,0,1,0|2,0,0]=4 136 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 PH009541 [0,1,0,0,1,0|1,0,1]=4 137 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O PH010131 [0,1,0,0,1,0|2,0,0]=4 138 B13R1.351 C[C@H](SCC1=CC=CC=C1)C(=O)O PH017935 [0,1,0,0,1,0|2,0,0]=4 139 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CDS007841 [0,1,0,0,1,0|1,0,1]=4 140 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O S532649 [0,1,0,0,1,0|1,0,0]=3 141 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)O EME00118 [0,1,0,0,1,0|2,0,0]=4 142 B13R1.513 CN(C)CCCC1=CC=C(C=C1)N CDS004275 [0,1,0,0,1,0|2,0,0]=4 143 B13R1.513 NC(=O)CCCC1=CC=C(C=C1)Br S561223 [0,1,0,0,1,0|1,0,0]=3 144 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)Cl S44475 [0,1,0,0,1,0|2,0,0]=4 145 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br JRD0697 [0,1,0,0,1,0|1,0,0]=3 146 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl PH005128 [0,1,0,0,1,0|1,0,0]=3 147 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl PH009791 [0,1,0,0,1,0|2,0,0]=4 148 B13R1.513 O=C(O)CC[Te]C1=CC=C(C=C1)Br S50319 [0,1,0,0,1,0|2,0,0]=4 149 B13R1.3523 CS(=O)(=O)CCOC1=CC=CC=C1 PH007511 [0,1,0,0,1,0|2,0,0]=4 150 B13R1.3523 CS(=O)(=O)NCCC1=CC=CC=C1 PH004503 [0,1,0,0,1,0|2,0,0]=4 151 B15R1.131 C=C(C)CCCOCC1=C(C=CC=C1)Br T267880 [0,1,0,0,0,1|2,0,0]=4 152 B15R1.497 CC(=O)CCCCC(=O)C1=CC=CC=C1 T270334 [0,1,0,0,0,1|1,0,0]=3 153 B15R1.962 BrC/C(=C/CCOCC1=CC=CC=C1)/Br T274437 [0,1,0,0,0,1|2,0,0]=4 154 B15R1.3664 CC(CCCOC1=CC=CC=C1)C(=O)O PH007529 [0,1,0,0,0,1|2,0,0]=4 155 B15R1.3664 NC(CCSCC1=CC=CC=C1)C(=O)O S358401 [0,1,0,0,0,1|2,0,0]=4 156 B15R1.3664 O=C(O)C(Cl)CCCOC1=CC=CC=C1 PH006974 [0,1,0,0,0,1|2,0,0]=4 157 B15R1.5919 CC(=O)CCC(=O)OCC1=CC=CC=C1 S643408 [0,1,0,0,0,1|1,0,1]=4 158 B15R1.84 COC1=CC=CC=C1OCCNC(=O)C TMT00409 [0,2,0,0,0,0|2,0,0]=4 159 B15R1.130 CC1=C(C=CC=C1)OCC(C)OC(=O)N PH008122 [0,2,0,0,0,0|2,0,0]=4 160 B15R1.8290 CC(=O)NCCOC1=C(C=CC=C1C)C R703702 [0,2,0,0,0,0|2,0,0]=4 161 B15R1.490 CC(=O)O[Hg]CC(C)(C)C1=CC=CC=C1 S880442 [0,2,0,0,0,0|1,0,0]=3 162 B15R1.490 CC(=O)O[Hg]CC(C)(O)C1=CC=CC=C1 S875791 [0,2,0,0,0,0|1,0,0]=3 163 B15R1.959 [C@@H](C)(NCCC(=O)NC)C1=CC=CC=C1 R644358 [0,2,0,0,0,0|2,0,0]=4 164 B15R1.5331 CCN(CCOC(=O)C)C1=CC=CC=C1 S512273 [0,2,0,0,0,0|1,0,0]=3 165 B15R1.12243 CC(=CCC(C)(C)CC1=CC=CC=C1)C S37932 [0,2,0,0,0,0|2,0,0]=4 166 B15R1.4 CCC1=CC=C(C=C1)OCCNC(=O)C R703729 [0,2,0,0,0,0|2,0,0]=4 167 B15R1.4 COC1=CC=C(C=C1)CCCCC(=O)O S126977 [0,2,0,0,0,0|2,0,0]=4 168 B15R1.26 COC(=O)CCSCC1=CC=C(C=C1)Cl S614181 [0,2,0,0,0,0|2,0,0]=4 169 B15R1.741 CC(CCC1=CC=CC=C1)NC(=O)CCl TMT00592 [0,2,0,0,0,0|1,0,0]=3 170 B15R1.741 COC(=O)CC(C)OCC1=CC=CC=C1 T259098 [0,2,0,0,0,0|2,0,0]=4 171 B15R1.778 CCOC(=O)CSCCC1=CC=CC=C1 PH008303 [0,2,0,0,0,0|2,0,0]=4 172 B15R1.778 CCOC(=O)NCCCC1=CC=CC=C1 PH008019 [0,2,0,0,0,0|1,0,0]=3 173 B15R1.778 CCOC(=O)NNCCC1=CC=CC=C1 PH007776 [0,2,0,0,0,0|2,0,0]=4 174 B15R1.778 N#CCC(=O)NCCOC1=CC=CC=C1 R701343 [0,2,0,0,0,0|2,0,0]=4 175 B15R1.1321 CCC(=O)[C@@H](C)COCC1=CC=CC=C1 T290947 [0,2,0,0,0,0|2,0,0]=4 176 B15R1.1321 COC(=O)C(C)CSCC1=CC=CC=C1 S614157 [0,2,0,0,0,0|2,0,0]=4 177 B15R1.1321 COC(=O)C(N)CSCC1=CC=CC=C1 S764876 [0,2,0,0,0,0|2,0,0]=4 178 B15R1.12240 CC(=O)OC(C)(C)CCC1=CC=CC=C1 S528269 [0,2,0,0,0,0|0,0,0]=2 179 B13R2.3 C1=CC(=CC=N1)C2CCOCC2 S546267 [1,0,0,1,0,0|1,0,1]=4 180 B13R2.3 C1=CC=C(C=C1)C2CC=CCC2 CDS000056 [1,0,0,1,0,0|1,0,0]=3 181 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 CDS006181 [1,0,0,1,0,0|2,0,0]=4 182 B13R2.3 C1=CCC(CC1)C2=CC=NC=C2 PH000146 [1,0,0,1,0,0|2,0,0]=4 183 B13R2.15 CC1NCCC1C2=CC=CC=C2 PH012643 [1,0,0,1,0,0|1,0,1]=4 184 B13R2.15 O=C1CCCC1C2=CC=CC=N2 PH013013 [1,0,0,1,0,0|2,0,0]=4 185 B13R2.15 O=C1NCCC1C2=CC=CC=C2 PH002073 [1,0,0,1,0,0|1,0,0]=3 186 B13R2.64 C1=CC=C(C=C1)CN2CCOC2 CDS000096 [1,0,0,1,0,0|1,0,1]=4 187 B13R2.67 C1=CC=C2CCCCCCC2=C1 T170933 [1,0,0,1,0,0|1,0,1]=4 188 B13R2.5252 CN1CCCCC2=CC=CC=C12 T167851 [1,0,0,1,0,0|2,0,0]=4 189 B13R2.5252 O=C1CCCSC2=C1C=CC=C2 S761877 [1,0,0,1,0,0|2,0,0]=4 190 B13R2.5252 O=C1NCCCC2=CC=CC=C12 CDS005171 [1,0,0,1,0,0|1,0,0]=3 191 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 S682403 [1,0,0,1,0,0|2,0,0]=4 192 B13R2.10 O=C1CSC(N1)C2=CC=CC=C2 PH010364 [0,0,0,1,1,0|2,0,0]=4 193 B13R2.72 NC(=O)N1CCC2=CC=CC=C12 T325570 [0,0,0,1,1,0|2,0,0]=4 194 B13R2.72 O=C(O)C1CCC2=CC=CC=C12 CDS014135 [0,0,0,1,1,0|1,0,0]=3 195 B13R2.72 O=C(O)C1NCC2=CC=CC=C12 CDS008978 [0,0,0,1,1,0|2,0,0]=4 196 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 T203084 [0,0,0,1,1,0|0,0,0]=2 197 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T167568 [0,0,0,1,1,0|1,0,0]=3 198 B13R2.163 O=C1CCNC2=CC=CC=C2N1 T324922 [0,0,0,1,1,0|2,0,0]=4 199 B13R2.163 OC1CCCC2=C(C1)C=CC=C2 S58158 [0,0,0,1,1,0|0,0,2]=4 200 B13R2.423 O=C(O)C1CC1C2=CC=CC=N2 CDS022741 [0,0,0,1,1,0|2,0,0]=4 201 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 S354562 [0,0,0,1,1,0|2,0,0]=4 202 B15R2.6 O=C(O)CCC1CNC2=CC=CC=C12 CDS003058 [0,0,0,1,0,1|2,0,0]=4 203 B15R2.283 O=C1C/C(=N/NC2=CC=CC=C2)/CO1 PH009431 [0,0,0,1,0,1|1,0,1]=4 204 B15R2.283 O=C1C=C[C@@H](C1)OCC2=CC=CC=C2 T243299 [0,0,0,1,0,1|1,0,1]=4 205 B15R2.283 O=C1NCC(O1)COC2=CC=CC=C2 PH008101 [0,0,0,1,0,1|2,0,0]=4 206 B15R2.388 O=S1(=O)OCCN1CC2=CC=CC=C2 SYX00079 [0,0,0,1,0,1|2,0,0]=4 207 B15R2.1241 O=C(O)C1CCN1CC2=CC=CC=C2 CDS017779 [0,0,0,1,0,1|2,0,0]=4 208 B15R2.68122 O=C(O)CC1CCCC2=C1C=CC=C2 CDS023481 [0,0,0,1,0,1|2,0,0]=4 209 B15R2.68122 O=C(O)CC1NCCC2=C1C=CC=C2 BBO000768 [0,0,0,1,0,1|2,0,0]=4 210 B15R2.68122 O=C(O)CN1CCCC2=C1C=CC=C2 CDS022062 [0,0,0,1,0,1|2,0,0]=4 211 B15R2.69183 CC(=O)N1CCCCC2=C1C=CC=C2 PH009590 [0,0,0,1,0,1|1,0,0]=3 212 B15R2.384 CC(=O)N1CCCC2=CC(=CC=C12)Br TMT00379 [0,1,0,1,0,0|1,0,0]=3 213 B15R2.1237 O=C(O)C1=CC2=C(C=CC=C2)CCC1 T254355 [0,1,0,1,0,0|2,0,0]=4 214 B15R2.29 O=C1C=CC(CC1)CC2=CC=CC=C2 T220418 [0,1,0,1,0,0|1,0,1]=4 215 B15R2.29 O=C1CCC(CC1)SC2=CC=CC=C2 T282928 [0,1,0,1,0,0|2,0,0]=4 216 B15R2.988 CC(=O)N1CC(OC2=CC=CC=C12)C OTV000452 [0,1,0,1,0,0|2,0,0]=4 217 B15R2.9410 O=C(O)CC1CCC2=CC=C(C=C12)F CDS024120 [0,1,0,1,0,0|2,0,0]=4 218 B15R2.1621 CO/C(=N\C1CC1C2=CC=CC=C2)/C T199281 [0,1,0,1,0,0|1,0,1]=4 219 B15R2.79765 O=C(CCl)N1CCCC2=C1C=CC=C2 PH009992 [0,1,0,1,0,0|1,0,0]=3 220 B15R2.79765 O=C(CCl)N1CCOC2=CC=CC=C12 VBP00115 [0,1,0,1,0,0|2,0,0]=4 221 B15R2.79765 O=C(CCl)N1CCSC2=CC=CC=C12 VBP00126 [0,1,0,1,0,0|2,0,0]=4 222 B15R2.27 NC1=CC(=O)CC(C1)C2=CC=CC=C2 L510076 [0,1,0,1,0,0|1,0,1]=4 223 B15R2.16364 NC1(CCCC2=CC=CC=C12)C(=O)O CBR00943 [0,1,0,1,0,0|2,0,0]=4 224 B15R3.2013 CC1=CC2CCC1C3=CC=CC=C23 T196606 [0,0,0,2,0,0|2,0,0]=4 225 B15R3.14759 O=C1NC2=C3C1CCCC3=CC=C2 R425850 [0,0,0,2,0,0|2,0,0]=4 226 B11R1.91 C1(C=CCC=C1)COC(=O)C T175498 [0,0,0,0,2,0|0,0,2]=4 227 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,0,0,0,2,0|2,0,0]=4 228 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,0,0,0,2,0|2,0,0]=4 229 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,0,0,0,2,0|1,0,0]=3 230 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,0,0,0,2,0|2,0,0]=4 231 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [0,0,0,0,2,0|1,0,0]=3 232 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [0,0,0,0,2,0|1,0,1]=4 233 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [0,0,0,0,2,0|1,0,1]=4 234 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,0,0,0,2,0|2,0,0]=4 235 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [0,0,0,0,2,0|2,0,0]=4 236 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [0,0,0,0,2,0|2,0,0]=4 237 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,0,0,0,2,0|2,0,0]=4 238 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,0,0,0,2,0|2,0,0]=4 239 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [0,0,0,0,2,0|2,0,0]=4 240 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [0,0,0,0,2,0|2,0,0]=4 241 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,0,0,0,2,0|2,0,0]=4 242 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,0,0,0,2,0|2,0,0]=4 243 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [0,0,0,0,2,0|2,0,0]=4 244 B11R1.172 CC(=O)NCCC1=CC=CO1 EME00428 [0,0,0,0,2,0|2,0,0]=4 245 B15R1.504 O=C(O)CCCCCCC1=CC=CC=C1 CDS000796 [0,0,0,0,0,2|2,0,0]=4