0 B6R0.2 CC(=O)CC(=O)[O-] T70807 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.2 CC(Br)CC(C)Br T70499 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CC(C)CC(N)=O C75541 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.2 CC(C)NC(N)=O 44261 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.2 C[C@H](N)CN(C)C 76720 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.2 C[C@H](O)CC(=O)O C10552 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.2 C[C@H](O)CN(C)C A11394 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.2 NC(=O)CC(=O)O F20599 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 C=C(C)CON F31248 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 C=CC[C@H](C)O 71459 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.1 C=CC[C@H](C)O A12634 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.1 CCC[C@H](C)N P14575 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 CCC[C@H](C)N Y10887 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.1 CCOC(N)=S A11227 [1,0,0,0,0,0|2,1,0]=4 18 B5R0.1 CN(C)CC=O D88083 [1,0,0,0,0,0|1,0,0]=2 19 B5R0.1 CN(C)CCO D93012 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.1 CNCC(=O)[O-] F20742 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CNCC(F)F D86102 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 CNC[C@H](C)O AC1157 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 CNC[C@H](C)O N12528 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 COC[C@H](C)Br 78860 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 COC[C@H](C)N 25526 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 COC[C@H](C)N D95458 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 COC[C@H](C)N W17998 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 C[C@H](N)CC#N 12486 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 C[C@H](O)CC#N 87623 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 C[C@H](O)CCN 83616 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.1 C[C@H](O)CON O10313 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 C[S+](C)CCCl 77752 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 C\C(I)=C/CI AC8880 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 C\C(I)=C\CI AC3855 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 N#CCC(=O)[O-] D70707 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.2 C=C[C@@H](O)CC(C)C A12558 [0,1,0,0,0,0|0,0,3]=4 37 B7R0.2 CC(C)CN(C)N=O D93466 [0,1,0,0,0,0|1,0,0]=2 38 B7R0.2 CC(C)NC(=O)CBr A12824 [0,1,0,0,0,0|1,0,0]=2 39 B7R0.2 CC(C)NC(=O)CI A11046 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.2 CC(C)OC(=O)CN FD21588 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.2 CC(C)OC(=O)NN A11099 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,1,0,0,0,0|0,0,0]=1 44 B7R0.2 CC[C@H](N)CC(=O)O 51922 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.2 CC[C@H](N)CC(=O)O 52000 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.2 CC[C@H](O)CC(=O)O C14017 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.2 CN(C)C[C@H](O)CO D95190 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.2 COC(=O)CC(=N)N AC2408 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.2 COC(=O)C[C@H](C)N FD10418 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.2 COC(=O)C[C@H](C)N S11691 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.2 COC(C)CC(C)O 78061 [0,1,0,0,0,0|0,0,2]=3 52 B7R0.2 CO\C(C)=C/C(C)=O D93418 [0,1,0,0,0,0|0,0,2]=3 53 B7R0.2 N[C@H](CO)CC(=O)O D95019 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.2 N[C@H](CO)CC(=O)O F14029 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.9 CC(C)(C)CB(O)O C10943 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.9 CC(C)OC(C)(C)C A10887 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.9 C[N+](C)(C)CC(=O)O D85123 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.16 CC(=O)C(N)C(C)=O F17513 [0,1,0,0,0,0|1,0,1]=3 59 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [0,1,0,0,0,0|1,0,0]=2 60 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [0,1,0,0,0,0|1,0,0]=2 61 B7R0.16 CC(C)[C@H](N)C(N)=O AC1523 [0,1,0,0,0,0|1,0,0]=2 62 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T70290 [0,1,0,0,0,0|2,0,0]=3 65 B7R1.2 C=C1CCC(=O)O1 T71516 [0,0,0,1,0,0|1,0,2]=4 66 B7R1.2 CC1=CC(=O)CO1 Y10351 [0,0,0,1,0,0|1,0,2]=4 67 B7R1.2 CC1=NN=C(C)C1 N10051 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.2 CN1CCC(=O)C1 64220 [0,0,0,1,0,0|1,0,0]=2 69 B7R1.2 CN1CC[C@H](Br)C1 C14104 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.2 CN1CC[C@H](N)C1 51282 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.2 CN1CC[C@H](N)C1 51289 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.2 CN1CC[C@H](N)C1 FD9067 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,0,0,1,0,0|1,0,0]=2 74 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [0,0,0,1,0,0|1,0,2]=4 75 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [0,0,0,1,0,0|1,0,2]=4 76 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,0,0,1,0,0|1,0,0]=2 77 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,0,0,1,0,0|1,0,0]=2 78 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,0,0,1,0,0|2,0,0]=3 81 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.2 C[C@H]1COC(=O)O1 D77722 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.2 NC1=CC(=O)CC1 90005 [0,0,0,1,0,0|1,0,2]=4 85 B7R1.2 NC1CCC(N)C1 D79385 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.2 NC1CCC(O)C1 21055 [0,0,0,1,0,0|1,0,2]=4 87 B7R1.2 NC1CCC(O)C1 26425 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.2 N[C@@H]1CC[C@H](F)C1 P18588 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.2 N[C@@H]1CC[C@H](F)C1 P20484 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [0,0,0,1,0,0|1,0,2]=4 91 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [0,0,0,1,0,0|1,0,2]=4 92 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [0,0,0,1,0,0|1,0,2]=4 93 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [0,0,0,1,0,0|1,0,2]=4 94 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [0,0,0,1,0,0|1,0,2]=4 95 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [0,0,0,1,0,0|1,0,2]=4 96 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.2 N[C@H]1CC[C@H](N)C1 F53332 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [0,0,0,1,0,0|1,0,2]=4 102 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [0,0,0,1,0,0|1,0,2]=4 103 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [0,0,0,1,0,0|1,0,2]=4 104 B7R1.2 O=C1C=C(Br)CC1 W19329 [0,0,0,1,0,0|1,0,2]=4 105 B7R1.2 O=C1C=C(I)CC1 A12694 [0,0,0,1,0,0|1,0,2]=4 106 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,0,0,1,0,0|1,0,0]=2 107 B7R1.2 O=C1CNC(=O)C1 76756 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [0,0,0,1,0,0|1,0,2]=4 110 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [0,0,0,1,0,0|1,0,0]=2 111 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [0,0,0,1,0,0|1,0,0]=2 112 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3201 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P15680 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.16 CC1(C)CC(=O)C1 P13045 [0,0,0,1,0,0|0,0,0]=1 115 B7R1.16 CC1(C)CC(=O)N1 D72853 [0,0,0,1,0,0|1,0,0]=2 116 B7R1.16 CC1(C)CC(N)C1 P15356 [0,0,0,1,0,0|1,0,1]=3 117 B7R1.16 CC1(C)CC(O)C1 P16551 [0,0,0,1,0,0|0,0,2]=3 118 B7R1.16 CC1(N)CC(=O)C1 P17533 [0,0,0,1,0,0|1,0,0]=2 119 B7R1.16 CC1(N)CC(F)C1 P18908 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.16 CC1(N)CC(O)C1 38885 [0,0,0,1,0,0|1,0,2]=4 121 B7R1.16 C[C@]1(N)C[C@@H](O)C1 P13531 [0,0,0,1,0,0|1,0,2]=4 122 B7R1.16 C[C@]1(N)C[C@H](O)C1 38886 [0,0,0,1,0,0|1,0,2]=4 123 B7R1.16 C[C@]1(O)C[C@@H](N)C1 38620 [0,0,0,1,0,0|1,0,2]=4 124 B7R1.16 NC1CS(=O)(=O)C1 72849 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.16 NC1CS(=O)(=O)C1 P12401 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.16 O=C1CC(F)(F)C1 38849 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.16 O=S1(=O)CC(Br)C1 AT23423 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.16 O=S1(=O)CC(Br)C1 FD15009 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.20 C[C@H](O)CC1CC1 79072 [0,0,0,1,0,0|0,0,2]=3 130 B7R1.20 O=C(Cl)CC1CC1 P19146 [0,0,0,1,0,0|1,0,0]=2 131 B7R1.20 O=C(O)C[C@H]1CO1 P18471 [0,0,0,1,0,0|2,0,0]=3 132 B5R0.5 CC(=O)C(N)=S 93979 [0,0,0,0,1,0|2,0,1]=4 133 B5R0.5 CC(=O)[C@H](C)N D76571 [0,0,0,0,1,0|1,0,0]=2 134 B5R0.5 CC(=S)N(C)C 76921 [0,0,0,0,1,0|1,1,0]=3 135 B5R0.5 CN(C)C(=N)N 71417 [0,0,0,0,1,0|3,0,0]=4 136 B5R0.5 C[C@H](N)C(N)=O 25148 [0,0,0,0,1,0|2,0,0]=3 137 B5R0.5 C[C@H](O)C(=N)N 71516 [0,0,0,0,1,0|3,0,0]=4 138 B5R0.5 C[C@H](O)[C@H](C)O C91323 [0,0,0,0,1,0|1,0,2]=4 139 B7R0.6 CC(=O)NNC(C)C F19849 [0,0,0,0,0,1|1,0,0]=2 140 B7R0.6 CC(=O)ON=C(C)C F19954 [0,0,0,0,0,1|1,0,1]=3 141 B7R0.6 CC(C)=CCC(=O)O 24307 [0,0,0,0,0,1|1,0,1]=3 142 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [0,0,0,0,0,1|2,0,0]=3 143 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [0,0,0,0,0,1|2,0,0]=3 144 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [0,0,0,0,0,1|2,0,0]=3 145 B7R0.6 C[C@H](O)CC[C@H](C)O F17009 [0,0,0,0,0,1|1,0,2]=4 146 B7R0.6 C[S+](C)CCC(=O)O T70554 [0,0,0,0,0,1|2,0,0]=3 147 B4R0.1 C=C[C@H](C)N 81150 [2,0,0,0,0,0|1,0,1]=4 148 B4R0.1 C=C[C@H](C)N C77628 [2,0,0,0,0,0|1,0,1]=4 149 B4R0.1 C=C[C@H](C)N N11410 [2,0,0,0,0,0|1,0,1]=4 150 B4R0.1 CC(C)CBr P19652 [2,0,0,0,0,0|1,0,0]=3 151 B4R0.1 CC[C@H](C)N 74047 [2,0,0,0,0,0|1,0,0]=3 152 B4R0.1 C[C@H](Br)CN F11189 [2,0,0,0,0,0|2,0,0]=4 153 B4R0.1 C[C@H](Br)CO W17591 [2,0,0,0,0,0|1,0,1]=4 154 B4R0.1 C[C@H](Cl)CN Y14715 [2,0,0,0,0,0|2,0,0]=4 155 B4R0.1 C[C@H](N)CF AC1136 [2,0,0,0,0,0|2,0,0]=4 156 B4R0.1 C[C@H](N)CF AC6177 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.1 C\C=C(\C)Br D93160 [2,0,0,0,0,0|1,0,1]=4 158 B4R0.1 NCC(=O)O A10882 [2,0,0,0,0,0|2,0,0]=4 159 B4R0.1 NCC(=O)O T72551 [2,0,0,0,0,0|2,0,0]=4 160 B4R0.1 O=C([O-])C[O-] 47204 [2,0,0,0,0,0|2,0,0]=4 161 B4R0.2 CCCCN T70838 [2,0,0,0,0,0|1,0,1]=4 162 B4R0.2 CCONC AT14498 [2,0,0,0,0,0|2,0,0]=4 163 B4R0.2 COCCI A50601 [2,0,0,0,0,0|2,0,0]=4 164 B4R0.2 CSCCN D73275 [2,0,0,0,0,0|2,0,0]=4 165 B6R0.1 C=CC[C@H](N)CO F16846 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.1 CCC[C@@H](Br)CC D78429 [1,1,0,0,0,0|1,0,1]=4 167 B6R0.1 CCC[C@H](N)CO C13482 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.1 CCNC(=O)CO 79517 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.1 CCO[C@@H](C)CO 91003 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.1 CNC(=O)CCN C75423 [1,1,0,0,0,0|1,0,0]=3 171 B6R0.1 CNC(=O)CCO AC6610 [1,1,0,0,0,0|1,0,0]=3 172 B6R0.1 CNC(=O)CCS A11187 [1,1,0,0,0,0|1,0,0]=3 173 B6R0.1 COC(=O)OCCl R10013 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.1 COC[C@@H](O)CN 94767 [1,1,0,0,0,0|2,0,0]=4 175 B6R0.1 NNC(=O)CCO C77491 [1,1,0,0,0,0|2,0,0]=4 176 B6R0.3 CC(C)[C@@H](C)CO D93394 [1,1,0,0,0,0|0,0,2]=4 177 B6R0.3 CCN(C)C(C)=O F19909 [1,1,0,0,0,0|1,0,0]=3 178 B6R0.3 CC[C@H](C)C(=O)O 88659 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.3 CC[C@H](N)C(N)=O I10243 [1,1,0,0,0,0|1,0,0]=3 180 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [1,1,0,0,0,0|0,0,2]=4 181 B6R0.3 C[C@@H](CN)C(=O)O F15101 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.3 C[C@@H](CN)C(=O)O F15242 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.3 NC(=O)[C@@H](N)CO D75098 [1,1,0,0,0,0|2,0,0]=4 185 B6R0.3 NC[C@H](F)C(=O)O T73016 [1,1,0,0,0,0|2,0,0]=4 186 B6R0.3 NC[C@H](O)C(=O)O O10173 [1,1,0,0,0,0|2,0,0]=4 187 B6R0.3 N[C@@H](CCl)C(=O)O FD21124 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.3 O=C(O)[C@@H](Br)CO A10085 [1,1,0,0,0,0|2,0,0]=4 189 B6R0.3 O=C(O)[C@@H](Br)CO AB19244 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.3 O=C(O)[C@@H](O)CCl 84142 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.4 C#CCNC(C)=O 78861 [1,1,0,0,0,0|0,0,2]=4 192 B6R0.4 C#CCOC(C)C 79308 [1,1,0,0,0,0|0,0,2]=4 193 B6R0.4 C=C(C)CCCBr 71968 [1,1,0,0,0,0|1,0,0]=3 194 B6R0.4 C=CCCC(=O)Cl F16765 [1,1,0,0,0,0|1,0,1]=4 195 B6R0.4 CC(=O)CCC=O P17049 [1,1,0,0,0,0|0,0,1]=3 196 B6R0.4 CC(=O)CCCBr 25631 [1,1,0,0,0,0|0,0,0]=2 197 B6R0.4 CC(=O)OCCN W11955 [1,1,0,0,0,0|1,0,0]=3 198 B6R0.4 CC(C)CCC=O 31143 [1,1,0,0,0,0|0,0,0]=2 199 B6R0.4 CC(C)OCCBr 33996 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.4 CC(C)OCCN T71353 [1,1,0,0,0,0|1,0,1]=4 201 B6R0.4 CCOCC(=O)O D73862 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.4 CCOC[C@H](C)N 75202 [1,1,0,0,0,0|1,0,1]=4 203 B6R0.4 C[C@H](Cl)CCCCl A11066 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.4 NC(=O)OCCO A11395 [1,1,0,0,0,0|2,0,0]=4 205 B6R0.4 NCCCC(N)=O C72206 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.4 O=C([O-])CNCO F20522 [1,1,0,0,0,0|2,0,0]=4 207 B6R0.5 C#CCC(C)(C)O 77946 [1,1,0,0,0,0|0,0,2]=4 208 B6R0.5 C=CCC(C)(C)C T71314 [1,1,0,0,0,0|0,0,1]=3 209 B6R0.5 C=CC[N+](C)(C)C AC2497 [1,1,0,0,0,0|1,0,1]=4 210 B6R0.5 CC(C)(C)CCI D86336 [1,1,0,0,0,0|1,0,1]=4 211 B6R0.5 CC(C)(F)CCN W17442 [1,1,0,0,0,0|1,0,1]=4 212 B6R0.5 CC(C)(O)CCN A51232 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.5 CC(C)(O)CON AC7988 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.5 CCCP(=O)(O)O C15829 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.5 CNCC(C)(C)F 85781 [1,1,0,0,0,0|1,0,0]=3 216 B6R0.5 CS(=O)(=O)CCBr AC1299 [1,1,0,0,0,0|2,0,0]=4 217 B6R0.7 CC(=O)C(C)(C)N 71804 [0,1,0,0,1,0|0,0,0]=2 218 B6R0.7 CC(C)(C)C(=O)[O-] C71251 [0,1,0,0,1,0|1,0,0]=3 219 B6R0.7 CC(C)(Cl)C(=O)Cl S11011 [0,1,0,0,1,0|1,0,0]=3 220 B6R0.7 CC(C)(S)C(=O)O F17054 [0,1,0,0,1,0|1,0,0]=3 221 B6R0.7 CC(C)C(C)(C)Cl H10395 [0,1,0,0,1,0|1,0,1]=4 222 B6R0.7 C[C@H](N)C(C)(C)C F16897 [0,1,0,0,1,0|1,0,1]=4 223 B6R0.7 C[C@H](N)C(C)(C)C N11972 [0,1,0,0,1,0|1,0,1]=4 224 B6R0.7 C[C@H](N)C(C)(C)O 86272 [0,1,0,0,1,0|1,0,1]=4 225 B6R0.7 C[C@H](O)C(C)(C)C D93306 [0,1,0,0,1,0|0,0,2]=4 226 B6R0.7 C[C@H](O)C(C)(C)O D80869 [0,1,0,0,1,0|0,0,2]=4 227 B8R0.9 CC(C)CC\C(N)=N/O W10718 [0,1,0,0,0,1|1,0,1]=4 228 B8R0.9 CC(C)NC[C@H](O)CO C16156 [0,1,0,0,0,1|0,0,2]=4 229 B8R0.9 CCC(C)=CCC(=O)O C75612 [0,1,0,0,0,1|1,0,1]=4 230 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [0,1,0,0,0,1|1,0,0]=3 231 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [0,1,0,0,0,1|2,0,0]=4 232 B8R0.9 CN(C)CCC(=O)NN AC8035 [0,1,0,0,0,1|2,0,0]=4 233 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [0,1,0,0,0,1|2,0,0]=4 234 B8R0.23 C=C(CC(C)C)C(C)=O H11904 [0,1,0,0,0,1|0,0,0]=2 235 B8R0.23 CC(=O)C(=O)OC(C)C C11673 [0,1,0,0,0,1|0,0,1]=3 236 B8R0.23 CC(=O)O[C@@H](C)C(C)=O H10680 [0,1,0,0,0,1|1,0,1]=4 237 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O 41453 [0,1,0,0,0,1|1,0,0]=3 238 B8R0.23 CC(C)N(C)CC(=O)O 71944 [0,1,0,0,0,1|1,0,0]=3 239 B8R0.23 CC(C)[C@@H](N)CC(=O)O 29560 [0,1,0,0,0,1|1,0,0]=3 240 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62353 [0,1,0,0,0,1|1,0,0]=3 241 B8R0.23 CN(C)C[C@H](N)C(=O)O F19964 [0,1,0,0,0,1|2,0,0]=4 242 B8R0.29 CC(=O)ONC(C)(C)C 77604 [0,1,0,0,0,1|1,0,0]=3 243 B8R0.29 CC(C)(N)CNC(N)=O 46044 [0,1,0,0,0,1|1,0,0]=3 244 B8R0.29 CC(C)(S)CCC(=O)O P19032 [0,1,0,0,0,1|1,0,0]=3 245 B8R0.29 CC(C)=CCC(C)(C)C D93076 [0,1,0,0,0,1|1,0,0]=3 246 B8R0.29 CC(C)COC(C)(C)C A10962 [0,1,0,0,0,1|1,0,1]=4 247 B8R0.29 CC(C)COS(C)(=O)=O A12119 [0,1,0,0,0,1|1,0,0]=3 248 B8R0.29 CC(C)NCC(C)(C)N C11974 [0,1,0,0,0,1|1,0,1]=4 249 B8R0.29 CN(C)CCC(C)(C)N C90168 [0,1,0,0,0,1|2,0,0]=4 250 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O FD21836 [0,2,0,0,0,0|1,0,0]=3 251 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O C90303 [0,2,0,0,0,0|1,0,0]=3 252 B8R0.2 COC(=O)C(=O)C(C)C 30685 [0,2,0,0,0,0|0,0,1]=3 253 B8R0.2 COC(=O)[C@@H](N)C(C)=O C75090 [0,2,0,0,0,0|1,0,1]=4 254 B8R0.2 COC(=O)[C@@H](O)C(C)C N12468 [0,2,0,0,0,0|0,0,0]=2 255 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A11792 [0,2,0,0,0,0|1,0,0]=3 256 B8R0.5 C=CC[C@H](N)CC(=O)O F15070 [0,2,0,0,0,0|2,0,0]=4 257 B8R0.5 CC(C)OC(=O)\C=C/I F19580 [0,2,0,0,0,0|1,0,1]=4 258 B8R0.5 CCCC(=O)CC(C)=O 79568 [0,2,0,0,0,0|1,0,1]=4 259 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [0,2,0,0,0,0|0,0,0]=2 260 B8R0.5 CCC[C@H](C)CC(C)C F17729 [0,2,0,0,0,0|1,0,1]=4 261 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [0,2,0,0,0,0|2,0,0]=4 262 B8R0.5 CCOC(=O)C[C@H](C)N H10190 [0,2,0,0,0,0|1,0,0]=3 263 B8R0.5 COCC(=O)OC(C)C C11794 [0,2,0,0,0,0|1,0,0]=3 264 B8R0.16 CN(C)CC(CN)CN P18077 [0,2,0,0,0,0|2,0,0]=4 265 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,2,0,0,0,0|1,0,0]=3 266 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,2,0,0,0,0|1,0,0]=3 267 B8R0.19 COC(=O)C[C@H](O)CCl A11858 [0,2,0,0,0,0|1,0,0]=3 268 B8R0.19 COC(=O)N[C@@H](C)CN D95526 [0,2,0,0,0,0|1,0,0]=3 269 B8R0.24 CC[C@H](C)OS(C)(=O)=O 38073 [0,2,0,0,0,0|2,0,0]=4 270 B8R0.24 CNC(=O)CS(C)(=O)=O 31518 [0,2,0,0,0,0|2,0,0]=4 271 B8R0.24 COC(=O)CC(C)(C)Br A11663 [0,2,0,0,0,0|0,0,0]=2 272 B8R0.24 COC(=O)CC(C)(C)O C75882 [0,2,0,0,0,0|0,0,0]=2 273 B8R0.24 COC(=O)CC(F)(F)F T71999 [0,2,0,0,0,0|2,0,0]=4 274 B8R0.24 COC(=O)NC(C)(C)C A12376 [0,2,0,0,0,0|1,0,0]=3 275 B8R0.34 C#CC(C)(C)OC(C)=O A10037 [0,2,0,0,0,0|1,0,0]=3 276 B8R0.34 CC(C)(C#N)CC(=O)O AT13969 [0,2,0,0,0,0|1,0,0]=3 277 B8R0.34 CC(C)(CN)CC(=O)O C11406 [0,2,0,0,0,0|1,0,0]=3 278 B8R0.34 CCS(=O)(=O)OC(C)C A12044 [0,2,0,0,0,0|2,0,0]=4 279 B8R0.27 CC(C)(C)[C@H](N)C(=O)O C14699 [0,2,0,0,0,0|1,0,0]=3 280 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 62402 [0,2,0,0,0,0|1,0,0]=3 281 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31225 [0,2,0,0,0,0|1,0,0]=3 282 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31227 [0,2,0,0,0,0|1,0,0]=3 283 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 56185 [0,2,0,0,0,0|1,0,0]=3 284 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 77791 [0,2,0,0,0,0|1,0,0]=3 285 B8R0.27 CC(C)(S)[C@H](N)C(=O)O I10039 [0,2,0,0,0,0|1,0,0]=3 286 B8R0.33 CC(C)(O)CC(C)(C)O T70643 [0,2,0,0,0,0|0,0,2]=4 287 B8R0.18 CC(C)[C@H](CN)C(=O)O 32008 [0,2,0,0,0,0|1,0,0]=3 288 B8R0.18 CC(C)[C@H](CN)C(=O)O 32570 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.18 CC(C)[C@H](CN)C(=O)O 32574 [0,2,0,0,0,0|1,0,0]=3 290 B8R0.18 CC(C)[C@H](CN)C(=O)O F15099 [0,2,0,0,0,0|1,0,0]=3 291 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O C15482 [0,2,0,0,0,0|2,0,0]=4 292 B8R0.37 CC(C)[C@](C)(N)C(=O)O O10056 [0,2,0,0,0,0|1,0,0]=3 293 B6R1.2 C=C1CCNC1 F13598 [1,0,0,1,0,0|2,0,0]=4 294 B6R1.2 C[C@H]1CCNC1 69327 [1,0,0,1,0,0|1,0,0]=3 295 B6R1.2 C[C@H]1CCSC1 70016 [1,0,0,1,0,0|1,0,0]=3 296 B6R1.2 Cl[C@H]1CCNC1 W15835 [1,0,0,1,0,0|2,0,0]=4 297 B6R1.2 Cl[C@H]1CCOC1 N12419 [1,0,0,1,0,0|2,0,0]=4 298 B6R1.2 F[C@H]1CCNC1 P10396 [1,0,0,1,0,0|2,0,0]=4 299 B6R1.2 F[C@H]1CCNC1 P10397 [1,0,0,1,0,0|2,0,0]=4 300 B6R1.2 I[C@H]1CCOC1 37310 [1,0,0,1,0,0|2,0,0]=4 301 B6R1.2 I[C@H]1CCOC1 37311 [1,0,0,1,0,0|2,0,0]=4 302 B6R1.2 NN1CCCC1 F13227 [1,0,0,1,0,0|2,0,0]=4 303 B6R1.2 NN1CCCC1 S12058 [1,0,0,1,0,0|2,0,0]=4 304 B6R1.2 N[C@H]1CCSC1 70834 [1,0,0,1,0,0|2,0,0]=4 305 B6R1.2 O=C1CNCN1 25530 [1,0,0,1,0,0|2,0,0]=4 306 B6R1.2 O[C@H]1CCSC1 50208 [1,0,0,1,0,0|2,0,0]=4 307 B6R1.3 BrCCC1CC1 32177 [1,0,0,1,0,0|1,0,1]=4 308 B6R1.3 C#CCC1CC1 70830 [1,0,0,1,0,0|0,0,2]=4 309 B6R1.3 CNCC1CC1 P11100 [1,0,0,1,0,0|1,0,0]=3 310 B6R1.3 ICCC1CC1 73383 [1,0,0,1,0,0|1,0,1]=4 311 B6R1.3 NNCC1CC1 P11241 [1,0,0,1,0,0|2,0,0]=4 312 B6R1.3 NOCC1CC1 59190 [1,0,0,1,0,0|2,0,0]=4 313 B6R1.3 O=CCC1CC1 P10743 [1,0,0,1,0,0|0,0,0]=2 314 B6R1.5 CC1CC(=O)C1 P12177 [1,0,0,1,0,0|0,0,0]=2 315 B6R1.5 CC1CC(N)C1 72358 [1,0,0,1,0,0|1,0,1]=4 316 B6R1.5 CN1CC(=O)C1 P15929 [1,0,0,1,0,0|1,0,0]=3 317 B6R1.5 CN1CC(Cl)C1 P18477 [1,0,0,1,0,0|2,0,0]=4 318 B6R1.5 CN1CC(N)C1 37022 [1,0,0,1,0,0|2,0,0]=4 319 B6R1.5 CN1CC(O)C1 37023 [1,0,0,1,0,0|2,0,0]=4 320 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [1,0,0,1,0,0|1,0,0]=3 321 B6R1.5 C[C@H]1C[C@@H](N)C1 P18428 [1,0,0,1,0,0|1,0,1]=4 322 B6R1.5 C[C@H]1C[C@H](N)C1 D79129 [1,0,0,1,0,0|1,0,1]=4 323 B6R1.5 O=C1CC(O)C1 P12929 [1,0,0,1,0,0|1,0,0]=3 324 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [1,0,0,1,0,0|0,0,2]=4 325 B6R1.9 CC1(C)C[C@@H]1N 69330 [1,0,0,1,0,0|1,0,1]=4 326 B6R1.10 CC1(F)CNC1 88058 [1,0,0,1,0,0|2,0,0]=4 327 B6R1.10 CC1(N)CCC1 P10590 [1,0,0,1,0,0|1,0,1]=4 328 B6R1.10 CC1(N)CCC1 P10892 [1,0,0,1,0,0|1,0,1]=4 329 B6R1.10 CC1(N)COC1 52948 [1,0,0,1,0,0|2,0,0]=4 330 B6R1.10 CC1(N)CSC1 P16047 [1,0,0,1,0,0|2,0,0]=4 331 B6R1.10 CC1(O)CCC1 83777 [1,0,0,1,0,0|0,0,2]=4 332 B6R1.10 CC1(O)CNC1 54439 [1,0,0,1,0,0|2,0,0]=4 333 B6R1.10 CC1(O)CSC1 P15377 [1,0,0,1,0,0|2,0,0]=4 334 B6R1.11 C[C@H](N)C1CC1 N10509 [1,0,0,1,0,0|1,0,1]=4 335 B6R1.11 C[C@H](N)C1CC1 W12229 [1,0,0,1,0,0|1,0,1]=4 336 B6R1.11 C[C@H](O)C1CC1 C77522 [1,0,0,1,0,0|0,0,2]=4 337 B6R1.11 C[C@H](O)C1CC1 C77523 [1,0,0,1,0,0|0,0,2]=4 338 B6R1.11 O=C([O-])[C@@H]1CO1 50549 [1,0,0,1,0,0|2,0,0]=4 339 B6R1.11 O=C([O-])[C@@H]1CO1 50593 [1,0,0,1,0,0|2,0,0]=4 340 B6R1.11 O=[S@]([O-])C1CC1 29996 [1,0,0,1,0,0|2,0,0]=4 341 B6R1.4 C[C@@H]1OCC1=O P16003 [0,0,0,1,1,0|1,0,0]=3 342 B6R1.4 C[C@H]1CCC1=O W18267 [0,0,0,1,1,0|0,0,0]=2 343 B6R1.4 C[C@H]1CNC1=O P20594 [0,0,0,1,1,0|1,0,0]=3 344 B6R1.4 O=C1CC[C@@H]1Br P18435 [0,0,0,1,1,0|1,0,0]=3 345 B8R1.3 CC1CCC(O)CC1 D73186 [0,0,0,1,0,1|0,0,2]=4 346 B8R1.3 CN1CC=C(Br)CC1 CS3354 [0,0,0,1,0,1|2,0,0]=4 347 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,0,0,1,0,1|0,0,1]=3 348 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,0,0,1,0,1|0,0,0]=2 349 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,0,0,1,0,1|0,0,2]=4 350 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,0,0,1,0,1|1,0,0]=3 351 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,0,0,1,0,1|1,0,0]=3 352 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,0,0,1,0,1|1,0,0]=3 353 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,0,0,1,0,1|1,0,0]=3 354 B8R1.3 C[C@H]1CN[C@@H](C)CN1 38272 [0,0,0,1,0,1|1,0,1]=4 355 B8R1.3 C[C@H]1CN[C@@H](C)CN1 W12505 [0,0,0,1,0,1|1,0,1]=4 356 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [0,0,0,1,0,1|0,0,2]=4 357 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,0,0,1,0,1|1,0,0]=3 358 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,0,0,1,0,1|1,0,0]=3 359 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,0,0,1,0,1|1,0,0]=3 360 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,0,0,1,0,1|1,0,1]=4 361 B8R1.3 O=C1CCC(F)CC1 23163 [0,0,0,1,0,1|1,0,0]=3 362 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,0,0,1,0,1|1,0,0]=3 363 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,0,0,1,0,1|1,0,0]=3 364 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,0,0,1,0,1|1,0,0]=3 365 B8R1.3 O=C1NCC(O)CN1 D82915 [0,0,0,1,0,1|2,0,0]=4 366 B8R1.23 CC(=O)N1CC(=O)C1 D96529 [0,0,0,1,0,1|1,0,1]=4 367 B8R1.23 CC(C)N1CC(N)C1 37842 [0,0,0,1,0,1|1,0,1]=4 368 B8R1.23 CC(C)N1CC(O)C1 37460 [0,0,0,1,0,1|0,0,2]=4 369 B8R1.23 CC(C)[C@@H]1CC(=O)N1 P18338 [0,0,0,1,0,1|0,0,0]=2 370 B8R1.23 NC1CC(C(=O)O)C1 38020 [0,0,0,1,0,1|2,0,0]=4 371 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [0,0,0,1,0,1|2,0,0]=4 372 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [0,0,0,1,0,1|2,0,0]=4 373 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [0,0,0,1,0,1|2,0,0]=4 374 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [0,0,0,1,0,1|2,0,0]=4 375 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [0,0,0,1,0,1|2,0,0]=4 376 B8R1.23 O=C(O)C1CC(F)C1 37218 [0,0,0,1,0,1|2,0,0]=4 377 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [0,0,0,1,0,1|2,0,0]=4 378 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [0,0,0,1,0,1|2,0,0]=4 379 B8R1.23 O=C1CC(C(F)F)C1 W13841 [0,0,0,1,0,1|2,0,0]=4 380 B8R1.35 CC(C)CNC1CC1 AC2517 [0,0,0,1,0,1|1,0,1]=4 381 B8R1.35 O=C(O)CNC1CC1 F14996 [0,0,0,1,0,1|1,0,0]=3 382 B8R1.35 O=C(O)CNC1CC1 W15242 [0,0,0,1,0,1|1,0,0]=3 383 B8R1.51 CC1(C)C=CC(=O)C1 S10959 [0,0,0,1,0,1|0,0,1]=3 384 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,0,0,1,0,1|0,0,0]=2 385 B8R1.51 CC1(C)CCC(=O)N1 30720 [0,0,0,1,0,1|1,0,0]=3 386 B8R1.51 CC1(C)CCC(=O)O1 48435 [0,0,0,1,0,1|1,0,0]=3 387 B8R1.51 CC1(C)CC[C@H](N)C1 P16857 [0,0,0,1,0,1|1,0,1]=4 388 B8R1.51 CC1(C)CN=C(N)C1 D79278 [0,0,0,1,0,1|1,0,0]=3 389 B8R1.51 CC1(C)CNC(=O)O1 90053 [0,0,0,1,0,1|1,0,0]=3 390 B8R1.51 CC1(C)COC(=O)C1 82056 [0,0,0,1,0,1|0,0,0]=2 391 B8R1.51 CC1(C)COC(=O)N1 38028 [0,0,0,1,0,1|1,0,0]=3 392 B8R1.51 CC1(C)COC(=S)N1 24281 [0,0,0,1,0,1|1,1,0]=4 393 B8R1.51 C[C@@]1(O)CNC(=O)C1 F18103 [0,0,0,1,0,1|1,0,0]=3 394 B8R1.1 C=C[C@@H]1CCC(=O)N1 N10616 [0,1,0,1,0,0|1,0,1]=4 395 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [0,1,0,1,0,0|1,0,1]=4 396 B8R1.1 CN1CC[C@H](CN)C1 P13795 [0,1,0,1,0,0|2,0,0]=4 397 B8R1.1 CN1CC[C@H](CN)C1 P13796 [0,1,0,1,0,0|2,0,0]=4 398 B8R1.1 CN1CC[C@H](CO)C1 22985 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.1 CN1CC[C@H](CO)C1 37309 [0,1,0,1,0,0|2,0,0]=4 400 B8R1.1 CN[C@H]1CCN(C)C1 P12573 [0,1,0,1,0,0|2,0,0]=4 401 B8R1.1 COC1=CC(=O)CC1 63697 [0,1,0,1,0,0|0,0,2]=4 402 B8R1.1 COC1CCC(N)C1 33463 [0,1,0,1,0,0|1,0,1]=4 403 B8R1.1 COC1CCC(O)C1 P19125 [0,1,0,1,0,0|0,0,2]=4 404 B8R1.1 CO[C@H]1CC[C@@H](N)C1 P19923 [0,1,0,1,0,0|1,0,1]=4 405 B8R1.1 CO[C@H]1CC[C@H](N)C1 P17830 [0,1,0,1,0,0|1,0,1]=4 406 B8R1.1 N#C[C@@H]1CNC(=O)C1 P17251 [0,1,0,1,0,0|1,0,1]=4 407 B8R1.1 N#C[C@H]1CCC(=O)C1 D96674 [0,1,0,1,0,0|0,0,1]=3 408 B8R1.1 NCC1CCC(F)C1 72980 [0,1,0,1,0,0|1,0,1]=4 409 B8R1.1 NCC1CCC(O)C1 72949 [0,1,0,1,0,0|0,0,2]=4 410 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [0,1,0,1,0,0|1,0,0]=3 411 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [0,1,0,1,0,0|1,0,0]=3 412 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [0,1,0,1,0,0|1,0,0]=3 413 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [0,1,0,1,0,0|1,0,0]=3 415 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [0,1,0,1,0,0|1,0,0]=3 416 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [0,1,0,1,0,0|1,0,0]=3 417 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [0,1,0,1,0,0|1,0,0]=3 418 B8R1.1 NC[C@H]1CC[C@H](F)C1 72985 [0,1,0,1,0,0|1,0,1]=4 419 B8R1.1 NC[C@H]1CNC(=O)O1 P14233 [0,1,0,1,0,0|2,0,0]=4 420 B8R1.1 NC[C@H]1CNC(=O)O1 P14473 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.1 NC[C@H]1CNC(=O)O1 P14857 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,1,0,1,0,0|1,0,0]=3 423 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,1,0,1,0,0|0,0,0]=2 424 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,1,0,1,0,0|1,0,0]=3 425 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [0,1,0,1,0,0|1,0,0]=3 426 B8R1.1 O=C1NC[C@H](CO)O1 70228 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.1 O=C1N[C@@H](CI)CO1 C72732 [0,1,0,1,0,0|2,0,0]=4 428 B8R1.1 O=C1N[C@@H](CO)CO1 AC1845 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.1 O=C1N[C@@H](CO)CO1 F50277 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.1 O=C1N[C@@H](CO)CO1 F50345 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,1,0,1,0,0|0,0,2]=4 432 B8R1.4 CC1CC(N)CCO1 D78849 [0,1,0,1,0,0|1,0,1]=4 433 B8R1.4 CC1CC(N)CCO1 P16002 [0,1,0,1,0,0|1,0,1]=4 434 B8R1.4 CC1CC(O)CCN1 33466 [0,1,0,1,0,0|0,0,2]=4 435 B8R1.4 CC1CC(O)CCN1 P17258 [0,1,0,1,0,0|0,0,2]=4 436 B8R1.4 CC1CNCC(O)C1 AC5056 [0,1,0,1,0,0|0,0,2]=4 437 B8R1.4 CN1CCCC(=O)C1 S10664 [0,1,0,1,0,0|1,0,0]=3 438 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [0,1,0,1,0,0|1,0,1]=4 439 B8R1.4 C[C@@H]1CNC[C@H](C)C1 F12546 [0,1,0,1,0,0|1,0,1]=4 440 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,1,0,1,0,0|0,0,0]=2 441 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,1,0,1,0,0|0,0,0]=2 442 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,1,0,1,0,0|0,0,0]=2 443 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,1,0,1,0,0|0,0,0]=2 444 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,1,0,1,0,0|0,0,0]=2 445 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,1,0,1,0,0|1,0,0]=3 446 B8R1.4 C[C@H]1CN(C)CCN1 32818 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.4 C[C@H]1CN(C)CCN1 F12507 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.4 C[C@H]1CN(C)CCN1 F12510 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.4 C[C@H]1CN(C)CCN1 P15101 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.4 C[C@H]1CN(C)CCN1 P18658 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,1,0,1,0,0|1,0,0]=3 452 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,1,0,1,0,0|1,0,0]=3 454 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,1,0,1,0,0|1,0,0]=3 455 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,1,0,1,0,0|1,0,0]=3 456 B8R1.4 O=C1CNCC(=O)C1 91786 [0,1,0,1,0,0|1,0,1]=4 457 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,1,0,1,0,0|1,0,0]=3 458 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,1,0,1,0,0|1,0,0]=3 459 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,1,0,1,0,0|0,0,1]=3 460 B8R1.18 CN1C[C@@H](N)CC1=O P10878 [0,1,0,1,0,0|1,0,0]=3 461 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [0,1,0,1,0,0|1,0,0]=3 462 B8R1.31 CC1NCC1C(=O)O P14366 [0,1,0,1,0,0|1,0,0]=3 463 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [0,1,0,1,0,0|2,0,0]=4 464 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [0,1,0,1,0,0|2,0,0]=4 466 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [0,1,0,1,0,0|1,0,0]=3 467 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.34 CC(=O)CC1CCC1 D79207 [0,1,0,1,0,0|0,0,0]=2 469 B8R1.34 CC(=O)CC1COC1 CS1731 [0,1,0,1,0,0|0,0,0]=2 470 B8R1.34 CC(=O)OC1CNC1 C72427 [0,1,0,1,0,0|1,0,0]=3 471 B8R1.34 CC(=O)OC1CNC1 C76369 [0,1,0,1,0,0|1,0,0]=3 472 B8R1.34 CN(C)CC1CNC1 P10721 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.34 N=C(N)CC1CCC1 33747 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.34 O=C(O)CC1CNC1 37024 [0,1,0,1,0,0|1,0,0]=3 475 B8R1.34 O=C(O)CC1COC1 66388 [0,1,0,1,0,0|1,0,0]=3 476 B8R1.34 O=C(O)CN1CCC1 55159 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.34 O=C([O-])CC1COC1 P19943 [0,1,0,1,0,0|1,0,0]=3 478 B8R1.40 COC(=O)CC1CC1 28012 [0,1,0,1,0,0|0,0,0]=2 479 B8R1.42 CC(C)CC1(N)CC1 F14584 [0,1,0,1,0,0|1,0,1]=4 480 B8R1.43 N#CC1CC1C(=O)O P14648 [0,1,0,1,0,0|1,0,1]=4 481 B8R1.43 N#C[C@H]1C[C@@H]1C(=O)O P14731 [0,1,0,1,0,0|1,0,1]=4 482 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O P14732 [0,1,0,1,0,0|1,0,1]=4 483 B8R1.43 O=C(O)C1CC1CCl D85971 [0,1,0,1,0,0|1,0,0]=3 484 B8R1.43 O=C(O)[C@H]1C[C@@H]1CCl P19534 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.53 CC1(C)CC(C=O)C1 93337 [0,1,0,1,0,0|0,0,1]=3 486 B8R1.53 CC1(C)CC(CBr)C1 P12135 [0,1,0,1,0,0|1,0,1]=4 487 B8R1.53 CC1(C)CC(CO)C1 P12134 [0,1,0,1,0,0|0,0,2]=4 488 B8R1.53 O=S1(=O)CC(CO)C1 AT13053 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.62 CC1(C#N)CC(=O)C1 P15927 [0,1,0,1,0,0|0,0,1]=3 490 B8R1.62 CC1(CO)CC(=O)C1 39121 [0,1,0,1,0,0|0,0,0]=2 491 B8R1.56 NS(=O)(=O)CC1CC1 I11291 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.54 N[C@H](C(=O)O)C1CC1 59339 [0,1,0,1,0,0|1,0,0]=3 493 B8R2.18 O=C1CC2CC2C1 W10830 [0,0,0,2,0,0|0,0,0]=2 494 B8R2.34 C1CC2CC1CN2 D73537 [0,0,0,2,0,0|1,0,1]=4 495 B8R2.34 C1CC2CC1CN2 P10332 [0,0,0,2,0,0|1,0,1]=4 496 B8R2.34 C1CC2CCC1C2 F16610 [0,0,0,2,0,0|1,0,1]=4 497 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,2,0,0|0,0,0]=2 498 B8R2.38 O=C1CCC2OC12 60057 [0,0,0,2,0,0|1,0,0]=3 499 B8R2.53 O=C1CC2(CC2)C1 N13186 [0,0,0,2,0,0|0,0,0]=2 500 B8R0.28 CC(=O)NCCC(C)C S10520 [0,0,0,0,0,2|0,0,0]=2 501 B8R0.28 CC(C)=CCCC(=O)O F16793 [0,0,0,0,0,2|1,0,1]=4 502 B8R0.28 CC(C)CNCC(=O)O W10796 [0,0,0,0,0,2|1,0,0]=3 503 B8R0.28 CC(C)OCOC(C)C D93413 [0,0,0,0,0,2|1,0,1]=4