0 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)N BBO000078 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)O PH002702 [0,0,0,0,0,0|2,0,2]=4 2 B13R2.342 CC1=C2OCCC(C2=CC=C1)O PH017424 [0,0,0,0,0,0|2,0,2]=4 3 B13R2.342 CC1=CC=CC2=C(C=CN=C12)Cl BBO000712 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.342 CC1=CC=CC2=C(N=CN=C12)Cl CDS005205 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.342 CC1=CC=CC2=C1OCCC2=O PH014564 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.342 O=C1CCCC2=C(C=CC=C12)Br PH014623 [0,0,0,0,0,0|2,0,0]=2 7 B13R2.342 O=C1CCOC2=C1C=CC=C2F PH015252 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.1081 BrC1=CC=CC2=C1CCCC2 CDS007742 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.1081 CC1=CC=CC2=C1NCCC2 CDS013606 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [1,0,0,0,0,0|1,0,1]=3 11 B12R2.1081 NC1=C2CCCNC2=CC=C1 PH003531 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.1081 NC1=CC=CC2=C1CCCC2 T281816 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [1,0,0,0,0,0|2,0,1]=4 14 B12R2.1081 O=C1CCCC2=C1C=CC=N2 PH009807 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.1081 O=C1CCCC2=CC=NC=C12 CDS009119 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [1,0,0,0,0,0|2,0,0]=3 17 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [1,0,0,0,0,0|2,0,0]=3 18 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [1,0,0,0,0,0|1,0,0]=2 19 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [1,0,0,0,0,0|2,0,1]=4 20 B12R2.1081 O=S1CCNC2=CC=CC=C12 T324086 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.1081 [PbH2]1SOC(=O)C2=C1C=CC=C2 S839485 [1,0,0,0,0,0|3,0,0]=4 22 B14R2.1078 COC1=CC=CC2=C1CCCC2N PH019065 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.1078 COC1=CC=CC2=C1CCCC2O S937266 [0,1,0,0,0,0|1,0,2]=4 24 B14R2.8038 CC1=C(C2=C(C=C1)C(=O)CCO2)C PH015421 [0,1,0,0,0,0|2,0,0]=3 25 B14R2.8045 CC1=CC2=C(CCCC2N)C(=C1)C PH019144 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.8045 CC1=CC2=C(OCCC2=O)C(=C1)C PH010568 [0,1,0,0,0,0|2,0,0]=3 27 B14R2.8045 CC1=CC=CC2=C1NC(=O)NC2=O T315990 [0,1,0,0,0,0|1,0,1]=3 28 B14R2.8045 CC1=CC=CC2=C1SC(CC2=O)C PH014870 [0,1,0,0,0,0|2,0,0]=3 29 B14R2.8045 O=C1NC=NC2=C1C=C(C=C2Cl)Cl PH003370 [0,1,0,0,0,0|2,0,1]=4 30 B14R2.8051 CC1=CC=C(C2=C1OCCC2=O)C PH015294 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.17 CC1=CC(=CC=C1)C(=O)CC#N JRD0743 [0,0,1,0,0,0|2,0,1]=4 32 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [0,0,1,0,0,0|1,0,0]=2 33 B12R1.17 CCNC(=O)C1=CC=CC(=C1)N CBR00239 [0,0,1,0,0,0|1,0,0]=2 34 B12R1.17 CCNC(=O)C1=CC=CC(=N1)Br PH018909 [0,0,1,0,0,0|2,0,0]=3 35 B12R1.17 CCNC(=O)C1=NC(=CC=C1)F PH018644 [0,0,1,0,0,0|2,0,0]=3 36 B12R1.17 CCOC(=O)C1=CC(=CN=C1)Br CDS003122 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.17 CCOC(=O)C1=CC(=NC=C1)N ADE000143 [0,0,1,0,0,0|3,0,0]=4 38 B12R1.17 CCOC(=O)C1=C[N+](=CC=C1)C R175366 [0,0,1,0,0,0|2,0,0]=3 39 B12R1.24 CCC(=O)C1=CC=CC(=C1O)C PH003571 [0,0,1,0,0,0|2,0,0]=3 40 B12R1.24 COC(=O)C1=C(C(=CC=C1)C)N CDS022209 [0,0,1,0,0,0|2,0,0]=3 41 B12R1.24 COC(=O)C1=CC=CC(=C1C)Cl S312320 [0,0,1,0,0,0|2,0,0]=3 42 B12R1.24 COC(=O)C1=CC=CC(=C1N)F CDS023662 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.24 COC(=O)C1=CC=CC(=C1N)N CDS019676 [0,0,1,0,0,0|3,0,0]=4 44 B12R1.24 COC(=O)C1=CC=CC(=C1O)C S378143 [0,0,1,0,0,0|2,0,0]=3 45 B12R1.24 COC(=O)C1=CC=CC(=C1O)O PH011302 [0,0,1,0,0,0|3,0,0]=4 46 B12R1.87 COC1=C(C=CC=C1C(=O)O)F CDS011471 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.267 C/C=C/CSC1=CC=CC=C1C S746231 [0,0,1,0,0,0|3,0,0]=4 48 B12R1.267 O=CN/N=C/C1=CC=CC=C1O L496960 [0,0,1,0,0,0|2,0,1]=4 49 B12R2.196 CC1=CC=C2N1CCN=C2C T317314 [0,0,0,0,1,0|2,0,1]=4 50 B12R2.196 CN1N=CC2=C1CCCC2=O SYX00186 [0,0,0,0,1,0|3,0,0]=4 51 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl JRD0942 [0,0,0,0,1,0|1,0,0]=2 52 B14R2.685 CC1=CC=CC2=C1OCCCC2=O T322490 [0,0,0,0,0,1|1,0,0]=2 53 B14R2.685 CC1=CC=CC2=C1OCCNC2=O T317489 [0,0,0,0,0,1|0,0,0]=1 54 B14R2.685 O=C1CCCCC2=C(C=CC=C12)Br PH001878 [0,0,0,0,0,1|2,0,0]=3 55 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [1,0,1,0,0,0|0,0,0]=2 57 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [1,0,1,0,0,0|1,0,0]=3 58 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.16 N#CNC(=O)C1=CC=CC=C1 S923761 [1,0,1,0,0,0|1,0,1]=4 60 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [1,0,1,0,0,0|1,0,0]=3 61 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [1,0,1,0,0,0|2,0,0]=4 62 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [1,0,1,0,0,0|1,0,0]=3 63 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [1,0,1,0,0,0|0,0,0]=2 64 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [1,0,1,0,0,0|1,0,0]=3 65 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [1,0,1,0,0,0|1,0,0]=3 66 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [1,0,1,0,0,0|1,0,0]=3 67 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [1,0,1,0,0,0|1,0,0]=3 68 B11R1.23 CNC(=O)C1=CC(=CC=N1)Cl CDS004290 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.23 CNC(=O)C1=CC(=NC=C1)Cl CBR00287 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [1,0,1,0,0,0|0,0,0]=2 71 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [1,0,1,0,0,0|1,0,0]=3 72 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [1,0,1,0,0,0|2,0,0]=4 73 B11R1.23 COC(=O)C1=CN=CC(=C1)C PH016250 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.23 COC(=O)C1=C[N+](=CC=C1)C S385360 [1,0,1,0,0,0|2,0,0]=4 75 B11R1.23 COC(=O)[N+]1=CC(=CC=C1)C R434086 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.23 NNC(=O)C1=CC=CC(=C1)Cl PH009753 [1,0,1,0,0,0|2,0,0]=4 77 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [1,0,1,0,0,0|2,0,0]=4 78 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [1,0,1,0,0,0|2,0,0]=4 79 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [1,0,1,0,0,0|2,0,0]=4 80 B11R1.159 CC1=C(C(=CC=C1)[C@H](C)N)C CDS015873 [1,0,1,0,0,0|1,0,1]=4 81 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [1,0,1,0,0,0|2,0,0]=4 82 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [1,0,1,0,0,0|1,0,0]=3 83 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [1,0,1,0,0,0|1,0,0]=3 84 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [1,0,1,0,0,0|0,0,0]=2 85 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [1,0,1,0,0,0|2,0,0]=4 86 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [1,0,1,0,0,0|1,0,0]=3 87 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [1,0,1,0,0,0|1,0,0]=3 88 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [1,0,1,0,0,0|1,0,0]=3 89 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [1,0,1,0,0,0|0,0,0]=2 90 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [1,0,1,0,0,0|1,0,0]=3 91 B11R1.222 CNC(=O)C1=CC=CN=C1Cl VBP00050 [1,0,1,0,0,0|2,0,0]=4 92 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [1,0,1,0,0,0|1,1,0]=4 93 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [1,0,1,0,0,0|2,0,0]=4 94 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [1,0,1,0,0,0|2,0,0]=4 95 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [1,0,1,0,0,0|2,0,0]=4 96 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [1,0,1,0,0,0|1,0,0]=3 97 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [1,0,1,0,0,0|2,0,0]=4 98 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [1,0,1,0,0,0|2,0,0]=4 99 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [1,0,1,0,0,0|2,0,0]=4 100 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [1,0,1,0,0,0|1,0,0]=3 101 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [1,0,1,0,0,0|2,0,0]=4 102 B11R1.265 COC1=C(C=CC=C1C=O)Br CDS023099 [1,0,1,0,0,0|2,0,0]=4 103 B11R1.265 COC1=C(C=CC=C1C=O)Cl CDS021098 [1,0,1,0,0,0|2,0,0]=4 104 B11R1.17 C=CCNC1=CC=CC=C1C S432768 [1,0,1,0,0,0|2,0,0]=4 105 B11R1.17 C=CCOC1=CC=CC=C1C S432911 [1,0,1,0,0,0|2,0,0]=4 106 B11R1.41 CCC1=CC=CC=C1CCN PH016764 [1,0,1,0,0,0|1,0,1]=4 107 B11R1.41 O=CC1=C(C=CC=C1)CCBr PH009837 [1,0,1,0,0,0|1,0,0]=3 108 B11R1.605 NCCC1=C(C=CC=C1F)F T151203 [1,0,1,0,0,0|2,0,0]=4 109 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [2,0,0,0,0,0|0,0,1]=3 110 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [2,0,0,0,0,0|2,0,0]=4 111 B13R1.18 C#CCNC(=O)C1=CC=CC(=C1)F CDS023303 [0,1,1,0,0,0|1,0,1]=4 112 B13R1.18 CCCNC(=O)C1=CC(=CC=C1)O EME00429 [0,1,1,0,0,0|1,0,0]=3 113 B13R1.18 CCONC(=O)C1=CC(=CC=C1)I R452734 [0,1,1,0,0,0|1,0,0]=3 114 B13R1.18 O=C(NCCO)C1=CC(=CC=C1)O EME00382 [0,1,1,0,0,0|1,0,0]=3 115 B13R1.18 O=C(NCCO)C1=CC(=CN=C1)Br EME00387 [0,1,1,0,0,0|2,0,0]=4 116 B13R1.147 CC(C)NC(=O)C1=CC=CC(=C1)N CBR01392 [0,1,1,0,0,0|1,0,0]=3 117 B13R1.147 CN(C)NC(=O)C1=CC=CC(=C1)Cl PH007551 [0,1,1,0,0,0|2,0,0]=4 118 B13R1.446 CCCC(=O)C1=C(C=CC(=C1)C)O PH004501 [0,1,1,0,0,0|1,0,0]=3 119 B13R1.446 CCOC(=O)C1=CC(=CC=C1O)Br KOB0156 [0,1,1,0,0,0|2,0,0]=4 120 B13R1.450 CCNC(=O)C1=CC(=CC(=C1)Cl)Cl R344397 [0,1,1,0,0,0|1,0,0]=3 121 B13R1.450 CCOC(=O)C1=CC(=NC(=C1)C)Cl JRD0891 [0,1,1,0,0,0|2,0,0]=4 122 B13R1.460 CCCC(=O)C1=CC=CC(=C1)OC PH010216 [0,1,1,0,0,0|1,0,0]=3 123 B13R1.460 CCNC(=O)C1=CC(=CC=C1)C#N EME00414 [0,1,1,0,0,0|0,0,1]=3 124 B13R1.460 CCOC(=O)C1=CC=CC(=C1)NN CBR00739 [0,1,1,0,0,0|2,0,0]=4 125 B13R1.460 CCOC(=O)C1=CC=CC(=C1)OC TMT00631 [0,1,1,0,0,0|1,0,0]=3 126 B13R1.466 CCCC(=O)C1=CC=C(C(=C1)C)C TMT00514 [0,1,1,0,0,0|1,0,0]=3 127 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)C)N T303518 [0,1,1,0,0,0|2,0,0]=4 128 B13R1.466 CCOC(=O)C1=CC=C(C(=C1)C)C S434248 [0,1,1,0,0,0|1,0,0]=3 129 B13R1.82 CCC1=C(C(=CC=C1)C(=O)OC)I S663417 [0,1,1,0,0,0|2,0,0]=4 130 B13R1.82 COC(=O)C1=C(C(=CC=C1)OC)C KOB0145 [0,1,1,0,0,0|1,0,0]=3 131 B13R1.82 COC(=O)C1=CC=CC(=C1N)OC CDS023454 [0,1,1,0,0,0|2,0,0]=4 132 B13R1.107 COC(=O)C1=C(C(=CC=C1)C)OC PH011141 [0,1,1,0,0,0|1,0,0]=3 133 B13R1.107 COC1=C(C=CC=C1C)C(=O)NN R701270 [0,1,1,0,0,0|1,0,0]=3 134 B13R1.1808 CCC(=O)C1=CC=C(C(=C1O)C)O R156752 [0,1,1,0,0,0|2,0,0]=4 135 B13R1.1808 CCC(=O)C1=CC=C(C(=C1O)C)O S463744 [0,1,1,0,0,0|2,0,0]=4 136 B13R1.1808 COC(=O)C1=CC=C(C(=C1C)C)C S53318 [0,1,1,0,0,0|1,0,0]=3 137 B13R1.4789 CCC(=O)C1=CC(=CC(=C1O)C)C JRD1481 [0,1,1,0,0,0|2,0,0]=4 138 B13R1.4789 COC(=O)C1=CC(=CC(=C1C)N)Br CDS022798 [0,1,1,0,0,0|2,0,0]=4 139 B13R1.2137 COC1=C(C(=CC=C1)C(=O)C)OC IDF00009 [0,1,1,0,0,0|2,0,0]=4 140 B13R1.2137 COC1=C(C(=CC=C1)C(=O)N)OC S751898 [0,1,1,0,0,0|1,0,0]=3 141 B13R1.2137 COC1=CC=CC(=C1OC)C(=S)N PH015284 [0,1,1,0,0,0|1,1,0]=4 142 B13R1.158 CC1=CC=CC=C1CCCC(=O)O R245283 [0,1,1,0,0,0|1,0,0]=3 143 B13R1.158 CC1=CC=CC=C1SCCC(=O)O S849561 [0,1,1,0,0,0|2,0,0]=4 144 B13R1.158 NC1=CC=CC=C1CCCC(=O)O PH003105 [0,1,1,0,0,0|2,0,0]=4 145 B13R1.3904 C(=O)C1=C(C(=CC=C1)OC)OCC S427764 [0,1,1,0,0,0|2,0,0]=4 146 B13R2.32 CN1C=NC2=CC=CC=C2C1=O PH003333 [1,1,0,0,0,0|1,0,1]=4 147 B13R2.162 CC1=CC2=C(C=C1)CCCC2=O S489034 [1,1,0,0,0,0|1,0,0]=3 148 B13R2.162 NC1=CC2=C(C=C1)CCNC2=O CDS024424 [1,1,0,0,0,0|0,0,0]=2 149 B13R2.162 NC1=CC=C2C=CNC(=O)C2=C1 CDS024382 [1,1,0,0,0,0|0,0,2]=4 150 B13R2.162 NC1=CC=C2CCCC(=O)C2=C1 CDS006837 [1,1,0,0,0,0|1,0,0]=3 151 B13R2.162 O=C1CCCC2=C1C=C(C=C2)O PH010225 [1,1,0,0,0,0|1,0,0]=3 152 B13R2.162 O=C1CCCC2=CC=C(C=C12)Cl JRD0695 [1,1,0,0,0,0|1,0,0]=3 153 B13R2.162 O=C1CCOC2=CC=C(C=C12)O PH006899 [1,1,0,0,0,0|2,0,0]=4 154 B13R2.162 O=C1CC[Se]C2=C1C=C(C=C2)Br S849855 [1,1,0,0,0,0|2,0,0]=4 155 B13R2.162 O=C1NC=NC2=CC=C(C=C12)I TMT00177 [1,1,0,0,0,0|1,0,1]=4 156 B13R2.328 NC1=NC2=CC=CC=C2C(=O)N1 CDS020257 [1,1,0,0,0,0|1,0,1]=4 157 B13R2.371 CC1=NNC(=O)C2=CC=CC=C12 S246468 [1,1,0,0,0,0|1,0,1]=4 158 B13R2.371 CN1CCC(=O)C2=CC=CC=C12 PH003691 [1,1,0,0,0,0|2,0,0]=4 159 B13R2.371 O=C1NC=C(C2=CC=CC=C12)Br SYX00211 [1,1,0,0,0,0|0,0,2]=4 160 B13R2.371 O=C1NCC(C2=CC=CC=C12)O PH004949 [1,1,0,0,0,0|0,0,0]=2 161 B13R2.371 O=C1NN=C(C2=C1C=CC=C2)Cl T160946 [1,1,0,0,0,0|1,0,1]=4 162 B13R2.371 O=C1NN=C(C2=C1C=CC=C2)[O-] S849197 [1,1,0,0,0,0|1,0,1]=4 163 B13R2.1613 CCC1NCCC2=C1C=CC=C2 PH016245 [1,1,0,0,0,0|1,0,1]=4 164 B13R2.1613 O/N=C/1\CCCC2=C1C=CC=C2 S702498 [1,1,0,0,0,0|1,0,1]=4 165 B13R2.4818 O=C1CCNC2=CC=CC(=C12)Cl PH002869 [1,1,0,0,0,0|2,0,0]=4 166 B13R2.4818 O=C1NC=NC2=C1C(=CC=C2)Cl R745960 [1,1,0,0,0,0|1,0,1]=4 167 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCC2 S58085 [1,1,0,0,0,0|1,0,0]=3 168 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCO2 PH002854 [1,1,0,0,0,0|2,0,0]=4 169 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NC=N2 S658324 [1,1,0,0,0,0|1,0,1]=4 170 B13R2.5179 NC1=CC=C2C(=O)NC=CC2=C1 CDS023842 [1,1,0,0,0,0|0,0,2]=4 171 B13R2.5179 O=C1C=C2CCCC(=O)C2=CN1 PH008527 [1,1,0,0,0,0|2,0,0]=4 172 B13R2.5179 O=C1C=CC2=C(N1)CCCC2=O T326186 [1,1,0,0,0,0|2,0,0]=4 173 B13R2.5179 O=C1CCCC2=C1C=CC(=C2)Br T263710 [1,1,0,0,0,0|1,0,0]=3 174 B13R2.5179 O=C1CCCC2=CC(=CC=C12)Cl JRD0960 [1,1,0,0,0,0|1,0,0]=3 175 B13R2.5179 O=C1CCOC2=CC(=CC=C12)O PH011288 [1,1,0,0,0,0|2,0,0]=4 176 B13R2.573 COC1=C2CCC(C2=CC=C1)N CDS020987 [0,1,0,0,1,0|1,0,1]=4 177 B13R2.3742 CC1=CC(=CC2=C1SCC2=O)Cl S741671 [0,1,0,0,1,0|1,0,0]=3 178 B13R2.3742 O=C1CCC2=C(C=C(C=C12)F)Cl RNI00131 [0,1,0,0,1,0|1,0,0]=3 179 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O S639125 [0,1,0,0,1,0|1,0,1]=4 180 B13R2.5151 CC1=CC=C(C2=C1C(=O)CC2)O S740462 [0,1,0,0,1,0|1,0,0]=3 181 B13R2.5151 O=C1CCC2=C1C(=CC=C2Cl)O CDS007876 [0,1,0,0,1,0|1,0,0]=3 182 B13R2.5151 O=C1CSC2=C1C(=CC=C2Cl)Cl S742422 [0,1,0,0,1,0|2,0,0]=4 183 B15R2.42442 NC1CCOC2=C(C=CC=C2C1=O)F OTV000822 [0,1,0,0,0,1|2,0,0]=4 184 B15R2.5778 CCN1C(=O)C=CC2=C1CCCC2=O PH014549 [0,2,0,0,0,0|2,0,0]=4 185 B15R2.5778 O=C1CCCC2=C1C=CC(=C2CCl)O PH001637 [0,2,0,0,0,0|1,0,0]=3 186 B15R2.13611 O=C(O)C1=CC=CC2=C1CCCC2=O CDS008588 [0,2,0,0,0,0|1,0,1]=4 187 B15R2.20805 COC1=CC=CC\2=C1CCC/C2=N\O R175226 [0,2,0,0,0,0|1,0,1]=4 188 B15R2.22238 COC1=CC=C(C2=C1CCCC2=O)O PH007772 [0,2,0,0,0,0|1,0,0]=3 189 B15R2.22238 COC1=CC=C(C2=C1OCCC2=O)N T311707 [0,2,0,0,0,0|2,0,0]=4 190 B15R2.13626 CC1=CC(=C(C2=C1C(=O)CCO2)C)C PH010270 [0,2,0,0,0,0|2,0,0]=4 191 B15R2.22378 COC1=C(C2=C(C=C1)C(=O)CCC2)Br L168254 [0,2,0,0,0,0|2,0,0]=4 192 B15R2.22378 COC1=C(C2=C(C=C1)C(=O)CCC2)C S859982 [0,2,0,0,0,0|1,0,0]=3 193 B15R2.2743 COC1=CC2=C(CCCC2=O)C(=C1)C PH007903 [0,2,0,0,0,0|1,0,0]=3 194 B15R2.13615 CC1=C2OC(CC(=O)C2=CC=C1)(C)C PH014247 [0,2,0,0,0,0|2,0,0]=4 195 B15R2.89220 COC1=CC=C(C2=C1C(=O)CCC2)O PH007771 [0,2,0,0,0,0|2,0,0]=4 196 B13R2.13 CC1=CC(=CC=C1)C2NCCS2 T149330 [0,0,1,1,0,0|0,1,1]=4 197 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 T203084 [0,0,1,1,0,0|1,0,0]=3 198 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T167568 [0,0,1,1,0,0|2,0,0]=4 199 B15R3.10159 O=C1CCC2CNC3=CC=CC1=C23 PH009662 [0,1,0,1,0,0|1,0,0]=3 200 B11R1.199 CCCC(=O)C1=C(C=CS1)C S593311 [0,0,1,0,1,0|2,0,0]=4 201 B11R1.199 N1C=CC(=C1C)C(=O)OCC S941077 [0,0,1,0,1,0|2,0,0]=4 202 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [1,0,0,0,1,0|0,0,0]=2 203 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [1,0,0,0,1,0|2,0,0]=4 204 B11R2.106 CC1=C2C=NNC2=CC=C1 CBR00232 [1,0,0,0,1,0|1,0,1]=4 205 B11R2.106 CC1=C2NN=CC2=CC=C1 CBR00226 [1,0,0,0,1,0|1,0,1]=4 206 B11R2.106 O=C1NCCC2=C1C=CN2 PH003760 [1,0,0,0,1,0|1,0,0]=3 207 B13R1.20 CCCC(=O)NC1=CC(=CC=C1)F S732389 [0,0,1,0,0,1|2,0,0]=4 208 B13R1.20 CCCC(=O)NC1=CC(=CC=C1)N R703192 [0,0,1,0,0,1|2,0,0]=4 209 B13R1.20 CCNC(=O)NC1=CC(=CC=C1)C S646628 [0,0,1,0,0,1|0,0,0]=2 210 B13R1.20 CCNC(=O)NC1=CC=CC(=C1)Br S711098 [0,0,1,0,0,1|1,0,0]=3 211 B13R1.20 CCNC(=O)NC1=CC=CC(=C1)Cl S623717 [0,0,1,0,0,1|1,0,0]=3 212 B13R1.20 CCNC(=S)NC1=CC(=CC=C1)C S553808 [0,0,1,0,0,1|0,1,0]=3 213 B13R1.20 CCOC(=O)NC1=CC(=CC=C1)Cl S361569 [0,0,1,0,0,1|2,0,0]=4 214 B13R1.20 CCOC(=O)NC1=CC=CC(=C1)N CBR02372 [0,0,1,0,0,1|2,0,0]=4 215 B13R1.20 CCOC(=O)OC1=CC=CC(=C1)C S590789 [0,0,1,0,0,1|1,0,0]=3 216 B13R1.40 CC1=CC=CC(=C1C)NC(=O)C#N S744239 [0,0,1,0,0,1|2,0,0]=4 217 B13R1.40 CC1=CC=CC(=C1C)NC(=O)CCl S188840 [0,0,1,0,0,1|2,0,0]=4 218 B13R1.40 CC1=CC=CC(=C1C)NC(=O)CCl S391727 [0,0,1,0,0,1|2,0,0]=4 219 B13R1.40 CC1=CC=CC(=C1C)NC(=O)CI L172642 [0,0,1,0,0,1|2,0,0]=4 220 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)Br)C R131431 [0,0,1,0,0,1|2,0,0]=4 221 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)C)C S890294 [0,0,1,0,0,1|1,0,0]=3 222 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)Cl)C S555355 [0,0,1,0,0,1|2,0,0]=4 223 B13R1.40 CNC(=O)NC1=C(C(=CC=C1)C)C S644021 [0,0,1,0,0,1|0,0,0]=2 224 B13R1.40 CNC(=O)NC1=CC=CC(=C1Cl)Cl S623687 [0,0,1,0,0,1|2,0,0]=4 225 B13R1.40 CNC(=O)OC1=CC=CC(=C1C)C PH009025 [0,0,1,0,0,1|0,0,0]=2 226 B13R1.40 CS/C(=N/C1=C(C(=CC=C1)C)C)/N PH013516 [0,0,1,0,0,1|2,0,0]=4 227 B13R2.5252 O=C1CCCSC2=C1C=CC=C2 S761877 [1,0,0,0,0,1|1,0,0]=3 228 B13R2.5252 O=C1NCCCC2=CC=CC=C12 CDS005171 [1,0,0,0,0,1|0,0,0]=2 229 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 S682403 [1,0,0,0,0,1|0,0,0]=2