0 B5R0.1 C=C(C)CON F31248 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=CC[C@H](C)O 71459 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 C=CC[C@H](C)O A12634 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 CCC[C@H](C)N P14575 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CCC[C@H](C)N Y10887 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CN(C)CC=O D88083 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.1 CN(C)CCO D93012 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CNCC(F)F D86102 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.1 CNC[C@H](C)O AC1157 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.1 CNC[C@H](C)O N12528 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.1 COC[C@H](C)Br 78860 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.1 COC[C@H](C)N 25526 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 COC[C@H](C)N D95458 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 COC[C@H](C)N W17998 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.1 C[C@H](N)CC#N 12486 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 C[C@H](O)CC#N 87623 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.1 C[C@H](O)CCN 83616 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.1 C[C@H](O)CON O10313 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 C[S+](C)CCCl 77752 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.1 NCCC(F)F D77085 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.1 OCCC(F)F P18054 [0,0,0,0,0,0|2,0,2]=4 21 B4R0.1 C#C[C@H](C)N AB1311 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.1 C#C[C@H](C)N F31055 [1,0,0,0,0,0|1,0,2]=4 23 B4R0.1 C=C[C@H](C)N 81150 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 C=C[C@H](C)N C77628 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 C=C[C@H](C)N N11410 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 CC(C)CBr P19652 [1,0,0,0,0,0|1,0,0]=2 27 B4R0.1 CC[C@H](C)N 74047 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 C[C@H](Br)CN F11189 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 C[C@H](Br)CO W17591 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 C[C@H](Cl)CN Y14715 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 C[C@H](N)C#N I11084 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 C[C@H](N)CF AC1136 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 C[C@H](N)CF AC6177 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 C\C=C(\C)Br D93160 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 NCC(F)F C16390 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.2 BrCCCBr D77913 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.2 C#CCCCl C77663 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 C#CCCI AC1965 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 C#CCCN 31177 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.2 C#CCCN 68194 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 C=CCNN D79874 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.2 C=C\C=C/C T71862 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.2 CCCCN T70838 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.2 CCONC AT14498 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.2 COCCI A50601 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.2 CSCCN D73275 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.2 NCCCF 61303 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.2 NCCCN T70045 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.2 NCCCS A11074 [1,0,0,0,0,0|1,1,1]=4 50 B4R0.2 N\C=C\C=O W10858 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.2 OCCCO D77845 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.2 OCCCS D78398 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.2 SCCCBr 77989 [1,0,0,0,0,0|1,1,1]=4 54 B6R0.1 C=CC[C@H](N)CO F16846 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.1 CCC[C@@H](Br)CC D78429 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.1 CCC[C@H](N)CO C13482 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.1 CCO[C@@H](C)CO 91003 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 CC[C@H](S)CCO D84734 [0,1,0,0,0,0|1,0,2]=4 59 B6R0.1 COC[C@@H](O)CN 94767 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.1 NCC[C@H](O)CO F51073 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.1 N[C@H](CO)CCO AB10026 [0,1,0,0,0,0|1,0,2]=4 62 B6R0.1 N[C@H](CO)CCO AB10027 [0,1,0,0,0,0|1,0,2]=4 63 B6R0.1 N[C@H](CS)CCS F52529 [0,1,0,0,0,0|1,1,1]=4 64 B6R0.2 CC(=O)CC(=O)[O-] T70807 [0,1,0,0,0,0|1,0,1]=3 65 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [0,1,0,0,0,0|1,0,2]=4 66 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [0,1,0,0,0,0|1,0,2]=4 68 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [0,1,0,0,0,0|1,0,2]=4 69 B6R0.2 CC(Br)CC(C)Br T70499 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.2 CC(C)CC(N)=O C75541 [0,1,0,0,0,0|0,0,0]=1 71 B6R0.2 CC(C)NC(N)=O 44261 [0,1,0,0,0,0|1,0,0]=2 72 B6R0.2 C[C@H](N)CN(C)C 76720 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.2 C[C@H](O)CC(=O)O C10552 [0,1,0,0,0,0|1,0,0]=2 74 B6R0.2 C[C@H](O)CN(C)C A11394 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.2 NC(=O)CC(=O)O F20599 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.3 CC(C)C(=O)CCl D94573 [0,1,0,0,0,0|1,0,2]=4 77 B6R0.3 CC(C)[C@@H](C)CO D93394 [0,1,0,0,0,0|0,0,2]=3 78 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.4 C#CCOC(C)C 79308 [0,1,0,0,0,0|1,0,1]=3 80 B6R0.4 CC(=O)CCC=O P17049 [0,1,0,0,0,0|1,0,1]=3 81 B6R0.4 CC(C)CCC=O 31143 [0,1,0,0,0,0|0,0,0]=1 82 B6R0.4 CC(C)OCCBr 33996 [0,1,0,0,0,0|1,0,1]=3 83 B6R0.4 CC(C)OCCN T71353 [0,1,0,0,0,0|1,0,1]=3 84 B6R0.4 CCOC[C@H](C)N 75202 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.4 C[C@H](Cl)CCCCl A11066 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.5 C#CCC(C)(C)O 77946 [0,1,0,0,0,0|1,0,1]=3 87 B6R0.5 C=CCC(C)(C)C T71314 [0,1,0,0,0,0|1,0,0]=2 88 B6R0.5 C=CC[N+](C)(C)C AC2497 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.5 CC(C)(C)C=NO AR2360 [0,1,0,0,0,0|1,0,2]=4 90 B6R0.5 CC(C)(C)CCI D86336 [0,1,0,0,0,0|1,0,1]=3 91 B6R0.5 CC(C)(F)CCN W17442 [0,1,0,0,0,0|1,0,1]=3 92 B6R0.5 CC(C)(O)CCN A51232 [0,1,0,0,0,0|1,0,1]=3 93 B6R0.5 CC(C)(O)CON AC7988 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.5 CNCC(C)(C)F 85781 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.5 C[Si](C)(C)CCS 74594 [0,1,0,0,0,0|0,2,1]=4 96 B6R0.5 C[Si](C)(C)\C=C\I 12266 [0,1,0,0,0,0|1,1,1]=4 97 B6R1.2 C[C@H]1CCNC1 69327 [0,0,0,1,0,0|1,0,1]=3 98 B6R1.2 C[C@H]1CCSC1 70016 [0,0,0,1,0,0|0,1,1]=3 99 B6R1.2 Cl[C@H]1CCNC1 W15835 [0,0,0,1,0,0|2,0,1]=4 100 B6R1.2 Cl[C@H]1CCOC1 N12419 [0,0,0,1,0,0|1,0,2]=4 101 B6R1.2 F[C@H]1CCNC1 P10396 [0,0,0,1,0,0|2,0,1]=4 102 B6R1.2 F[C@H]1CCNC1 P10397 [0,0,0,1,0,0|2,0,1]=4 103 B6R1.2 I[C@H]1CCOC1 37310 [0,0,0,1,0,0|1,0,2]=4 104 B6R1.2 I[C@H]1CCOC1 37311 [0,0,0,1,0,0|1,0,2]=4 105 B6R1.2 N[C@H]1CCSC1 70834 [0,0,0,1,0,0|1,1,1]=4 106 B6R1.2 O[C@H]1CCSC1 50208 [0,0,0,1,0,0|1,1,1]=4 107 B6R1.2 O[C@H]1CNOC1 31712 [0,0,0,1,0,0|2,0,1]=4 108 B6R1.3 BrC#CC1CC1 31752 [0,0,0,1,0,0|1,0,2]=4 109 B6R1.3 BrCCC1CC1 32177 [0,0,0,1,0,0|1,0,1]=3 110 B6R1.3 BrCC[C@H]1CO1 F20905 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.3 C#CCC1CC1 70830 [0,0,0,1,0,0|1,0,1]=3 112 B6R1.3 CNCC1CC1 P11100 [0,0,0,1,0,0|2,0,0]=3 113 B6R1.3 ICCC1CC1 73383 [0,0,0,1,0,0|1,0,1]=3 114 B6R1.3 NNCC1CC1 P11241 [0,0,0,1,0,0|2,0,0]=3 115 B6R1.3 NOCC1CC1 59190 [0,0,0,1,0,0|2,0,0]=3 116 B6R1.3 O=CCC1CC1 P10743 [0,0,0,1,0,0|0,0,0]=1 117 B6R1.5 CC1CC(=O)C1 P12177 [0,0,0,1,0,0|0,0,0]=1 118 B6R1.5 CC1CC(N)C1 72358 [0,0,0,1,0,0|1,0,1]=3 119 B6R1.5 CN1CC(=O)C1 P15929 [0,0,0,1,0,0|1,0,0]=2 120 B6R1.5 CN1CC(Cl)C1 P18477 [0,0,0,1,0,0|2,0,1]=4 121 B6R1.5 CN1CC(N)C1 37022 [0,0,0,1,0,0|2,0,1]=4 122 B6R1.5 CN1CC(O)C1 37023 [0,0,0,1,0,0|1,0,2]=4 123 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [0,0,0,1,0,0|1,0,0]=2 124 B6R1.5 C[C@H]1C[C@@H](N)C1 P18428 [0,0,0,1,0,0|1,0,1]=3 125 B6R1.5 C[C@H]1C[C@H](N)C1 D79129 [0,0,0,1,0,0|1,0,1]=3 126 B6R1.5 NC1CC(F)C1 80871 [0,0,0,1,0,0|2,0,1]=4 127 B6R1.5 NC1CC(N)C1 38579 [0,0,0,1,0,0|2,0,1]=4 128 B6R1.5 NN1CC(O)C1 P15912 [0,0,0,1,0,0|3,0,0]=4 129 B6R1.5 N[C@H]1C[C@@H](F)C1 P16188 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.5 N[C@H]1C[C@@H](N)C1 38580 [0,0,0,1,0,0|2,0,1]=4 131 B6R1.5 N[C@H]1C[C@H](O)C1 31135 [0,0,0,1,0,0|1,0,2]=4 132 B6R1.5 O=C1CC(O)C1 P12929 [0,0,0,1,0,0|1,0,0]=2 133 B6R1.5 OC1CC(F)C1 80872 [0,0,0,1,0,0|1,0,2]=4 134 B6R1.5 OC1CC(O)C1 P18335 [0,0,0,1,0,0|1,0,2]=4 135 B6R1.5 O[C@H]1C[C@@H](O)C1 P20298 [0,0,0,1,0,0|1,0,2]=4 136 B6R1.5 O[C@H]1C[C@H](F)C1 38850 [0,0,0,1,0,0|1,0,2]=4 137 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [0,0,0,1,0,0|0,0,2]=3 138 B6R1.8 OC[C@H]1C[C@@H]1F CS3459 [0,0,0,1,0,0|1,0,2]=4 139 B6R1.9 CC1(C)C[C@@H]1N 69330 [0,0,0,1,0,0|1,0,1]=3 140 B6R1.10 CC1(F)CNC1 88058 [0,0,0,1,0,0|3,0,0]=4 141 B6R1.10 CC1(N)CCC1 P10590 [0,0,0,1,0,0|2,0,1]=4 142 B6R1.10 CC1(N)CCC1 P10892 [0,0,0,1,0,0|2,0,1]=4 143 B6R1.10 CC1(N)COC1 52948 [0,0,0,1,0,0|3,0,0]=4 144 B6R1.10 CC1(N)CSC1 P16047 [0,0,0,1,0,0|3,0,0]=4 145 B6R1.10 CC1(O)CCC1 83777 [0,0,0,1,0,0|2,0,1]=4 146 B6R1.10 CC1(O)CNC1 54439 [0,0,0,1,0,0|3,0,0]=4 147 B6R1.10 CC1(O)CSC1 P15377 [0,0,0,1,0,0|3,0,0]=4 148 B6R1.11 C[C@H](N)C1CC1 N10509 [0,0,0,1,0,0|2,0,1]=4 149 B6R1.11 C[C@H](N)C1CC1 W12229 [0,0,0,1,0,0|2,0,1]=4 150 B6R1.11 C[C@H](O)C1CC1 C77522 [0,0,0,1,0,0|2,0,1]=4 151 B6R1.11 C[C@H](O)C1CC1 C77523 [0,0,0,1,0,0|2,0,1]=4 152 B3R0.1 CCNN D79778 [2,0,0,0,0,0|2,0,0]=4 153 B3R0.1 CCON C13232 [2,0,0,0,0,0|2,0,0]=4 154 B3R0.1 ClCCI T71139 [2,0,0,0,0,0|2,0,0]=4 155 B3R0.1 NCCN A12036 [2,0,0,0,0,0|2,0,0]=4 156 B3R0.1 NCCN T72722 [2,0,0,0,0,0|2,0,0]=4 157 B3R0.2 CC(=O)[O-] AC2626 [2,0,0,0,0,0|1,0,1]=4 158 B3R0.2 CC(=O)[O-] D70195 [2,0,0,0,0,0|1,0,1]=4 159 B3R0.2 CC(=O)[O-] I11566 [2,0,0,0,0,0|1,0,1]=4 160 B3R0.2 CC(Br)Br D78418 [2,0,0,0,0,0|2,0,0]=4 161 B3R0.2 C[13C](=O)O 41422 [2,0,0,0,0,0|1,0,1]=4 162 B3R0.2 C[S+](C)C AC2631 [2,0,0,0,0,0|1,0,0]=3 163 B3R0.2 [13CH3]C(=O)O 41421 [2,0,0,0,0,0|1,0,1]=4 164 B5R0.3 C=C[C@@H](N)CO 52208 [1,1,0,0,0,0|1,0,1]=4 165 B5R0.3 C=C[C@@H](N)CO 52209 [1,1,0,0,0,0|1,0,1]=4 166 B5R0.3 C=C[C@@H](N)CO 52211 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.3 C=C[C@@H](O)CO 56500 [1,1,0,0,0,0|1,0,1]=4 168 B5R0.3 C=C[C@H](C)ON F31247 [1,1,0,0,0,0|1,0,1]=4 169 B5R0.3 CC[C@H](C)CN 88665 [1,1,0,0,0,0|0,0,1]=3 170 B5R0.3 CN[C@@H](C)CO AC8719 [1,1,0,0,0,0|0,0,1]=3 171 B5R0.3 CN[C@@H](C)CO C77593 [1,1,0,0,0,0|0,0,1]=3 172 B5R0.3 CN[C@@H](C)CO D80042 [1,1,0,0,0,0|0,0,1]=3 173 B5R0.3 CN[C@@H](C)CO D80344 [1,1,0,0,0,0|0,0,1]=3 174 B5R0.3 CN[C@@H](C)CO D82586 [1,1,0,0,0,0|0,0,1]=3 175 B5R0.3 CO[C@@H](C)CN 91001 [1,1,0,0,0,0|1,0,0]=3 176 B5R0.3 CO[C@@H](C)CO 91002 [1,1,0,0,0,0|0,0,1]=3 177 B5R0.3 C[C@@H](CN)CCl 72948 [1,1,0,0,0,0|1,0,0]=3 178 B5R0.3 C[C@@H](CO)CBr AB3182 [1,1,0,0,0,0|0,0,1]=3 179 B5R0.3 FCC(I)CF AC4509 [1,1,0,0,0,0|2,0,0]=4 180 B5R0.3 NC[C@H](Br)CBr AC1488 [1,1,0,0,0,0|2,0,0]=4 181 B5R0.3 NC[C@H](F)CO 94841 [1,1,0,0,0,0|1,0,1]=4 182 B5R0.3 NC[C@H](F)CO 94845 [1,1,0,0,0,0|1,0,1]=4 183 B5R0.3 NC[C@H](F)CO 94846 [1,1,0,0,0,0|1,0,1]=4 184 B5R0.3 NC[C@H](O)CCl C10413 [1,1,0,0,0,0|2,0,0]=4 185 B5R0.3 NC[C@H](O)CF 94771 [1,1,0,0,0,0|2,0,0]=4 186 B5R0.3 OC[C@H](O)CF 65949 [1,1,0,0,0,0|1,0,1]=4 187 B5R0.3 OC[C@H](O)CF F14582 [1,1,0,0,0,0|1,0,1]=4 188 B5R0.4 C#CC(C)(C)Br AB8396 [1,1,0,0,0,0|0,0,2]=4 189 B5R0.4 CC(C)(Br)CN 55595 [1,1,0,0,0,0|1,0,0]=3 190 B5R0.4 CC(C)(C)NO 77598 [1,1,0,0,0,0|1,0,1]=4 191 B5R0.4 CC(C)(Cl)CCl H11156 [1,1,0,0,0,0|1,0,0]=3 192 B5R0.4 CC(C)(F)CBr 29918 [1,1,0,0,0,0|1,0,0]=3 193 B5R0.4 CC(C)(F)CO P17817 [1,1,0,0,0,0|0,0,1]=3 194 B5R0.4 CC(C)(O)CBr A11164 [1,1,0,0,0,0|1,0,0]=3 195 B5R0.5 CC(=O)[C@H](C)N D76571 [1,1,0,0,0,0|1,0,0]=3 196 B5R0.5 CC(=S)N(C)C 76921 [1,1,0,0,0,0|1,1,0]=4 197 B5R0.5 CN(C)C(=N)N 71417 [1,1,0,0,0,0|2,0,0]=4 198 B5R0.5 C[C@H](N)C(N)=O 25148 [1,1,0,0,0,0|1,0,0]=3 199 B5R0.5 C[C@H](O)C(=N)N 71516 [1,1,0,0,0,0|2,0,0]=4 200 B5R0.5 C[C@H](O)[C@H](C)O C91323 [1,1,0,0,0,0|1,0,1]=4 201 B5R0.2 C#CCCC=C T71785 [1,1,0,0,0,0|1,0,1]=4 202 B5R0.2 C#CCCC=O 89357 [1,1,0,0,0,0|0,0,1]=3 203 B5R0.2 C#CCCCI C78094 [1,1,0,0,0,0|1,0,1]=4 204 B5R0.2 C#CCCCN 72839 [1,1,0,0,0,0|1,0,1]=4 205 B5R0.2 C#CCOCC C90311 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.2 C=CCCNC W16107 [1,1,0,0,0,0|1,0,0]=3 207 B5R0.2 CCCCON 31644 [1,1,0,0,0,0|0,0,2]=4 208 B5R0.2 COCCCO D77912 [1,1,0,0,0,0|0,0,2]=4 209 B5R0.2 NCCCCCl F19552 [1,1,0,0,0,0|1,0,1]=4 210 B5R0.2 NNCCCO AB9423 [1,1,0,0,0,0|2,0,0]=4 211 B5R0.2 O=CCCCO 55817 [1,1,0,0,0,0|0,0,0]=2 212 B7R0.2 C=C[C@@H](O)CC(C)C A12558 [0,2,0,0,0,0|1,0,0]=3 213 B7R0.2 CC(C)CN(C)N=O D93466 [0,2,0,0,0,0|1,0,0]=3 214 B7R0.2 CC(C)NC(=O)CBr A12824 [0,2,0,0,0,0|1,0,0]=3 215 B7R0.2 CC(C)NC(=O)CI A11046 [0,2,0,0,0,0|1,0,0]=3 216 B7R0.2 CC(C)OC(=O)CN FD21588 [0,2,0,0,0,0|1,0,0]=3 217 B7R0.2 CC(C)OC(=O)NN A11099 [0,2,0,0,0,0|1,0,0]=3 218 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,2,0,0,0,0|0,0,0]=2 219 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,2,0,0,0,0|0,0,0]=2 220 B7R0.2 CC[C@H](N)CC(=O)O 51922 [0,2,0,0,0,0|1,0,0]=3 221 B7R0.2 CC[C@H](N)CC(=O)O 52000 [0,2,0,0,0,0|1,0,0]=3 222 B7R0.2 CC[C@H](O)CC(=O)O C14017 [0,2,0,0,0,0|1,0,0]=3 223 B7R0.2 COC(=O)C[C@H](C)N FD10418 [0,2,0,0,0,0|1,0,0]=3 224 B7R0.2 COC(=O)C[C@H](C)N S11691 [0,2,0,0,0,0|1,0,0]=3 225 B7R0.2 COC(C)CC(C)O 78061 [0,2,0,0,0,0|0,0,2]=4 226 B7R0.2 CO\C(C)=C/C(C)=O D93418 [0,2,0,0,0,0|0,0,2]=4 227 B7R0.2 N[C@H](CO)CC(=O)O D95019 [0,2,0,0,0,0|1,0,0]=3 228 B7R0.2 N[C@H](CO)CC(=O)O F14029 [0,2,0,0,0,0|1,0,0]=3 229 B7R0.5 CC(C)[C@@H](O)CCN 83602 [0,2,0,0,0,0|1,0,1]=4 230 B7R0.5 C[C@H](NC=O)C(=O)O FD21046 [0,2,0,0,0,0|1,0,1]=4 231 B7R0.10 CCC(C)[C@H](N)C#N AR2444 [0,2,0,0,0,0|1,0,1]=4 232 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [0,2,0,0,0,0|0,0,2]=4 233 B7R0.11 CC(C)(CO)CCO W16131 [0,2,0,0,0,0|0,0,2]=4 234 B7R0.11 CCC(C)(C)CCCl F50555 [0,2,0,0,0,0|1,0,1]=4 235 B7R0.11 CCCC(C)(C)C#N T70545 [0,2,0,0,0,0|1,0,1]=4 236 B7R0.11 COCC(C)(C)CO BL000418 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.12 CCCC(CO)CO AB7729 [0,2,0,0,0,0|1,0,1]=4 238 B7R0.9 CC(C)(C)CB(O)O C10943 [0,2,0,0,0,0|1,0,1]=4 239 B7R0.9 C[N+](C)(C)CC(=O)O D85123 [0,2,0,0,0,0|1,0,0]=3 240 B7R0.16 CC(=O)C(N)C(C)=O F17513 [0,2,0,0,0,0|1,0,1]=4 241 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [0,2,0,0,0,0|0,0,0]=2 242 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [0,2,0,0,0,0|0,0,0]=2 243 B7R0.16 CC(C)[C@H](N)C(N)=O AC1523 [0,2,0,0,0,0|0,0,0]=2 244 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [0,2,0,0,0,0|1,0,0]=3 245 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [0,2,0,0,0,0|1,0,0]=3 246 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T70290 [0,2,0,0,0,0|1,0,0]=3 247 B7R0.14 CC(C)(C)[C@@H](N)CO 39285 [0,2,0,0,0,0|0,0,2]=4 248 B7R0.14 CC(C)(C)[C@H](N)C#N D79356 [0,2,0,0,0,0|1,0,1]=4 249 B7R0.14 CC(C)(O)[C@@H](F)CN 89812 [0,2,0,0,0,0|1,0,1]=4 250 B7R0.14 CC(C)(O)[C@@H](F)CN P18828 [0,2,0,0,0,0|1,0,1]=4 251 B7R0.14 CN(N=O)C(C)(C)C D93415 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.14 C[C@H](C=O)C(F)(F)F F16383 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.15 CC(C)C(CO)CO 73803 [0,2,0,0,0,0|0,0,2]=4 254 B7R0.15 CC[C@@H](CO)C(C)C C74656 [0,2,0,0,0,0|0,0,2]=4 255 B7R0.15 COC(OC)C(C)C D93459 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.4 CC(C)CCCCBr C74820 [0,2,0,0,0,0|1,0,1]=4 257 B7R0.4 CCCNCC(C)C AC1640 [0,2,0,0,0,0|1,0,1]=4 258 B7R0.6 CC(=O)NNC(C)C F19849 [0,2,0,0,0,0|1,0,0]=3 259 B7R0.6 CC(=O)ON=C(C)C F19954 [0,2,0,0,0,0|1,0,1]=4 260 B7R0.6 CC(C)=CCC(=O)O 24307 [0,2,0,0,0,0|0,0,1]=3 261 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [0,2,0,0,0,0|0,0,1]=3 262 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [0,2,0,0,0,0|1,0,0]=3 263 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [0,2,0,0,0,0|1,0,0]=3 264 B7R0.6 C[S+](C)CCC(=O)O T70554 [0,2,0,0,0,0|1,0,0]=3 265 B7R0.8 CC(C)(O)CCCN 31824 [0,2,0,0,0,0|1,0,1]=4 266 B7R0.8 CC(C)(O)CCCO AB7595 [0,2,0,0,0,0|0,0,2]=4 267 B5R1.2 C[C@H]1CCN1 98100 [1,0,0,1,0,0|1,0,1]=4 268 B5R1.2 C[C@H]1CCN1 P21034 [1,0,0,1,0,0|1,0,1]=4 269 B5R1.2 ClC1CCC1 T70092 [1,0,0,1,0,0|1,0,1]=4 270 B5R1.2 ClC1CNC1 37968 [1,0,0,1,0,0|2,0,0]=4 271 B5R1.2 ClC1COC1 CS1986 [1,0,0,1,0,0|1,0,1]=4 272 B5R1.2 FC1CNC1 SC2901 [1,0,0,1,0,0|2,0,0]=4 273 B5R1.2 IC1CCC1 P17114 [1,0,0,1,0,0|1,0,1]=4 274 B5R1.2 NC1CSC1 39038 [1,0,0,1,0,0|1,1,0]=4 275 B5R1.2 SC1CNC1 38596 [1,0,0,1,0,0|2,0,0]=4 276 B5R1.2 SC1COC1 32902 [1,0,0,1,0,0|1,0,1]=4 277 B5R1.3 ICC1CC1 P19124 [1,0,0,1,0,0|1,0,0]=3 278 B5R1.3 NNC1CC1 26649 [1,0,0,1,0,0|2,0,0]=4 279 B5R1.3 NNC1CC1 BL010354 [1,0,0,1,0,0|2,0,0]=4 280 B5R1.4 CC1CC1N 72192 [1,0,0,1,0,0|1,0,0]=3 281 B5R1.4 CC1CC1N 72742 [1,0,0,1,0,0|1,0,0]=3 282 B5R1.4 N[C@@H]1C[C@@H]1F D79320 [1,0,0,1,0,0|2,0,0]=4 283 B5R1.4 N[C@@H]1C[C@@H]1F P17919 [1,0,0,1,0,0|2,0,0]=4 284 B5R1.4 N[C@@H]1C[C@@H]1O C93526 [1,0,0,1,0,0|1,0,1]=4 285 B5R1.4 N[C@H]1C[C@@H]1F CS3399 [1,0,0,1,0,0|2,0,0]=4 286 B5R1.4 N[C@H]1C[C@@H]1N P18270 [1,0,0,1,0,0|2,0,0]=4 287 B5R1.5 CC1(C)CN1 56316 [1,0,0,1,0,0|1,0,0]=3 288 B5R1.5 CC1(O)CC1 83778 [1,0,0,1,0,0|1,0,1]=4 289 B5R1.1 C1=CCSC1 F20684 [1,0,0,1,0,0|2,0,0]=4 290 B5R1.1 C1CNNC1 26256 [1,0,0,1,0,0|2,0,0]=4 291 B7R1.1 BrC[C@H]1CCOC1 84096 [0,1,0,1,0,0|0,0,2]=4 292 B7R1.1 CC[C@H]1CCNC1 P14869 [0,1,0,1,0,0|1,0,1]=4 293 B7R1.1 CN[C@H]1CCOC1 P18534 [0,1,0,1,0,0|0,0,2]=4 294 B7R1.1 CN[C@H]1CCOC1 P18535 [0,1,0,1,0,0|0,0,2]=4 295 B7R1.1 CO[C@H]1CCNC1 26935 [0,1,0,1,0,0|1,0,1]=4 296 B7R1.1 CO[C@H]1CCNC1 P10862 [0,1,0,1,0,0|1,0,1]=4 297 B7R1.1 FC[C@H]1CCNC1 P18731 [0,1,0,1,0,0|1,0,1]=4 298 B7R1.1 NCC1CCCC1 P10292 [0,1,0,1,0,0|1,0,1]=4 299 B7R1.1 NC[C@H]1CCOC1 37316 [0,1,0,1,0,0|0,0,2]=4 300 B7R1.1 NC[C@H]1CCOC1 68891 [0,1,0,1,0,0|0,0,2]=4 301 B7R1.1 NC[C@H]1CCOC1 P12031 [0,1,0,1,0,0|0,0,2]=4 302 B7R1.1 OC[C@H]1CCNC1 24481 [0,1,0,1,0,0|1,0,1]=4 303 B7R1.1 OC[C@H]1CCNC1 29239 [0,1,0,1,0,0|1,0,1]=4 304 B7R1.1 OC[C@H]1CCNC1 30959 [0,1,0,1,0,0|1,0,1]=4 305 B7R1.1 OC[C@H]1CCOC1 37313 [0,1,0,1,0,0|0,0,2]=4 306 B7R1.1 OC[C@H]1CCOC1 37314 [0,1,0,1,0,0|0,0,2]=4 307 B7R1.2 CC1=CC(=O)CO1 Y10351 [0,1,0,1,0,0|0,0,2]=4 308 B7R1.2 CN1CCC(=O)C1 64220 [0,1,0,1,0,0|1,0,0]=3 309 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,1,0,1,0,0|0,0,0]=2 310 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [0,1,0,1,0,0|0,0,2]=4 311 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [0,1,0,1,0,0|1,0,1]=4 312 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,1,0,1,0,0|1,0,0]=3 313 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,1,0,1,0,0|1,0,0]=3 314 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,1,0,1,0,0|1,0,0]=3 315 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,1,0,1,0,0|1,0,0]=3 316 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,1,0,1,0,0|1,0,0]=3 317 B7R1.2 C[C@H]1COC(=O)O1 D77722 [0,1,0,1,0,0|1,0,0]=3 318 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [0,1,0,1,0,0|1,0,0]=3 319 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [0,1,0,1,0,0|1,0,0]=3 320 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [0,1,0,1,0,0|1,0,0]=3 321 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [0,1,0,1,0,0|1,0,0]=3 322 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,1,0,1,0,0|1,0,0]=3 323 B7R1.2 O=C1CNC(=O)C1 76756 [0,1,0,1,0,0|1,0,1]=4 324 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,1,0,1,0,0|1,0,0]=3 325 B7R1.3 C[C@H]1CCCCN1 C73894 [0,1,0,1,0,0|1,0,1]=4 326 B7R1.3 C[C@H]1CCCNC1 36405 [0,1,0,1,0,0|1,0,1]=4 327 B7R1.3 C[C@H]1CNCCO1 24564 [0,1,0,1,0,0|1,0,1]=4 328 B7R1.3 C[C@H]1CNCCO1 27729 [0,1,0,1,0,0|1,0,1]=4 329 B7R1.3 C[C@H]1CNCCO1 F13460 [0,1,0,1,0,0|1,0,1]=4 330 B7R1.3 C[C@H]1CNCCO1 P11013 [0,1,0,1,0,0|1,0,1]=4 331 B7R1.3 C[C@H]1COCCN1 72593 [0,1,0,1,0,0|0,0,2]=4 332 B7R1.4 CC1CNCC1C P18713 [0,1,0,1,0,0|1,0,1]=4 333 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,1,0,1,0,0|1,0,1]=4 334 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,1,0,1,0,0|1,0,1]=4 335 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [0,1,0,1,0,0|1,0,1]=4 336 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [0,1,0,1,0,0|1,0,1]=4 337 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,1,0,1,0,0|1,0,1]=4 338 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,1,0,1,0,0|0,0,2]=4 341 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,1,0,1,0,0|0,0,2]=4 342 B7R1.6 C=CCC1CNC1 P14594 [0,1,0,1,0,0|1,0,0]=3 343 B7R1.6 CNCC1COC1 32854 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.6 CNC[C@H]1CCO1 D96714 [0,1,0,1,0,0|2,0,0]=4 345 B7R1.6 COCC1CNC1 36064 [0,1,0,1,0,0|2,0,0]=4 346 B7R1.6 COCC1CNC1 37073 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.6 COC[C@H]1CCN1 38829 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.6 COC[C@H]1CCN1 P15803 [0,1,0,1,0,0|2,0,0]=4 349 B7R1.6 N#CCC1CCC1 55430 [0,1,0,1,0,0|1,0,1]=4 350 B7R1.6 N#CCC1CNC1 P14687 [0,1,0,1,0,0|1,0,1]=4 351 B7R1.6 N#CCC1COC1 D79136 [0,1,0,1,0,0|1,0,1]=4 352 B7R1.6 NCCC1CCC1 P10851 [0,1,0,1,0,0|1,0,1]=4 353 B7R1.6 NCCC1COC1 85783 [0,1,0,1,0,0|1,0,1]=4 354 B7R1.6 NNCC1CCC1 P12716 [0,1,0,1,0,0|2,0,0]=4 355 B7R1.6 O=CCC1CCC1 55432 [0,1,0,1,0,0|0,0,0]=2 356 B7R1.6 O=CCC1COC1 CS2316 [0,1,0,1,0,0|0,0,0]=2 357 B7R1.6 OCCC1CCC1 32129 [0,1,0,1,0,0|0,0,2]=4 358 B7R1.6 OCCC1CNC1 P16512 [0,1,0,1,0,0|0,0,2]=4 359 B7R1.6 OCCC1COC1 32759 [0,1,0,1,0,0|0,0,2]=4 360 B7R1.6 OCC[C@H]1CCO1 P17680 [0,1,0,1,0,0|0,0,2]=4 361 B7R1.8 CC1NCC1C#N D96740 [0,1,0,1,0,0|1,0,1]=4 362 B7R1.9 NCC1CC1CO C14991 [0,1,0,1,0,0|0,0,2]=4 363 B7R1.9 NC[C@H]1C[C@@H]1CN D79389 [0,1,0,1,0,0|1,0,1]=4 364 B7R1.9 OC[C@H]1C[C@H]1CO P16470 [0,1,0,1,0,0|0,0,2]=4 365 B7R1.10 C=C1CC(CO)C1 D79070 [0,1,0,1,0,0|1,0,0]=3 366 B7R1.10 CC1CC(CN)C1 72944 [0,1,0,1,0,0|1,0,1]=4 367 B7R1.10 CN1CC(CN)C1 37075 [0,1,0,1,0,0|2,0,0]=4 368 B7R1.10 CN1CC(CO)C1 P17862 [0,1,0,1,0,0|2,0,0]=4 369 B7R1.10 CNC1CC(C)C1 72947 [0,1,0,1,0,0|1,0,1]=4 370 B7R1.10 CNC1CC(O)C1 37731 [0,1,0,1,0,0|0,0,2]=4 371 B7R1.10 CNC1CN(C)C1 38831 [0,1,0,1,0,0|2,0,0]=4 372 B7R1.10 CN[C@H]1C[C@@H](O)C1 P13897 [0,1,0,1,0,0|0,0,2]=4 373 B7R1.10 CN[C@H]1C[C@H](O)C1 38892 [0,1,0,1,0,0|0,0,2]=4 374 B7R1.10 COC1CC(=O)C1 P12741 [0,1,0,1,0,0|0,0,0]=2 375 B7R1.10 COC1CC(N)C1 37221 [0,1,0,1,0,0|1,0,1]=4 376 B7R1.10 COC1CC(O)C1 R10063 [0,1,0,1,0,0|0,0,2]=4 377 B7R1.10 CO[C@H]1C[C@@H](N)C1 39167 [0,1,0,1,0,0|1,0,1]=4 378 B7R1.10 CO[C@H]1C[C@H](N)C1 39168 [0,1,0,1,0,0|1,0,1]=4 379 B7R1.10 NCC1CC(F)C1 38649 [0,1,0,1,0,0|1,0,1]=4 380 B7R1.10 NCC1CC(O)C1 37219 [0,1,0,1,0,0|0,0,2]=4 381 B7R1.10 NC[C@H]1C[C@H](O)C1 37659 [0,1,0,1,0,0|0,0,2]=4 382 B7R1.10 N[C@H]1C[C@@H](CO)C1 29808 [0,1,0,1,0,0|1,0,1]=4 383 B7R1.10 N[C@H]1C[C@@H](CO)C1 37494 [0,1,0,1,0,0|1,0,1]=4 384 B7R1.10 N[C@H]1C[C@H](CO)C1 37495 [0,1,0,1,0,0|1,0,1]=4 385 B7R1.10 O=C1CC(CBr)C1 39031 [0,1,0,1,0,0|0,0,0]=2 386 B7R1.10 O=C1CC(CCl)C1 P11243 [0,1,0,1,0,0|0,0,0]=2 387 B7R1.10 O=C1C[C@H](CO)N1 P17668 [0,1,0,1,0,0|1,0,0]=3 388 B7R1.10 OCC1CC(F)C1 72453 [0,1,0,1,0,0|1,0,1]=4 389 B7R1.10 OCC1CC(O)C1 N10548 [0,1,0,1,0,0|0,0,2]=4 390 B7R1.10 O[C@H]1C[C@@H](CF)C1 P21066 [0,1,0,1,0,0|0,0,2]=4 391 B7R1.21 CC1(CCO)CC1 P14058 [0,1,0,1,0,0|0,0,2]=4 392 B7R1.22 N[C@@H](CO)C1CC1 N11217 [0,1,0,1,0,0|0,0,2]=4 393 B7R1.22 N[C@@H](CO)C1CC1 P18914 [0,1,0,1,0,0|0,0,2]=4 394 B7R1.22 N[C@@H](CO)C1CC1 Y14567 [0,1,0,1,0,0|0,0,2]=4 395 B7R1.25 CC1(CF)CNC1 D79152 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.25 CC1(CN)CNC1 80498 [0,1,0,1,0,0|2,0,0]=4 397 B7R1.25 CC1(CO)CCC1 90942 [0,1,0,1,0,0|1,0,1]=4 398 B7R1.25 CC1(CO)CNC1 73126 [0,1,0,1,0,0|2,0,0]=4 399 B7R1.25 CCC1(C)CNC1 D79218 [0,1,0,1,0,0|2,0,0]=4 400 B7R1.25 CNC1(C)COC1 39042 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.25 C[C@]1(CN)CCO1 D79679 [0,1,0,1,0,0|0,0,2]=4 402 B7R1.25 C[C@]1(CN)CCO1 P20357 [0,1,0,1,0,0|0,0,2]=4 403 B7R1.25 C[C@]1(CO)CCN1 P18401 [0,1,0,1,0,0|1,0,1]=4 404 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [0,1,0,1,0,0|0,0,0]=2 405 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [0,1,0,1,0,0|0,0,0]=2 406 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3201 [0,1,0,1,0,0|1,0,0]=3 407 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P15680 [0,1,0,1,0,0|1,0,0]=3 408 B7R1.16 CC1(C)CC(=O)C1 P13045 [0,1,0,1,0,0|0,0,0]=2 409 B7R1.16 CC1(C)CC(=O)N1 D72853 [0,1,0,1,0,0|0,0,0]=2 410 B7R1.16 CC1(C)CC(N)C1 P15356 [0,1,0,1,0,0|1,0,1]=4 411 B7R1.16 CC1(C)CC(O)C1 P16551 [0,1,0,1,0,0|0,0,2]=4 412 B7R1.16 CC1(N)CC(=O)C1 P17533 [0,1,0,1,0,0|0,0,0]=2 413 B7R1.16 CC1(N)CC(F)C1 P18908 [0,1,0,1,0,0|1,0,1]=4 414 B7R1.16 CC1(N)CC(O)C1 38885 [0,1,0,1,0,0|0,0,2]=4 415 B7R1.16 C[C@]1(N)C[C@@H](O)C1 P13531 [0,1,0,1,0,0|0,0,2]=4 416 B7R1.16 C[C@]1(N)C[C@H](O)C1 38886 [0,1,0,1,0,0|0,0,2]=4 417 B7R1.16 C[C@]1(O)C[C@@H](N)C1 38620 [0,1,0,1,0,0|1,0,1]=4 418 B7R1.16 NC1CS(=O)(=O)C1 72849 [0,1,0,1,0,0|2,0,0]=4 419 B7R1.16 NC1CS(=O)(=O)C1 P12401 [0,1,0,1,0,0|2,0,0]=4 420 B7R1.16 O=C1CC(F)(F)C1 38849 [0,1,0,1,0,0|1,0,0]=3 421 B7R1.16 O=S1(=O)CC(Br)C1 AT23423 [0,1,0,1,0,0|2,0,0]=4 422 B7R1.16 O=S1(=O)CC(Br)C1 FD15009 [0,1,0,1,0,0|2,0,0]=4 423 B7R1.20 C[C@H](O)CC1CC1 79072 [0,1,0,1,0,0|0,0,2]=4 424 B7R1.20 O=C(Cl)CC1CC1 P19146 [0,1,0,1,0,0|0,0,0]=2 425 B7R1.20 O=C(O)C[C@H]1CO1 P18471 [0,1,0,1,0,0|1,0,0]=3 426 B7R1.17 CC1(C)CC[C@@H]1N AT10475 [0,1,0,1,0,0|1,0,1]=4 427 B7R1.18 CC(C)C1CNC1 D79219 [0,1,0,1,0,0|1,0,1]=4 428 B7R1.19 CC(C)C1(O)CC1 P17163 [0,1,0,1,0,0|1,0,1]=4 429 B7R1.7 C=CCC[C@H]1CO1 61994 [0,1,0,1,0,0|2,0,0]=4 430 B7R1.7 OCCCC1CC1 F52480 [0,1,0,1,0,0|0,0,2]=4 431 B7R1.14 CC1(Br)CCCC1 P19649 [0,1,0,1,0,0|1,0,1]=4 432 B7R1.14 CC1(C)CCCN1 71736 [0,1,0,1,0,0|1,0,1]=4 433 B7R1.14 CC1(C)CCCN1 71895 [0,1,0,1,0,0|1,0,1]=4 434 B7R1.14 CC1(C)CCNC1 28371 [0,1,0,1,0,0|1,0,1]=4 435 B7R1.14 CC1(C)COCN1 FD10630 [0,1,0,1,0,0|1,0,1]=4 436 B7R1.14 CC1(N)CCCC1 90423 [0,1,0,1,0,0|1,0,1]=4 437 B7R1.14 C[C@]1(F)CCNC1 P15373 [0,1,0,1,0,0|1,0,1]=4 438 B7R1.14 C[C@]1(N)CCOC1 38927 [0,1,0,1,0,0|0,0,2]=4 439 B7R1.14 C[C@]1(O)CCNC1 D96498 [0,1,0,1,0,0|1,0,1]=4 440 B7R1.14 C[C@]1(O)CCOC1 69114 [0,1,0,1,0,0|0,0,2]=4 441 B7R1.26 CC(C)(N)C1CC1 72848 [0,1,0,1,0,0|1,0,1]=4 442 B7R1.26 CC(C)(O)C1CC1 78550 [0,1,0,1,0,0|1,0,1]=4 443 B7R2.11 C1NC2CC1C2 37897 [0,0,0,2,0,0|1,0,1]=4 444 B7R2.13 C1CC2CC2N1 33368 [0,0,0,2,0,0|1,0,1]=4 445 B7R2.13 C1NCC2CC12 80426 [0,0,0,2,0,0|1,0,1]=4 446 B7R2.16 C1CC12CNC2 87106 [0,0,0,2,0,0|2,0,0]=4