0 B5R0.1 C=CC[C@H](C)O 71459 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 C=CC[C@H](C)O A12634 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 CCC[C@H](C)N P14575 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 CCC[C@H](C)N Y10887 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 CN(C)CC=O D88083 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CN(C)CCO D93012 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 CNCC(F)F D86102 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CNC[C@H](C)O AC1157 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 CNC[C@H](C)O N12528 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 COC[C@H](C)Br 78860 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 COC[C@H](C)N 25526 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 COC[C@H](C)N D95458 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 COC[C@H](C)N W17998 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 C[C@H](N)CC#N 12486 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 C[C@H](O)CC#N 87623 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.1 C[C@H](O)CCN 83616 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.1 C[C@H](O)CON O10313 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 C[S+](C)CCCl 77752 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.1 C\C(I)=C/CI AC8880 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.1 C\C(I)=C\CI AC3855 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.1 O=C(O)\C=C\Br AC1121 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 O=C(O)\C=C\I W15430 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.1 C#C[C@H](C)N AB1311 [1,0,0,0,0,0|1,0,2]=4 23 B4R0.1 C#C[C@H](C)N F31055 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.1 C=C[C@H](C)N 81150 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 C=C[C@H](C)N C77628 [1,0,0,0,0,0|1,0,0]=2 26 B4R0.1 C=C[C@H](C)N N11410 [1,0,0,0,0,0|1,0,0]=2 27 B4R0.1 CC(C)CBr P19652 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 CC[C@H](C)N 74047 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 C[C@H](Br)CN F11189 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 C[C@H](Br)CO W17591 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 C[C@H](Cl)CN Y14715 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 C[C@H](N)C#N I11084 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 C[C@H](N)CF AC1136 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 C[C@H](N)CF AC6177 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 C\C=C(\C)Br D93160 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.2 C=C\C=C/C T71862 [1,0,0,0,0,0|0,0,2]=3 37 B4R0.2 CCCCN T70838 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.2 CCONC AT14498 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.2 COCCI A50601 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.2 CSCCN D73275 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 N\C=C\C=O W10858 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.1 C=CC[C@H](N)CO F16846 [0,1,0,0,0,0|1,0,2]=4 43 B6R0.1 CCC[C@@H](Br)CC D78429 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.1 CCC[C@H](N)CO C13482 [0,1,0,0,0,0|1,0,2]=4 45 B6R0.1 CCO[C@@H](C)CO 91003 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.1 COC(=O)\C=C\I C10406 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.1 COC[C@@H](O)CN 94767 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [0,1,0,0,0,0|1,0,1]=3 49 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [0,1,0,0,0,0|1,0,1]=3 50 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [0,1,0,0,0,0|1,0,1]=3 51 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.2 CC(Br)CC(C)Br T70499 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.2 CC(C)CC(N)=O C75541 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.2 CC(C)NC(N)=O 44261 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.2 C[C@H](N)CN(C)C 76720 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.2 C[C@H](O)CC(=O)O C10552 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.2 C[C@H](O)CN(C)C A11394 [0,1,0,0,0,0|1,0,2]=4 58 B6R0.3 CC(C)C(=O)CCl D94573 [0,1,0,0,0,0|1,0,1]=3 59 B6R0.3 CC(C)[C@@H](C)CO D93394 [0,1,0,0,0,0|1,0,2]=4 60 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.3 CN(C)C(=O)CN FD21613 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.3 CNC(=O)[C@H](C)N C78177 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.3 CNC(=O)[C@H](C)N C78349 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.3 CNC(=O)[C@H](C)N FD21069 [0,1,0,0,0,0|2,0,0]=3 65 B6R0.3 COC(=O)N(C)C D93880 [0,1,0,0,0,0|2,0,0]=3 66 B6R0.3 CSC(=S)N(C)C D93298 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.3 C\C=C(\C)B(O)O A50050 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.4 C#CCOC(C)C 79308 [0,1,0,0,0,0|0,0,3]=4 69 B6R0.4 CC(C)CCC=O 31143 [0,1,0,0,0,0|1,0,1]=3 70 B6R0.4 CC(C)OCCBr 33996 [0,1,0,0,0,0|1,0,1]=3 71 B6R0.4 CC(C)OCCN T71353 [0,1,0,0,0,0|1,0,1]=3 72 B6R0.4 CCOC[C@H](C)N 75202 [0,1,0,0,0,0|1,0,2]=4 73 B6R0.4 COC=CC(=O)O D97266 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.4 C[C@H](Cl)CCCCl A11066 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.4 O=C(O)\C=C\CCl 11303 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.5 C#CCC(C)(C)O 77946 [0,1,0,0,0,0|0,0,3]=4 77 B6R0.5 C=CCC(C)(C)C T71314 [0,1,0,0,0,0|0,0,2]=3 78 B6R0.5 C=CC[N+](C)(C)C AC2497 [0,1,0,0,0,0|1,0,2]=4 79 B6R0.5 CC(C)(C)C=NO AR2360 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.5 CC(C)(C)CCI D86336 [0,1,0,0,0,0|1,0,2]=4 81 B6R0.5 CC(C)(F)CCN W17442 [0,1,0,0,0,0|1,0,2]=4 82 B6R0.5 CC(C)(O)CCN A51232 [0,1,0,0,0,0|1,0,2]=4 83 B6R0.5 CC(C)(O)CON AC7988 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.5 CNCC(C)(C)F 85781 [0,1,0,0,0,0|1,0,1]=3 85 B6R0.5 C[Si](C)(C)\C=C\I 12266 [0,1,0,0,0,0|1,1,0]=3 86 B6R1.2 CC1=CC=CN1 23756 [0,0,0,1,0,0|1,0,2]=4 87 B6R1.2 CC1=CNC=C1 59365 [0,0,0,1,0,0|1,0,2]=4 88 B6R1.2 CC1=COC=C1 W18310 [0,0,0,1,0,0|1,0,2]=4 89 B6R1.2 CC1=NOC=C1 35767 [0,0,0,1,0,0|2,0,1]=4 90 B6R1.2 C[C@H]1CCNC1 69327 [0,0,0,1,0,0|1,0,1]=3 91 B6R1.2 C[C@H]1CCSC1 70016 [0,0,0,1,0,0|1,0,1]=3 92 B6R1.2 Cl[C@H]1CCNC1 W15835 [0,0,0,1,0,0|2,0,1]=4 93 B6R1.2 Cl[C@H]1CCOC1 N12419 [0,0,0,1,0,0|2,0,1]=4 94 B6R1.2 F[C@H]1CCNC1 P10396 [0,0,0,1,0,0|2,0,1]=4 95 B6R1.2 F[C@H]1CCNC1 P10397 [0,0,0,1,0,0|2,0,1]=4 96 B6R1.2 IC1=COCC1 P19286 [0,0,0,1,0,0|2,0,1]=4 97 B6R1.2 I[C@H]1CCOC1 37310 [0,0,0,1,0,0|2,0,1]=4 98 B6R1.2 I[C@H]1CCOC1 37311 [0,0,0,1,0,0|2,0,1]=4 99 B6R1.2 N[C@H]1CCSC1 70834 [0,0,0,1,0,0|2,0,1]=4 100 B6R1.2 O=C1C=CCN1 AC1277 [0,0,0,1,0,0|2,0,1]=4 101 B6R1.2 O[C@H]1CCSC1 50208 [0,0,0,1,0,0|2,0,1]=4 102 B6R1.3 BrC#CC1CC1 31752 [0,0,0,1,0,0|1,0,2]=4 103 B6R1.3 BrCCC1CC1 32177 [0,0,0,1,0,0|1,0,2]=4 104 B6R1.3 C#CCC1CC1 70830 [0,0,0,1,0,0|0,0,3]=4 105 B6R1.3 CNCC1CC1 P11100 [0,0,0,1,0,0|1,0,1]=3 106 B6R1.3 ICCC1CC1 73383 [0,0,0,1,0,0|1,0,2]=4 107 B6R1.3 NNCC1CC1 P11241 [0,0,0,1,0,0|2,0,1]=4 108 B6R1.3 NOCC1CC1 59190 [0,0,0,1,0,0|2,0,1]=4 109 B6R1.3 O=CCC1CC1 P10743 [0,0,0,1,0,0|1,0,1]=3 110 B6R1.5 CC1CC(=O)C1 P12177 [0,0,0,1,0,0|1,0,1]=3 111 B6R1.5 CC1CC(N)C1 72358 [0,0,0,1,0,0|1,0,2]=4 112 B6R1.5 CN1CC(=O)C1 P15929 [0,0,0,1,0,0|2,0,1]=4 113 B6R1.5 CN1CC(Cl)C1 P18477 [0,0,0,1,0,0|2,0,1]=4 114 B6R1.5 CN1CC(N)C1 37022 [0,0,0,1,0,0|2,0,1]=4 115 B6R1.5 CN1CC(O)C1 37023 [0,0,0,1,0,0|2,0,1]=4 116 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [0,0,0,1,0,0|2,0,0]=3 117 B6R1.5 C[C@H]1C[C@@H](N)C1 P18428 [0,0,0,1,0,0|1,0,2]=4 118 B6R1.5 C[C@H]1C[C@H](N)C1 D79129 [0,0,0,1,0,0|1,0,2]=4 119 B6R1.5 O=C1CC(O)C1 P12929 [0,0,0,1,0,0|2,0,1]=4 120 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [0,0,0,1,0,0|1,0,2]=4 121 B6R1.9 CC1(C)C[C@@H]1N 69330 [0,0,0,1,0,0|1,0,2]=4 122 B6R1.10 CC1(F)CNC1 88058 [0,0,0,1,0,0|2,0,1]=4 123 B6R1.10 CC1(N)CCC1 P10590 [0,0,0,1,0,0|1,0,2]=4 124 B6R1.10 CC1(N)CCC1 P10892 [0,0,0,1,0,0|1,0,2]=4 125 B6R1.10 CC1(N)COC1 52948 [0,0,0,1,0,0|2,0,1]=4 126 B6R1.10 CC1(N)CSC1 P16047 [0,0,0,1,0,0|2,0,1]=4 127 B6R1.10 CC1(O)CCC1 83777 [0,0,0,1,0,0|1,0,2]=4 128 B6R1.10 CC1(O)CNC1 54439 [0,0,0,1,0,0|2,0,1]=4 129 B6R1.10 CC1(O)CSC1 P15377 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.11 C[C@H](N)C1CC1 N10509 [0,0,0,1,0,0|1,0,2]=4 131 B6R1.11 C[C@H](N)C1CC1 W12229 [0,0,0,1,0,0|1,0,2]=4 132 B6R1.11 C[C@H](O)C1CC1 C77522 [0,0,0,1,0,0|1,0,2]=4 133 B6R1.11 C[C@H](O)C1CC1 C77523 [0,0,0,1,0,0|1,0,2]=4 134 B3R0.1 CCNN D79778 [2,0,0,0,0,0|2,0,0]=4 135 B3R0.1 CCON C13232 [2,0,0,0,0,0|2,0,0]=4 136 B3R0.1 C[Se][Se]C H10908 [2,0,0,0,0,0|2,0,0]=4 137 B3R0.2 CC(Br)Br D78418 [2,0,0,0,0,0|2,0,0]=4 138 B3R0.2 C[S+](C)C AC2631 [2,0,0,0,0,0|1,0,0]=3 139 B5R0.3 C=C[C@@H](N)CO 52208 [1,1,0,0,0,0|1,0,0]=3 140 B5R0.3 C=C[C@@H](N)CO 52209 [1,1,0,0,0,0|1,0,0]=3 141 B5R0.3 C=C[C@@H](N)CO 52211 [1,1,0,0,0,0|1,0,0]=3 142 B5R0.3 C=C[C@@H](O)CO 56500 [1,1,0,0,0,0|1,0,0]=3 143 B5R0.3 C=C[C@H](C)ON F31247 [1,1,0,0,0,0|1,0,0]=3 144 B5R0.3 CC[C@H](C)CN 88665 [1,1,0,0,0,0|0,0,1]=3 145 B5R0.3 CN[C@@H](C)CO AC8719 [1,1,0,0,0,0|1,0,0]=3 146 B5R0.3 CN[C@@H](C)CO C77593 [1,1,0,0,0,0|1,0,0]=3 147 B5R0.3 CN[C@@H](C)CO D80042 [1,1,0,0,0,0|1,0,0]=3 148 B5R0.3 CN[C@@H](C)CO D80344 [1,1,0,0,0,0|1,0,0]=3 149 B5R0.3 CN[C@@H](C)CO D82586 [1,1,0,0,0,0|1,0,0]=3 150 B5R0.3 CO[C@@H](C)CN 91001 [1,1,0,0,0,0|1,0,0]=3 151 B5R0.3 CO[C@@H](C)CO 91002 [1,1,0,0,0,0|1,0,0]=3 152 B5R0.3 C[C@@H](CN)CCl 72948 [1,1,0,0,0,0|1,0,1]=4 153 B5R0.3 C[C@@H](CO)CBr AB3182 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.4 C#CC(C)(C)Br AB8396 [1,1,0,0,0,0|0,0,2]=4 155 B5R0.4 C=CC(F)(F)Br T70905 [1,1,0,0,0,0|2,0,0]=4 156 B5R0.4 CC(C)(Br)CN 55595 [1,1,0,0,0,0|1,0,1]=4 157 B5R0.4 CC(C)(C)NO 77598 [1,1,0,0,0,0|2,0,0]=4 158 B5R0.4 CC(C)(Cl)CCl H11156 [1,1,0,0,0,0|1,0,1]=4 159 B5R0.4 CC(C)(F)CBr 29918 [1,1,0,0,0,0|1,0,1]=4 160 B5R0.4 CC(C)(F)CO P17817 [1,1,0,0,0,0|1,0,1]=4 161 B5R0.4 CC(C)(O)CBr A11164 [1,1,0,0,0,0|1,0,1]=4 162 B5R0.5 CC(=O)[C@H](C)N D76571 [1,1,0,0,0,0|1,0,0]=3 163 B5R0.5 CC(=S)N(C)C 76921 [1,1,0,0,0,0|1,0,0]=3 164 B5R0.5 CN(C)C(=N)N 71417 [1,1,0,0,0,0|2,0,0]=4 165 B5R0.5 C[C@H](N)C(N)=O 25148 [1,1,0,0,0,0|2,0,0]=4 166 B5R0.5 C[C@H](O)C(=N)N 71516 [1,1,0,0,0,0|2,0,0]=4 167 B5R0.5 C[C@H](O)[C@H](C)O C91323 [1,1,0,0,0,0|1,0,1]=4 168 B5R0.2 C=CCCNC W16107 [1,1,0,0,0,0|0,0,2]=4 169 B5R0.2 CNOCCN D97505 [1,1,0,0,0,0|2,0,0]=4 170 B5R0.2 COCCCO D77912 [1,1,0,0,0,0|1,0,1]=4 171 B5R0.2 NC\C=C\CN E70437 [1,1,0,0,0,0|1,0,0]=3 172 B5R0.2 O=CCCCO 55817 [1,1,0,0,0,0|1,0,1]=4 173 B7R0.2 C=C[C@@H](O)CC(C)C A12558 [0,2,0,0,0,0|0,0,2]=4 174 B7R0.2 CC(C)CN(C)N=O D93466 [0,2,0,0,0,0|1,0,1]=4 175 B7R0.2 CC(C)NC(=O)CBr A12824 [0,2,0,0,0,0|1,0,0]=3 176 B7R0.2 CC(C)NC(=O)CI A11046 [0,2,0,0,0,0|1,0,0]=3 177 B7R0.2 CC(C)OC(=O)CN FD21588 [0,2,0,0,0,0|1,0,0]=3 178 B7R0.2 CC(C)OC(=O)NN A11099 [0,2,0,0,0,0|2,0,0]=4 179 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,2,0,0,0,0|1,0,1]=4 180 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,2,0,0,0,0|0,0,1]=3 181 B7R0.2 COC(=O)C[C@H](C)N FD10418 [0,2,0,0,0,0|1,0,1]=4 182 B7R0.2 COC(=O)C[C@H](C)N S11691 [0,2,0,0,0,0|1,0,1]=4 183 B7R0.2 COC(C)CC(C)O 78061 [0,2,0,0,0,0|0,0,2]=4 184 B7R0.2 CO\C(C)=C/C(C)=O D93418 [0,2,0,0,0,0|0,0,1]=3 185 B7R0.3 COC(=O)\C=C\CCl AT12623 [0,2,0,0,0,0|1,0,1]=4 186 B7R0.3 COC(=O)\C=C\CN AT20770 [0,2,0,0,0,0|1,0,1]=4 187 B7R0.5 CC(C)[C@@H](O)CCN 83602 [0,2,0,0,0,0|0,0,2]=4 188 B7R0.5 CCOC(=O)[C@H](C)O D75729 [0,2,0,0,0,0|1,0,1]=4 189 B7R0.5 CCSC(=O)[C@H](C)N C14826 [0,2,0,0,0,0|1,0,1]=4 190 B7R0.10 C=CC(=O)N(C)OC AT20366 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [0,2,0,0,0,0|2,0,0]=4 192 B7R0.10 CC[C@H](O)C(=O)OC 98375 [0,2,0,0,0,0|2,0,0]=4 193 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [0,2,0,0,0,0|1,0,0]=3 194 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [0,2,0,0,0,0|2,0,0]=4 195 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [0,2,0,0,0,0|1,0,0]=3 196 B7R0.10 COC(=O)[C@@H](Cl)CCl D77820 [0,2,0,0,0,0|2,0,0]=4 197 B7R0.10 COC(=O)[C@@H](N)CCl FD3044 [0,2,0,0,0,0|2,0,0]=4 198 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [0,2,0,0,0,0|2,0,0]=4 199 B7R0.10 COC(=O)[C@@H](O)CN D97235 [0,2,0,0,0,0|2,0,0]=4 200 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [0,2,0,0,0,0|2,0,0]=4 201 B7R0.11 CCCC(C)(C)C#N T70545 [0,2,0,0,0,0|0,0,2]=4 202 B7R0.11 COCC(C)(C)CO BL000418 [0,2,0,0,0,0|1,0,1]=4 203 B7R0.12 CCCC(CO)CO AB7729 [0,2,0,0,0,0|0,0,2]=4 204 B7R0.12 CCN[C@@H](CC)CO 29377 [0,2,0,0,0,0|1,0,1]=4 205 B7R0.9 CC(C)OC(C)(C)C A10887 [0,2,0,0,0,0|1,0,1]=4 206 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [0,2,0,0,0,0|1,0,1]=4 207 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [0,2,0,0,0,0|1,0,1]=4 208 B7R0.16 CC(C)[C@H](N)C(N)=O AC1523 [0,2,0,0,0,0|1,0,1]=4 209 B7R0.14 CC(C)(C)C(=N)NO W12576 [0,2,0,0,0,0|2,0,0]=4 210 B7R0.14 CC(C)(C)C(=O)CN F11054 [0,2,0,0,0,0|1,0,1]=4 211 B7R0.14 CC(C)(C)C(=O)CO F50563 [0,2,0,0,0,0|1,0,1]=4 212 B7R0.14 CC(C)(O)C(=N)NO F18387 [0,2,0,0,0,0|2,0,0]=4 213 B7R0.14 CC(C)(O)C(=O)NN A10178 [0,2,0,0,0,0|2,0,0]=4 214 B7R0.14 CN[S@@](=O)C(C)(C)C D81167 [0,2,0,0,0,0|2,0,0]=4 215 B7R0.15 CC[C@@H](CO)C(C)C C74656 [0,2,0,0,0,0|0,0,2]=4 216 B7R0.15 COC(OC)C(C)C D93459 [0,2,0,0,0,0|1,0,1]=4 217 B7R0.4 CC(C)CCCCBr C74820 [0,2,0,0,0,0|0,0,2]=4 218 B7R0.4 CCCNCC(C)C AC1640 [0,2,0,0,0,0|0,0,2]=4 219 B7R0.6 CC(=O)NNC(C)C F19849 [0,2,0,0,0,0|1,0,0]=3 220 B7R0.6 CC(=O)ON=C(C)C F19954 [0,2,0,0,0,0|1,0,1]=4 221 B7R0.6 CC(C)=CCC(=O)O 24307 [0,2,0,0,0,0|1,0,1]=4 222 B7R0.8 CC(C)(C)C#CCN 31671 [0,2,0,0,0,0|0,0,2]=4 223 B7R0.8 CC(C)(O)CCCN 31824 [0,2,0,0,0,0|0,0,2]=4 224 B7R0.8 CC(C)(O)CCCO AB7595 [0,2,0,0,0,0|0,0,2]=4 225 B7R0.8 C[Si](C)(C)\C=C\CO A12674 [0,2,0,0,0,0|0,1,0]=3 226 B7R0.8 OC\C=C/C(F)(F)F 58527 [0,2,0,0,0,0|2,0,0]=4 227 B7R0.8 OC\C=C\C(F)(F)F D72794 [0,2,0,0,0,0|2,0,0]=4 228 B5R1.2 C[C@H]1CCN1 98100 [1,0,0,1,0,0|1,0,0]=3 229 B5R1.2 C[C@H]1CCN1 P21034 [1,0,0,1,0,0|1,0,0]=3 230 B5R1.2 ClC1CCC1 T70092 [1,0,0,1,0,0|1,0,1]=4 231 B5R1.2 IC1CCC1 P17114 [1,0,0,1,0,0|1,0,1]=4 232 B5R1.3 ICC1CC1 P19124 [1,0,0,1,0,0|1,0,1]=4 233 B5R1.3 NNC1CC1 26649 [1,0,0,1,0,0|2,0,0]=4 234 B5R1.3 NNC1CC1 BL010354 [1,0,0,1,0,0|2,0,0]=4 235 B5R1.4 CC1CC1N 72192 [1,0,0,1,0,0|1,0,1]=4 236 B5R1.4 CC1CC1N 72742 [1,0,0,1,0,0|1,0,1]=4 237 B5R1.5 CC1(C)CN1 56316 [1,0,0,1,0,0|1,0,0]=3 238 B5R1.5 CC1(O)CC1 83778 [1,0,0,1,0,0|1,0,1]=4 239 B5R1.1 C1=CCSC1 F20684 [1,0,0,1,0,0|1,0,0]=3 240 B5R1.1 C1CNNC1 26256 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.1 BrCC1=CCCC1 37275 [0,1,0,1,0,0|0,0,2]=4 242 B7R1.1 BrC[C@H]1CCOC1 84096 [0,1,0,1,0,0|1,0,1]=4 243 B7R1.1 CC[C@H]1CCCN1 F16886 [0,1,0,1,0,0|1,0,1]=4 244 B7R1.1 CC[C@H]1CCNC1 P14869 [0,1,0,1,0,0|1,0,1]=4 245 B7R1.1 CN[C@H]1CCOC1 P18534 [0,1,0,1,0,0|1,0,1]=4 246 B7R1.1 CN[C@H]1CCOC1 P18535 [0,1,0,1,0,0|1,0,1]=4 247 B7R1.1 COC1=CCCC1 D93350 [0,1,0,1,0,0|0,0,2]=4 248 B7R1.1 CO[C@H]1CCNC1 26935 [0,1,0,1,0,0|1,0,1]=4 249 B7R1.1 CO[C@H]1CCNC1 P10862 [0,1,0,1,0,0|1,0,1]=4 250 B7R1.1 FC[C@H]1CCCN1 37688 [0,1,0,1,0,0|1,0,1]=4 251 B7R1.1 FC[C@H]1CCCN1 P11073 [0,1,0,1,0,0|1,0,1]=4 252 B7R1.1 FC[C@H]1CCNC1 P18731 [0,1,0,1,0,0|1,0,1]=4 253 B7R1.1 NCC1CCCC1 P10292 [0,1,0,1,0,0|0,0,2]=4 254 B7R1.1 NC[C@H]1CCCN1 83159 [0,1,0,1,0,0|1,0,1]=4 255 B7R1.1 NC[C@H]1CCCO1 83007 [0,1,0,1,0,0|1,0,1]=4 256 B7R1.1 NC[C@H]1CCCO1 S11127 [0,1,0,1,0,0|1,0,1]=4 257 B7R1.1 NC[C@H]1CCOC1 37316 [0,1,0,1,0,0|1,0,1]=4 258 B7R1.1 NC[C@H]1CCOC1 68891 [0,1,0,1,0,0|1,0,1]=4 259 B7R1.1 NC[C@H]1CCOC1 P12031 [0,1,0,1,0,0|1,0,1]=4 260 B7R1.1 OC[C@H]1CCCO1 66575 [0,1,0,1,0,0|1,0,1]=4 261 B7R1.1 OC[C@H]1CCNC1 24481 [0,1,0,1,0,0|1,0,1]=4 262 B7R1.1 OC[C@H]1CCNC1 29239 [0,1,0,1,0,0|1,0,1]=4 263 B7R1.1 OC[C@H]1CCNC1 30959 [0,1,0,1,0,0|1,0,1]=4 264 B7R1.1 OC[C@H]1CCOC1 37313 [0,1,0,1,0,0|1,0,1]=4 265 B7R1.1 OC[C@H]1CCOC1 37314 [0,1,0,1,0,0|1,0,1]=4 266 B7R1.2 CC1=CC(=O)CO1 Y10351 [0,1,0,1,0,0|1,0,1]=4 267 B7R1.2 CC1=CN(C)C=N1 11615 [0,1,0,1,0,0|1,0,1]=4 268 B7R1.2 CC1=CN(C)N=N1 O10352 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.2 CC1=CSC(C)=C1 O10605 [0,1,0,1,0,0|0,0,2]=4 270 B7R1.2 CC1=NN=C(C)C1 N10051 [0,1,0,1,0,0|1,0,1]=4 271 B7R1.2 CN1CCC(=O)C1 64220 [0,1,0,1,0,0|1,0,1]=4 272 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,1,0,1,0,0|1,0,1]=4 273 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [0,1,0,1,0,0|1,0,1]=4 274 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [0,1,0,1,0,0|1,0,1]=4 275 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,1,0,1,0,0|1,0,0]=3 276 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,1,0,1,0,0|1,0,0]=3 277 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [0,1,0,1,0,0|1,0,1]=4 278 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [0,1,0,1,0,0|1,0,1]=4 279 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,1,0,1,0,0|2,0,0]=4 280 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,1,0,1,0,0|2,0,0]=4 281 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.2 C[C@H]1COC(=O)O1 D77722 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.2 NC1=CC(=O)CC1 90005 [0,1,0,1,0,0|1,0,1]=4 284 B7R1.2 O=C1C=C(Br)CC1 W19329 [0,1,0,1,0,0|1,0,1]=4 285 B7R1.2 O=C1C=C(I)CC1 A12694 [0,1,0,1,0,0|1,0,1]=4 286 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,1,0,1,0,0|1,0,1]=4 287 B7R1.2 O[C@@H]1C=C[C@H](O)C1 P10067 [0,1,0,1,0,0|1,0,0]=3 288 B7R1.3 CC1=CCNCC1 A11257 [0,1,0,1,0,0|0,0,2]=4 289 B7R1.3 C[C@H]1CCCCN1 C73894 [0,1,0,1,0,0|0,0,2]=4 290 B7R1.3 C[C@H]1CCCNC1 36405 [0,1,0,1,0,0|0,0,2]=4 291 B7R1.3 C[C@H]1CNCCO1 24564 [0,1,0,1,0,0|1,0,1]=4 292 B7R1.3 C[C@H]1CNCCO1 27729 [0,1,0,1,0,0|1,0,1]=4 293 B7R1.3 C[C@H]1CNCCO1 F13460 [0,1,0,1,0,0|1,0,1]=4 294 B7R1.3 C[C@H]1CNCCO1 P11013 [0,1,0,1,0,0|1,0,1]=4 295 B7R1.3 C[C@H]1COCCN1 72593 [0,1,0,1,0,0|1,0,1]=4 296 B7R1.3 N[C@@H]1C=CCCC1 D84435 [0,1,0,1,0,0|1,0,0]=3 297 B7R1.3 O=C1C=CCCN1 88830 [0,1,0,1,0,0|1,0,1]=4 298 B7R1.3 O=C1C=CCOC1 O10790 [0,1,0,1,0,0|1,0,1]=4 299 B7R1.3 O[C@@H]1C=CCNC1 S11183 [0,1,0,1,0,0|1,0,0]=3 300 B7R1.4 CC1=C(C)NC=C1 F20873 [0,1,0,1,0,0|1,0,1]=4 301 B7R1.4 CC1CNCC1C P18713 [0,1,0,1,0,0|1,0,1]=4 302 B7R1.4 CN1CCN=C1N W16176 [0,1,0,1,0,0|2,0,0]=4 303 B7R1.4 CN1CCNC1=O 81682 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,1,0,1,0,0|0,0,2]=4 305 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,1,0,1,0,0|0,0,2]=4 306 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [0,1,0,1,0,0|1,0,1]=4 307 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [0,1,0,1,0,0|1,0,1]=4 308 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,1,0,1,0,0|1,0,1]=4 309 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,1,0,1,0,0|0,0,2]=4 310 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,1,0,1,0,0|1,0,1]=4 311 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,1,0,1,0,0|1,0,1]=4 312 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,1,0,1,0,0|1,0,1]=4 313 B7R1.4 N[C@H]1CCNC1=O 51276 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.4 N[C@H]1CCNC1=O 51277 [0,1,0,1,0,0|2,0,0]=4 315 B7R1.4 N[C@H]1CCNC1=O 51278 [0,1,0,1,0,0|2,0,0]=4 316 B7R1.4 N[C@H]1CCNC1=O F14678 [0,1,0,1,0,0|2,0,0]=4 317 B7R1.4 N[C@H]1CCSC1=O O10218 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.4 O=C1NCC[C@@H]1Br 78555 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.4 O[C@H]1CCC=C1Br D79898 [0,1,0,1,0,0|1,0,0]=3 321 B7R1.6 C=CCC1CNC1 P14594 [0,1,0,1,0,0|0,0,2]=4 322 B7R1.6 CCNC1CCC1 W19308 [0,1,0,1,0,0|1,0,1]=4 323 B7R1.6 CCNC1COC1 32797 [0,1,0,1,0,0|1,0,1]=4 324 B7R1.6 CCOC1CNC1 C16603 [0,1,0,1,0,0|1,0,1]=4 325 B7R1.6 CNCC1COC1 32854 [0,1,0,1,0,0|1,0,1]=4 326 B7R1.6 CNC[C@H]1CCO1 D96714 [0,1,0,1,0,0|1,0,1]=4 327 B7R1.6 COCC1CNC1 36064 [0,1,0,1,0,0|1,0,1]=4 328 B7R1.6 COCC1CNC1 37073 [0,1,0,1,0,0|1,0,1]=4 329 B7R1.6 COC[C@H]1CCN1 38829 [0,1,0,1,0,0|1,0,1]=4 330 B7R1.6 COC[C@H]1CCN1 P15803 [0,1,0,1,0,0|1,0,1]=4 331 B7R1.6 O=CCC1CCC1 55432 [0,1,0,1,0,0|1,0,1]=4 332 B7R1.6 O=CCC1COC1 CS2316 [0,1,0,1,0,0|1,0,1]=4 333 B7R1.10 C=C1CC(CO)C1 D79070 [0,1,0,1,0,0|0,0,2]=4 334 B7R1.10 CC1CC(CN)C1 72944 [0,1,0,1,0,0|0,0,2]=4 335 B7R1.10 CN1CC(CN)C1 37075 [0,1,0,1,0,0|1,0,1]=4 336 B7R1.10 CN1CC(CO)C1 P17862 [0,1,0,1,0,0|1,0,1]=4 337 B7R1.10 CNC1CC(C)C1 72947 [0,1,0,1,0,0|0,0,2]=4 338 B7R1.10 CNC1CN(C)C1 38831 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.10 COC1CC(=O)C1 P12741 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.10 O=C1CC(CBr)C1 39031 [0,1,0,1,0,0|1,0,1]=4 341 B7R1.10 O=C1CC(CCl)C1 P11243 [0,1,0,1,0,0|1,0,1]=4 342 B7R1.10 O=C1C[C@H](CO)N1 P17668 [0,1,0,1,0,0|2,0,0]=4 343 B7R1.21 CCOC1(O)CC1 O10402 [0,1,0,1,0,0|1,0,1]=4 344 B7R1.22 CNC(=O)C1CC1 F14269 [0,1,0,1,0,0|1,0,0]=3 345 B7R1.22 O=C(CO)C1CC1 E72699 [0,1,0,1,0,0|1,0,1]=4 346 B7R1.25 CC1(CF)CNC1 D79152 [0,1,0,1,0,0|1,0,1]=4 347 B7R1.25 CC1(CN)CNC1 80498 [0,1,0,1,0,0|1,0,1]=4 348 B7R1.25 CC1(CO)CCC1 90942 [0,1,0,1,0,0|0,0,2]=4 349 B7R1.25 CC1(CO)CNC1 73126 [0,1,0,1,0,0|1,0,1]=4 350 B7R1.25 CCC1(C)CNC1 D79218 [0,1,0,1,0,0|1,0,1]=4 351 B7R1.25 CNC1(C)COC1 39042 [0,1,0,1,0,0|1,0,1]=4 352 B7R1.25 C[C@]1(CN)CCO1 D79679 [0,1,0,1,0,0|1,0,1]=4 353 B7R1.25 C[C@]1(CN)CCO1 P20357 [0,1,0,1,0,0|1,0,1]=4 354 B7R1.25 C[C@]1(CO)CCN1 P18401 [0,1,0,1,0,0|1,0,1]=4 355 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [0,1,0,1,0,0|1,0,1]=4 356 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [0,1,0,1,0,0|1,0,1]=4 357 B7R1.16 CC1(C)CC(=O)C1 P13045 [0,1,0,1,0,0|0,0,1]=3 358 B7R1.16 CC1(C)CC(=O)N1 D72853 [0,1,0,1,0,0|1,0,0]=3 359 B7R1.16 CC1(C)CC(N)C1 P15356 [0,1,0,1,0,0|0,0,2]=4 360 B7R1.16 CC1(C)CC(O)C1 P16551 [0,1,0,1,0,0|0,0,2]=4 361 B7R1.16 CC1(N)CC(=O)C1 P17533 [0,1,0,1,0,0|1,0,1]=4 362 B7R1.20 C[C@H](O)CC1CC1 79072 [0,1,0,1,0,0|0,0,2]=4 363 B7R1.20 O=C(Cl)CC1CC1 P19146 [0,1,0,1,0,0|1,0,1]=4 364 B7R1.17 CC1(C)CC[C@@H]1N AT10475 [0,1,0,1,0,0|0,0,2]=4 365 B7R1.18 CC(C)C1CNC1 D79219 [0,1,0,1,0,0|0,0,2]=4 366 B7R1.19 CC(C)C1(O)CC1 P17163 [0,1,0,1,0,0|0,0,2]=4 367 B7R1.7 BrCC#CC1CC1 32689 [0,1,0,1,0,0|0,0,2]=4 368 B7R1.7 OCCCC1CC1 F52480 [0,1,0,1,0,0|0,0,2]=4 369 B7R1.14 CC1(Br)CCCC1 P19649 [0,1,0,1,0,0|0,0,2]=4 370 B7R1.14 CC1(C)CCCN1 71736 [0,1,0,1,0,0|0,0,2]=4 371 B7R1.14 CC1(C)CCCN1 71895 [0,1,0,1,0,0|0,0,2]=4 372 B7R1.14 CC1(C)CCNC1 28371 [0,1,0,1,0,0|0,0,2]=4 373 B7R1.14 CC1(C)COCN1 FD10630 [0,1,0,1,0,0|1,0,1]=4 374 B7R1.14 CC1(N)CCCC1 90423 [0,1,0,1,0,0|0,0,2]=4 375 B7R1.14 C[C@]1(F)CCNC1 P15373 [0,1,0,1,0,0|1,0,1]=4 376 B7R1.14 C[C@]1(N)CCOC1 38927 [0,1,0,1,0,0|1,0,1]=4 377 B7R1.14 C[C@]1(O)CCNC1 D96498 [0,1,0,1,0,0|1,0,1]=4 378 B7R1.14 C[C@]1(O)CCOC1 69114 [0,1,0,1,0,0|1,0,1]=4 379 B7R1.26 CC(C)(N)C1CC1 72848 [0,1,0,1,0,0|0,0,2]=4 380 B7R1.26 CC(C)(O)C1CC1 78550 [0,1,0,1,0,0|0,0,2]=4 381 B7R2.11 C1NC2CC1C2 37897 [0,0,0,2,0,0|1,0,1]=4 382 B7R2.13 C1CC2CC2N1 33368 [0,0,0,2,0,0|1,0,1]=4 383 B7R2.13 C1NCC2CC12 80426 [0,0,0,2,0,0|1,0,1]=4 384 B7R2.16 C1CC12CNC2 87106 [0,0,0,2,0,0|1,0,1]=4