0 B8R0.28 C=C(C)CCCC(C)C T70747 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.28 CC(=O)CCCC(C)=O AC9369 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.28 CC(=O)CCCN(C)C AC6136 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.28 CC(C)CNCC(C)C A11894 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.28 CC(C)C\C=C\C(=O)O 81164 [0,0,0,0,0,0|0,0,2]=2 6 B8R0.28 CC(C)C\C=C\C(N)=O 81121 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.28 CN(C)CCCC(=O)O A11102 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.28 CN(C)CCNC(N)=S AT25002 [0,0,0,0,0,0|3,1,0]=4 9 B8R0.28 CN(C)C\C=C\C(N)=O D73436 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.28 NC(=O)NCCC(=O)O A12540 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.4 C#CCNCC(=O)O AT20711 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.4 C#CCOCC(=O)O AT18966 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.4 C#CCSCC(=O)O AT18970 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.4 C=CCOCC(=O)O D77063 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.4 CC(=O)NCCCN AR2174 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.4 CC(C)CSCCN AT25570 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.4 CC(C)OCCON AT14483 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.4 CCCCCC(N)=S W19000 [1,0,0,0,0,0|1,1,0]=3 19 B7R0.4 CCNCCC(N)=O A11725 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.4 CC\C=C/CC(=O)O F18341 [1,0,0,0,0,0|0,0,2]=3 21 B7R0.4 CN(C)CCCCN V10255 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.4 CNCCCC(N)=O AB11605 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.4 CNCCNC(C)=O C77870 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.4 COCCC[N+](=O)[O-] E70181 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.4 COC\C=C\C(=O)O P17072 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.4 C[S@](=O)CCCCN 13216 [1,0,0,0,0,0|3,0,0]=4 27 B7R0.4 NC(=O)CCCCBr AC9465 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.4 NC(=O)CCCCCl AC5718 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.4 NCCCCC(N)=O AC3685 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.4 NCCSCC(=O)O AT25571 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.4 O=C(Cl)COCCCl AT18762 [1,0,0,0,0,0|3,0,0]=4 32 B9R0.1 CC[C@H](C)CCCC(C)C T70540 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.1 CC[C@H](C)OCCC(C)=O T71083 [0,1,0,0,0,0|2,0,0]=3 34 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50387 [0,1,0,0,0,0|0,0,2]=3 35 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50388 [0,1,0,0,0,0|0,0,2]=3 36 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50389 [0,1,0,0,0,0|0,0,2]=3 37 B9R0.7 CC(C)COC(=O)C(=O)Cl S11943 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.7 O=C(O)CC[C@H](O)C(=O)O FD21404 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(=O)O 41401 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52003 [0,1,0,0,0,0|0,0,0]=1 41 B9R0.56 CC(=O)SCC[N+](C)(C)C C15407 [0,1,0,0,0,0|3,0,0]=4 42 B9R0.56 CC(C)OCCS(N)(=O)=O AT20628 [0,1,0,0,0,0|2,0,1]=4 43 B9R0.56 CN(C)CCCS(=O)(=O)Cl F16754 [0,1,0,0,0,0|2,0,1]=4 44 B9R0.56 CS(=O)(=O)CCCC(=O)O AT13642 [0,1,0,0,0,0|2,0,0]=3 45 B9R0.56 C[Si](C)(C)CCOC(=O)Cl S11034 [0,1,0,0,0,0|2,1,0]=4 46 B9R0.56 O=C(O)CCCP(=O)(O)O T72478 [0,1,0,0,0,0|3,0,0]=4 47 B9R0.56 O=C(O)CSCC(F)(F)F AT25495 [0,1,0,0,0,0|3,0,0]=4 48 B9R0.56 [2H]C([2H])(C)CCCC(=O)O D98190 [0,1,0,0,0,0|1,0,0]=2 49 B9R0.56 [2H]C([2H])([2H])CCCC(=O)O D98976 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.35 CC(=O)N1CC[C@H](N)C1 C72166 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53665 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.35 CC(C)N1CC[C@H](O)C1 F14624 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.35 CC(C)[C@@H]1CC(=O)CN1 94320 [0,0,0,1,0,0|2,0,0]=3 54 B9R1.35 CC1=NO[C@H](C(=O)O)C1 H10561 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.35 CN1CC[C@H](C(=O)O)C1 P14492 [0,0,0,1,0,0|1,0,0]=2 56 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11433 [0,0,0,1,0,0|1,0,0]=2 57 B9R1.35 NC1CNC(C(=O)O)C1 F19644 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 86111 [0,0,0,1,0,0|1,0,2]=4 59 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AC1030 [0,0,0,1,0,0|1,0,0]=2 60 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 S11069 [0,0,0,1,0,0|1,0,0]=2 61 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 C15010 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 C74364 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.35 O=C(O)C1CC(F)CN1 39473 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 P13403 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 P14546 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P10236 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P11252 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P15832 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.53 CC(=O)N[C@H]1C[C@H](N)C1 W10919 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.53 NC1CN(CC(=O)O)C1 AT21897 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.53 O=C(O)C[C@H]1CC(=O)N1 AT19045 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.66 CC1(C)CC(=O)CCS1 89936 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.66 CC1(C)CC=CC(=O)C1 F12457 [0,0,0,1,0,0|1,0,2]=4 74 B9R1.66 CC1(C)CCC[C@H](O)C1 F20634 [0,0,0,1,0,0|1,0,1]=3 75 B9R1.66 CC1(C)COC[C@@H](N)O1 65986 [0,0,0,1,0,0|2,0,1]=4 76 B9R1.66 CC1(C)C[C@@H](O)CCN1 Y10086 [0,0,0,1,0,0|2,0,1]=4 77 B9R1.66 C[C@H]1CCCC(C)(C)C1 T72270 [0,0,0,1,0,0|2,0,1]=4 78 B9R1.66 C[C@H]1CS(=O)(=O)CCN1 AT10760 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.66 C[C@H]1CS(=O)(=O)CCN1 AT10761 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.66 N[C@H]1CCCS(=O)(=O)C1 AT10979 [0,0,0,1,0,0|2,0,1]=4 81 B9R1.66 O=S1(=O)CCC[C@H](O)C1 AT13041 [0,0,0,1,0,0|2,0,1]=4 82 B9R1.85 O=C(O)CCNC1CC1 AC5323 [0,0,0,1,0,0|1,0,0]=2 83 B9R1.85 O=C(O)COCC1CC1 12497 [0,0,0,1,0,0|1,0,0]=2 84 B9R1.150 CC1(C)CCC[C@]1(C)N F53828 [0,0,0,1,0,0|2,0,1]=4 85 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O P18271 [0,0,0,1,0,0|2,0,1]=4 86 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F AT10668 [0,0,0,1,0,0|2,0,0]=3 87 B7R0.6 C=C(Br)CCC(=O)O C11119 [0,0,0,0,1,0|1,0,2]=4 88 B7R0.6 CC(=S)NCC(=O)O D92690 [0,0,0,0,1,0|2,0,1]=4 89 B7R0.6 CC(C)CC[C@H](C)N C11213 [0,0,0,0,1,0|2,0,1]=4 90 B7R0.6 CC(C)OC[C@H](C)O T72421 [0,0,0,0,1,0|2,0,1]=4 91 B7R0.6 C[S+](C)CCC(=O)[O-] F16477 [0,0,0,0,1,0|1,0,1]=3 92 B9R0.55 CN(C)CCCSC(=N)N AT25541 [0,0,0,0,0,1|3,0,0]=4 93 B9R0.55 O=C(O)CCCC[13C](=O)O D98793 [0,0,0,0,0,1|2,0,1]=4 94 B6R0.4 C=C(C)CCCO 71061 [2,0,0,0,0,0|0,0,2]=4 95 B6R0.4 CC#CCC(=O)O AT21835 [2,0,0,0,0,0|0,0,2]=4 96 B6R0.4 CC(C)CCNN AC3937 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.4 CC(C)OCCS AT13760 [2,0,0,0,0,0|1,1,0]=4 98 B6R0.4 CCNCC(=O)O T72729 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.4 CNCCC(N)=O C78256 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.4 C[C@H](N)CCCO AT20758 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.4 C[C@H](O)CCCBr A11305 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.4 C[C@H](O)CCCN AT20756 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.4 NC(=O)CCCO AT20755 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.4 NCCCC(=O)O T70552 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.4 NCCCC(N)=O AC5898 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.4 NOCCC(=O)O AT14539 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.6 O=CNCCCO AC9004 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.6 [2H]OCCCCC D99155 [2,0,0,0,0,0|2,0,0]=4 109 B8R0.5 C=CC[C@H](N)CC(=O)O 77811 [1,1,0,0,0,0|0,0,2]=4 110 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [1,1,0,0,0,0|2,0,0]=4 111 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [1,1,0,0,0,0|0,0,0]=2 112 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [1,1,0,0,0,0|0,0,0]=2 113 B8R0.6 C#C[C@@H](O)CCCCC 51060 [1,1,0,0,0,0|1,0,1]=4 114 B8R0.6 C#C[C@@H](O)CCCCC T72294 [1,1,0,0,0,0|1,0,1]=4 115 B8R0.6 CC[C@H](C)CCCCO T72651 [1,1,0,0,0,0|0,0,1]=3 116 B8R0.6 COC(=O)NCCCN AT13710 [1,1,0,0,0,0|2,0,0]=4 117 B8R0.7 CC(=O)NCCCCN S12336 [1,1,0,0,0,0|2,0,0]=4 118 B8R0.7 CCCCC#CC(=O)O T71801 [1,1,0,0,0,0|0,0,1]=3 119 B8R0.7 CCCCNCC(=O)O D87235 [1,1,0,0,0,0|0,0,0]=2 120 B8R0.7 CNCCCNC(C)=O C78307 [1,1,0,0,0,0|2,0,0]=4 121 B8R0.7 NC(=O)CCCCCO AC6170 [1,1,0,0,0,0|1,0,0]=3 122 B8R0.7 O=C(O)CCOCCBr C70446 [1,1,0,0,0,0|1,0,0]=3 123 B8R0.7 O=C(O)CCOCCO C70447 [1,1,0,0,0,0|1,0,0]=3 124 B8R0.7 O=CNCCCC(=O)O AB3831 [1,1,0,0,0,0|1,0,1]=4 125 B8R0.7 [2H][C@H](O)CCCCCC D99646 [1,1,0,0,0,0|1,0,1]=4 126 B8R0.8 C=CCC[C@H](N)C(=O)O AT23573 [1,1,0,0,0,0|0,0,2]=4 127 B8R0.8 C=CCC[C@H](N)C(=O)O AT23574 [1,1,0,0,0,0|0,0,2]=4 128 B8R0.8 CC#CC[C@H](N)C(=O)O C15512 [1,1,0,0,0,0|0,0,2]=4 129 B8R0.8 CCCC[C@H](C)C(C)C T70746 [1,1,0,0,0,0|1,0,1]=4 130 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [1,1,0,0,0,0|1,0,0]=3 131 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [1,1,0,0,0,0|1,0,0]=3 132 B8R0.9 CC(C)CC[C@H](N)CO AT16865 [1,1,0,0,0,0|0,0,1]=3 133 B8R0.9 [15NH2]CC(=O)CCC(=O)O D98679 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.21 CC(C)(C)NCCCO W10522 [1,1,0,0,0,0|1,0,1]=4 135 B8R0.21 CC(C)(C)OCCC=O AT13970 [1,1,0,0,0,0|1,0,0]=3 136 B8R0.21 CC(C)(C)OCCCO AT13983 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.21 COCCCS(=O)(=O)O AC6285 [1,1,0,0,0,0|2,0,0]=4 138 B8R0.21 [2H]C([2H])(O)CCCCC D99028 [1,1,0,0,0,0|1,0,1]=4 139 B8R0.23 CC(C)O[C@@H](C)C(=O)O AT22894 [0,1,0,0,1,0|1,0,0]=3 140 B8R0.23 CC(C)[C@@H](O)C[N+](=O)[O-] V10283 [0,1,0,0,1,0|1,0,1]=4 141 B8R0.23 CN(C)C[C@H](N)C(=O)O 51291 [0,1,0,0,1,0|1,0,0]=3 142 B8R0.23 CN(C)C[C@H](N)C(=O)O D75181 [0,1,0,0,1,0|1,0,0]=3 143 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O AC8171 [0,1,0,0,1,0|1,0,0]=3 144 B8R0.23 N[C@@H](CC(F)F)C(=O)O F53560 [0,1,0,0,1,0|2,0,0]=4 145 B8R0.29 CC(=O)CSC(C)(C)C F17486 [0,1,0,0,1,0|2,0,0]=4 146 B8R0.29 CC(C)(C)SCC(=O)O AT13960 [0,1,0,0,1,0|1,0,0]=3 147 B8R0.29 CP(C)(=O)CCC(=O)O AT13420 [0,1,0,0,1,0|1,0,0]=3 148 B10R0.15 [2H]C([2H])([2H])CCCCC(=O)O D97910 [0,1,0,0,0,1|2,0,0]=4 149 B10R0.55 NCC(=O)NCCCC(=O)O T72296 [0,1,0,0,0,1|1,0,1]=4 150 B10R0.98 CN(C)CCC[C@H](N)C(=O)O F14408 [0,1,0,0,0,1|1,0,0]=3 151 B10R0.98 C[C@H](N)C(=O)NCCC(=O)O C15923 [0,1,0,0,0,1|1,0,1]=4 152 B10R0.44 CC[C@H](C)C\C(C)=C\C(=O)O C15343 [0,2,0,0,0,0|0,0,2]=4 153 B10R0.82 CNC(=O)CC[C@H](N)C(=O)O AC6186 [0,2,0,0,0,0|1,0,1]=4 154 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 43932 [0,2,0,0,0,0|1,0,1]=4 155 B10R0.12 N[C@@H](CCC(=O)O)C(F)(F)F 52476 [0,2,0,0,0,0|2,0,0]=4 156 B10R0.43 CN(C)S(=O)(=O)CCC(=O)O AT20610 [0,2,0,0,0,0|2,0,0]=4 157 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O C77965 [0,2,0,0,0,0|1,0,0]=3 158 B10R0.92 CC(C)(C)OC[C@H](O)C(=O)O 70226 [0,2,0,0,0,0|1,0,0]=3 159 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O 74100 [0,2,0,0,0,0|2,0,0]=4 160 B10R0.92 CS(=O)(=O)CC[C@H](O)C(=O)O 43973 [0,2,0,0,0,0|2,0,0]=4 161 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O 96817 [0,2,0,0,0,0|2,0,0]=4 162 B10R0.31 CC(C)(C)C[C@H](N)CC(=O)O N14205 [0,2,0,0,0,0|0,0,0]=2 163 B10R0.70 C=C(C)C[C@H](CN)CC(=O)O F19500 [0,2,0,0,0,0|0,0,2]=4 164 B10R0.70 CC(C)=C[C@H](CN)CC(=O)O F19337 [0,2,0,0,0,0|0,0,2]=4 165 B10R0.70 CC(C)C[C@H](C#N)CC(=O)O 88655 [0,2,0,0,0,0|0,0,0]=2 166 B10R0.70 CC(C)C[C@H](CN)CC(=O)O C14860 [0,2,0,0,0,0|0,0,0]=2 167 B8R1.1 CC1CC(CO)CN1 W10508 [1,0,0,1,0,0|1,0,1]=4 168 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [1,0,0,1,0,0|1,0,0]=3 170 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [1,0,0,1,0,0|1,0,0]=3 171 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [1,0,0,1,0,0|2,0,0]=4 172 B8R1.1 NC[C@H]1CNC(=O)O1 P12528 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [1,0,0,1,0,0|1,0,0]=3 174 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.1 OCC1CCC(F)C1 AT22250 [1,0,0,1,0,0|1,0,1]=4 177 B8R1.4 CC1CCOS(=O)O1 A12529 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.4 CN1CCCC(=O)C1 C14007 [1,0,0,1,0,0|1,0,0]=3 179 B8R1.4 CN1CCC[C@H](O)C1 AC6069 [1,0,0,1,0,0|1,0,1]=4 180 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [1,0,0,1,0,0|1,0,0]=3 181 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [1,0,0,1,0,0|0,0,0]=2 182 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [1,0,0,1,0,0|1,0,0]=3 183 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.4 C[C@H]1CNC[C@@H](O)C1 AT13824 [1,0,0,1,0,0|1,0,1]=4 185 B8R1.4 C[C@H]1C[C@@H](O)CCN1 P12569 [1,0,0,1,0,0|1,0,1]=4 186 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.4 N[C@H]1CCC[C@H](O)C1 F11499 [1,0,0,1,0,0|1,0,1]=4 188 B8R1.4 N[C@H]1CCC[C@H](O)C1 P19975 [1,0,0,1,0,0|1,0,1]=4 189 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [1,0,0,1,0,0|1,0,0]=3 190 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.7 CC(C)C1CCCC1 T72412 [1,0,0,1,0,0|1,0,1]=4 195 B8R1.7 CC(C)[C@@H]1CCCN1 P10941 [1,0,0,1,0,0|1,0,1]=4 196 B8R1.7 CC(C)[C@@H]1CCCN1 P12433 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.7 CC(N)C1CCCO1 D75138 [1,0,0,1,0,0|1,0,1]=4 198 B8R1.7 C[C@H](N)C1CCCO1 79855 [1,0,0,1,0,0|1,0,1]=4 199 B8R1.7 C[C@H](N)C1CCCO1 79856 [1,0,0,1,0,0|1,0,1]=4 200 B8R1.7 C[C@H](N)C1CCCO1 79857 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.7 C[C@H](N)C1CCCO1 79858 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.7 N=C(N)C1CCCC1 71790 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.7 NC(=O)[C@H]1CCNC1 P11232 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.7 NC(=S)C1CCCC1 N13298 [1,0,0,1,0,0|1,1,0]=4 205 B8R1.7 O=C(Cl)[C@H]1CCOC1 A12769 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [1,0,0,1,0,0|1,0,0]=3 207 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [1,0,0,1,0,0|1,0,0]=3 208 B8R1.7 O=C(O)[C@@H]1CCNO1 AT14856 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.19 CC1(C)CCC[C@@H]1N P20914 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.19 CC1(C)CNC[C@@H]1O AT22517 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.19 CC1(C)CNC[C@@H]1O W18256 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.22 C[C@H]1COCCCN1 AT11435 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [1,0,0,1,0,0|1,0,0]=3 214 B8R1.34 CC(C)CC1CNC1 E71784 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.34 O=C(Cl)CC1CCC1 AT23645 [1,0,0,1,0,0|1,0,0]=3 216 B8R1.34 O=C(O)CC1CNC1 A50755 [1,0,0,1,0,0|1,0,0]=3 217 B8R1.34 O=C(O)CC1CNC1 P10897 [1,0,0,1,0,0|1,0,0]=3 218 B8R1.35 O=C(Cl)OCC1CC1 C77515 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.36 CCCCC[C@H]1CO1 T72538 [1,0,0,1,0,0|1,0,1]=4 220 B8R1.43 CCC1CC1C(=O)O AT12378 [1,0,0,1,0,0|0,0,0]=2 221 B8R1.72 CC1(C)CCCCN1 AT24213 [1,0,0,1,0,0|1,0,1]=4 222 B8R1.72 CC1(C)CCCNC1 F30179 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.72 N=S1(=O)CCCCC1 AT11345 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [0,0,0,1,1,0|2,0,0]=4 225 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [0,0,0,1,1,0|2,0,0]=4 226 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [0,0,0,1,1,0|2,0,0]=4 227 B8R1.3 O=C1CCC(Br)CC1 C77503 [0,0,0,1,1,0|2,0,0]=4 228 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 37681 [0,0,0,1,1,0|0,0,0]=2 229 B8R1.23 NC1CC(C(=O)O)C1 87717 [0,0,0,1,1,0|1,0,0]=3 230 B8R1.51 CC1(C)CC(=O)CO1 P20320 [0,0,0,1,1,0|2,0,0]=4 231 B8R1.51 CC1(C)CC(=O)CS1 31047 [0,0,0,1,1,0|2,0,0]=4 232 B8R1.77 O=C(O)C1CC1(F)Br F50745 [0,0,0,1,1,0|2,0,0]=4 233 B10R1.54 CC(=O)O[C@H]1CC[C@H](N)C1 C93262 [0,0,0,1,0,1|2,0,0]=4 234 B10R1.54 CN1CC[C@H](CC(=O)O)C1 C77745 [0,0,0,1,0,1|1,0,0]=3 235 B10R1.54 O=C(O)CC1CCC(O)C1 AT26924 [0,0,0,1,0,1|1,0,0]=3 236 B10R1.54 O=C(O)CN1CCC(=O)C1 W10201 [0,0,0,1,0,1|1,0,1]=4 237 B10R1.54 O=C(O)CN1CC[C@H](O)C1 S11123 [0,0,0,1,0,1|1,0,0]=3 238 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 88864 [0,0,0,1,0,1|1,0,1]=4 239 B10R1.54 O=C(O)C[C@H]1C[C@H](O)CN1 FD10331 [0,0,0,1,0,1|1,0,0]=3 240 B10R1.113 CC(=O)N1CCC[C@H](N)C1 C14349 [0,0,0,1,0,1|2,0,0]=4 241 B10R1.113 CC(=O)N1CCC[C@H](O)C1 AB7340 [0,0,0,1,0,1|2,0,0]=4 242 B10R1.113 CC(=O)N1CCC[C@H](O)C1 C16296 [0,0,0,1,0,1|2,0,0]=4 243 B10R1.113 CC(=O)N1CCC[C@H](O)C1 F17732 [0,0,0,1,0,1|2,0,0]=4 244 B10R1.113 CC(C)N1CCCC(=O)C1 62868 [0,0,0,1,0,1|1,0,0]=3 245 B10R1.113 CC(C)[C@@H]1CC(=O)CCN1 70965 [0,0,0,1,0,1|1,0,0]=3 246 B10R1.113 CC1CC(C(=O)O)CCN1 88368 [0,0,0,1,0,1|0,0,0]=2 247 B10R1.113 CN(C)C1=CC(=O)CCC1 AB10319 [0,0,0,1,0,1|2,0,0]=4 248 B10R1.113 CN(C)[C@H]1CCCC(=O)C1 D73606 [0,0,0,1,0,1|2,0,0]=4 249 B10R1.113 CN1CCN[C@H](C(=O)O)C1 AB2925 [0,0,0,1,0,1|1,0,0]=3 250 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17615 [0,0,0,1,0,1|1,0,0]=3 251 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18898 [0,0,0,1,0,1|1,0,0]=3 252 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18902 [0,0,0,1,0,1|1,0,0]=3 253 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P11798 [0,0,0,1,0,1|1,0,0]=3 254 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 70893 [0,0,0,1,0,1|1,0,1]=4 255 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 C14251 [0,0,0,1,0,1|1,0,1]=4 256 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O F30669 [0,0,0,1,0,1|0,0,0]=2 257 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O 27464 [0,0,0,1,0,1|0,0,0]=2 258 B10R1.128 CC1(C)SCN[C@@H]1C(=O)O A12302 [0,0,0,1,0,1|1,0,0]=3 259 B10R1.128 O=C(O)[C@H]1CNCC1(F)F W16366 [0,0,0,1,0,1|2,0,0]=4 260 B10R1.361 CC(=O)N1CC[C@H]1C(=O)O A50756 [0,0,0,1,0,1|1,0,1]=4 261 B10R1.13 CC(C)C1=NNC(=O)CC1 F12620 [0,1,0,1,0,0|1,0,1]=4 262 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 AT12689 [0,1,0,1,0,0|1,0,0]=3 263 B10R1.13 C[C@@H]1CC[C@H](C(=O)O)CN1 C90710 [0,1,0,1,0,0|0,0,0]=2 264 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CN1 F18655 [0,1,0,1,0,0|0,0,0]=2 265 B10R1.13 NC(=O)C1CCC(O)CC1 P18990 [0,1,0,1,0,0|2,0,0]=4 266 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 P10634 [0,1,0,1,0,0|1,0,1]=4 267 B10R1.14 COC(=O)C1CCC(N)C1 F31402 [0,1,0,1,0,0|1,0,0]=3 268 B10R1.14 COC(=O)N1CC[C@H](O)C1 AT22495 [0,1,0,1,0,0|2,0,0]=4 269 B10R1.14 COC(=O)[C@@H]1C[C@H](N)CO1 F50103 [0,1,0,1,0,0|2,0,0]=4 270 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P17296 [0,1,0,1,0,0|1,0,0]=3 271 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 S10609 [0,1,0,1,0,0|1,0,0]=3 272 B10R1.31 CC(=O)N1CC[C@H](CO)C1 P19907 [0,1,0,1,0,0|2,0,0]=4 273 B10R1.171 CC1(C)CCC[C@H](C=O)C1 AT26803 [0,1,0,1,0,0|1,0,1]=4 274 B10R1.194 CC1=C(C(=O)O)CC[C@@H]1O 97942 [0,1,0,1,0,0|1,0,1]=4 275 B10R1.350 CC1(CCCC(=O)O)CC1 C15726 [0,1,0,1,0,0|0,0,0]=2 276 B10R1.408 COC(=O)[C@H]1C[C@@H]1C(=O)O P19172 [0,1,0,1,0,0|1,0,1]=4 277 B10R1.485 C[C@]1(C#N)CCCC(=O)C1 D77342 [0,1,0,1,0,0|1,0,1]=4 278 B10R1.147 CC1(C)CO[C@@H](F)C(=O)N1 W16485 [0,1,0,1,0,0|2,0,0]=4 279 B10R1.211 O=C(O)CCC(=O)C1CC1 C15943 [0,1,0,1,0,0|0,0,1]=3 280 B10R1.349 CN(C)[C@H]1C[C@@H](C(=O)O)C1 W19428 [0,1,0,1,0,0|1,0,0]=3 281 B10R1.349 O=C(O)C1CC(C(F)F)C1 P21036 [0,1,0,1,0,0|2,0,0]=4 282 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 AT23798 [0,1,0,1,0,0|0,0,0]=2 283 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 AT21812 [0,1,0,1,0,0|1,0,0]=3 284 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 P11128 [0,1,0,1,0,0|1,0,0]=3 285 B10R1.359 CC1(C)OC[C@@H](C(=O)O)O1 60071 [0,1,0,1,0,0|1,0,0]=3 286 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 P13610 [0,1,0,1,0,0|2,0,0]=4 287 B10R1.59 CC(C)[C@@H]1NC(=O)C[C@H]1O W16067 [0,1,0,1,0,0|1,0,0]=3 288 B10R1.59 CN1C[C@@H](O)C[C@H]1C(=O)O FD21788 [0,1,0,1,0,0|2,0,0]=4 289 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O C16643 [0,1,0,1,0,0|2,0,0]=4 290 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 P15810 [0,1,0,1,0,0|1,0,0]=3 291 B10R1.55 CC(C)(C)[C@@H]1CNC(=O)C1 94581 [0,1,0,1,0,0|2,0,0]=4 292 B10R1.55 CC(C)(C)[C@@H]1COC(=O)N1 AT13635 [0,1,0,1,0,0|2,0,0]=4 293 B10R2.14 O=C1CC[C@H](C2CC2)C1 33465 [0,0,0,2,0,0|1,0,0]=3 294 B10R2.178 O=C1CCC2CCC1C2 AT22812 [0,0,0,2,0,0|1,0,0]=3 295 B10R2.348 O=C(O)C12CC(CN1)C2 P10600 [0,0,0,2,0,0|1,0,0]=3 296 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 P10629 [0,0,0,2,0,0|1,0,0]=3 297 B10R2.534 O=C1CNCC2(CC2)N1 82061 [0,0,0,2,0,0|2,0,0]=4 298 B10R0.97 CC(=O)NCSCCC(=O)O F19967 [0,0,0,0,0,2|1,0,1]=4