0 B5R0.1 C=C(C)CON F31248 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CCC[C@H](C)N P14575 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 CCC[C@H](C)N Y10887 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CCOC(N)=S A11227 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.1 CN(C)CC=O D88083 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.1 CN(C)CCO D93012 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.1 C[C@H](O)CCN 83616 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.1 C[S+](C)CCCl 77752 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 C\C(I)=C/CI AC8880 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.1 C\C(I)=C\CI AC3855 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.1 O=C(O)\C=C\Br AC1121 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 O=C(O)\C=C\I W15430 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 OCCC(F)F P18054 [0,0,0,0,0,0|2,0,2]=4 13 B4R0.1 C=C[C@H](C)N 81150 [1,0,0,0,0,0|1,0,2]=4 14 B4R0.1 C=C[C@H](C)N C77628 [1,0,0,0,0,0|1,0,2]=4 15 B4R0.1 C=C[C@H](C)N N11410 [1,0,0,0,0,0|1,0,2]=4 16 B4R0.1 CC(=N)NN C74999 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 CC(C)CBr P19652 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 CC[C@H](C)N 74047 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 C[C@H](Br)CN F11189 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 C[C@H](Br)CO W17591 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.1 C[C@H](Cl)CN Y14715 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 C[C@H](N)CF AC1136 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 C[C@H](N)CF AC6177 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 C\C=C(\C)Br D93160 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 N=C(N)CO 20678 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 NCC(=O)O A10882 [1,0,0,0,0,0|3,0,0]=4 27 B4R0.1 NCC(=O)O T72551 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.1 O=C([O-])C[O-] 47204 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 C=C\C=C/C T71862 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.2 CCCCN T70838 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.2 CCONC AT14498 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.2 COCCI A50601 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.2 CSCCN D73275 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.2 N\C=C\C=O W10858 [1,0,0,0,0,0|1,0,2]=4 35 B4R0.2 OCCCO D77845 [1,0,0,0,0,0|1,0,2]=4 36 B4R0.2 OCCCS D78398 [1,0,0,0,0,0|1,0,2]=4 37 B6R0.1 C=C=CC(=O)OC F20885 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.1 CCNC(=O)CO 79517 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.1 CCO[C@@H](C)CO 91003 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.1 CC[C@H](S)CCO D84734 [0,1,0,0,0,0|1,0,2]=4 41 B6R0.1 CNC(=O)CCN C75423 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.1 CNC(=O)CCO AC6610 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.1 CNC(=O)CCS A11187 [0,1,0,0,0,0|1,1,1]=4 44 B6R0.1 COC(=O)OCCl R10013 [0,1,0,0,0,0|3,0,0]=4 45 B6R0.1 COC(=O)\C=C\I C10406 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.1 NNC(=O)CCO C77491 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.1 N[C@H](CO)CCO AB10026 [0,1,0,0,0,0|1,0,2]=4 48 B6R0.1 N[C@H](CO)CCO AB10027 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [0,1,0,0,0,0|1,0,2]=4 50 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [0,1,0,0,0,0|1,0,2]=4 51 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.2 C[C@H](N)CN(C)C 76720 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.2 C[C@H](O)CC(=O)O C10552 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.2 C[C@H](O)CN(C)C A11394 [0,1,0,0,0,0|1,0,1]=3 56 B6R0.3 C=C(CBr)C(=O)O 74879 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.3 CC(C)C(=O)CCl D94573 [0,1,0,0,0,0|1,0,1]=3 58 B6R0.3 CC(C)[C@@H](C)CO D93394 [0,1,0,0,0,0|0,0,2]=3 59 B6R0.3 CCN(C)C(C)=O F19909 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.3 CN(C)C(=O)CN FD21613 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.3 COC(=O)N(C)C D93880 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.3 CSC(=S)N(C)C D93298 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.3 NC(=O)[C@@H](N)CO D75098 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.3 O=C(O)[C@@H](Br)CO A10085 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.3 O=C(O)[C@@H](Br)CO AB19244 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.4 C#CCNC(C)=O 78861 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.4 C#CCOC(C)C 79308 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.4 C=C(C)CCCBr 71968 [0,1,0,0,0,0|1,0,2]=4 70 B6R0.4 CC(=O)CCC=O P17049 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.4 CC(=O)CCCBr 25631 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.4 CC(=O)OCCN W11955 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.4 CC(C)CCC=O 31143 [0,1,0,0,0,0|0,0,3]=4 74 B6R0.4 CC(C)OCCBr 33996 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.4 CC(C)OCCN T71353 [0,1,0,0,0,0|1,0,2]=4 76 B6R0.4 COC=CC(=O)O D97266 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.4 NC(=O)OCCO A11395 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.4 O=C(O)\C=C\CCl 11303 [0,1,0,0,0,0|3,0,0]=4 79 B6R0.4 O=C([O-])CNCO F20522 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.5 CC(C)(C)C=NO AR2360 [0,1,0,0,0,0|1,0,1]=3 81 B6R0.5 CC(C)(C)CCI D86336 [0,1,0,0,0,0|1,0,2]=4 82 B6R0.5 CC(C)(F)CCN W17442 [0,1,0,0,0,0|1,0,2]=4 83 B6R0.5 CC(C)(O)CCN A51232 [0,1,0,0,0,0|1,0,2]=4 84 B6R0.5 C[Si](C)(C)CCS 74594 [0,1,0,0,0,0|0,2,1]=4 85 B6R0.5 C[Si](C)(C)\C=C\I 12266 [0,1,0,0,0,0|1,1,1]=4 86 B6R1.2 C=C1CCNC1 F13598 [0,0,0,1,0,0|1,0,2]=4 87 B6R1.2 CC1=CC=CN1 23756 [0,0,0,1,0,0|2,0,1]=4 88 B6R1.2 CC1=CNC=C1 59365 [0,0,0,1,0,0|1,0,2]=4 89 B6R1.2 CC1=CNN=C1 AT22811 [0,0,0,1,0,0|2,0,1]=4 90 B6R1.2 CC1=CNN=N1 27289 [0,0,0,1,0,0|3,0,0]=4 91 B6R1.2 CC1=COC=C1 W18310 [0,0,0,1,0,0|0,0,2]=3 92 B6R1.2 CC1=NNN=C1 D94600 [0,0,0,1,0,0|3,0,0]=4 93 B6R1.2 CC1=NOC=C1 35767 [0,0,0,1,0,0|1,0,1]=3 94 B6R1.2 C[C@H]1CCNC1 69327 [0,0,0,1,0,0|1,0,2]=4 95 B6R1.2 C[C@H]1CCSC1 70016 [0,0,0,1,0,0|0,1,2]=4 96 B6R1.2 Cl[C@H]1CCOC1 N12419 [0,0,0,1,0,0|1,0,2]=4 97 B6R1.2 IC1=COCC1 P19286 [0,0,0,1,0,0|1,0,2]=4 98 B6R1.2 I[C@H]1CCOC1 37310 [0,0,0,1,0,0|1,0,2]=4 99 B6R1.2 I[C@H]1CCOC1 37311 [0,0,0,1,0,0|1,0,2]=4 100 B6R1.2 NC1=CON=C1 F14139 [0,0,0,1,0,0|2,0,1]=4 101 B6R1.2 O=C1CNCN1 25530 [0,0,0,1,0,0|3,0,0]=4 102 B6R1.2 OC1=NOC=C1 W15437 [0,0,0,1,0,0|2,0,1]=4 103 B6R1.3 BrCCC1CC1 32177 [0,0,0,1,0,0|1,0,2]=4 104 B6R1.3 ICCC1CC1 73383 [0,0,0,1,0,0|1,0,2]=4 105 B6R1.5 CC1CC(=O)C1 P12177 [0,0,0,1,0,0|2,0,1]=4 106 B6R1.5 CC1CC(N)C1 72358 [0,0,0,1,0,0|1,0,2]=4 107 B6R1.5 CN1CC(Cl)C1 P18477 [0,0,0,1,0,0|2,0,1]=4 108 B6R1.5 CN1CC(N)C1 37022 [0,0,0,1,0,0|2,0,1]=4 109 B6R1.5 CN1CC(O)C1 37023 [0,0,0,1,0,0|1,0,1]=3 110 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [0,0,0,1,0,0|3,0,0]=4 111 B6R1.5 C[C@H]1C[C@@H](N)C1 P18428 [0,0,0,1,0,0|1,0,2]=4 112 B6R1.5 C[C@H]1C[C@H](N)C1 D79129 [0,0,0,1,0,0|1,0,2]=4 113 B6R1.5 NN1CC(O)C1 P15912 [0,0,0,1,0,0|2,0,1]=4 114 B6R1.5 N[C@H]1C[C@H](O)C1 31135 [0,0,0,1,0,0|1,0,2]=4 115 B6R1.5 O=C1CC(O)C1 P12929 [0,0,0,1,0,0|1,0,1]=3 116 B6R1.5 OC1CC(F)C1 80872 [0,0,0,1,0,0|1,0,2]=4 117 B6R1.5 OC1CC(O)C1 P18335 [0,0,0,1,0,0|1,0,2]=4 118 B6R1.5 O[C@H]1C[C@@H](O)C1 P20298 [0,0,0,1,0,0|1,0,2]=4 119 B6R1.5 O[C@H]1C[C@H](F)C1 38850 [0,0,0,1,0,0|1,0,2]=4 120 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [0,0,0,1,0,0|0,0,2]=3 121 B6R1.8 OC[C@H]1C[C@@H]1F CS3459 [0,0,0,1,0,0|1,0,2]=4 122 B6R1.9 CC1(C)C[C@@H]1N 69330 [0,0,0,1,0,0|1,0,2]=4 123 B6R1.11 O=C([O-])[C@@H]1CO1 50549 [0,0,0,1,0,0|2,0,1]=4 124 B6R1.11 O=C([O-])[C@@H]1CO1 50593 [0,0,0,1,0,0|2,0,1]=4 125 B3R0.1 C[Se][Se]C H10908 [2,0,0,0,0,0|2,0,0]=4 126 B3R0.2 CC(=O)[O-] AC2626 [2,0,0,0,0,0|1,0,1]=4 127 B3R0.2 CC(=O)[O-] D70195 [2,0,0,0,0,0|1,0,1]=4 128 B3R0.2 CC(=O)[O-] I11566 [2,0,0,0,0,0|1,0,1]=4 129 B3R0.2 C[13C](=O)O 41422 [2,0,0,0,0,0|1,0,0]=3 130 B3R0.2 C[S+](C)C AC2631 [2,0,0,0,0,0|1,0,0]=3 131 B3R0.2 [13CH3]C(=O)O 41421 [2,0,0,0,0,0|1,0,0]=3 132 B5R0.3 C=C(C#N)CO W19656 [1,1,0,0,0,0|0,0,2]=4 133 B5R0.3 CCC(=O)CN S11993 [1,1,0,0,0,0|1,0,1]=4 134 B5R0.3 CC[C@H](C)CN 88665 [1,1,0,0,0,0|0,0,2]=4 135 B5R0.3 CN[C@@H](C)CO AC8719 [1,1,0,0,0,0|0,0,1]=3 136 B5R0.3 CN[C@@H](C)CO C77593 [1,1,0,0,0,0|0,0,1]=3 137 B5R0.3 CN[C@@H](C)CO D80042 [1,1,0,0,0,0|0,0,1]=3 138 B5R0.3 CN[C@@H](C)CO D80344 [1,1,0,0,0,0|0,0,1]=3 139 B5R0.3 CN[C@@H](C)CO D82586 [1,1,0,0,0,0|0,0,1]=3 140 B5R0.3 COC(=S)SC Y14680 [1,1,0,0,0,0|2,0,0]=4 141 B5R0.3 CO[C@@H](C)CN 91001 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.3 CO[C@@H](C)CO 91002 [1,1,0,0,0,0|0,0,1]=3 143 B5R0.3 C[C@@H](CN)CCl 72948 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.3 C[C@@H](CO)CBr AB3182 [1,1,0,0,0,0|0,0,1]=3 145 B5R0.3 NC[C@H](F)CO 94841 [1,1,0,0,0,0|1,0,1]=4 146 B5R0.3 NC[C@H](F)CO 94845 [1,1,0,0,0,0|1,0,1]=4 147 B5R0.3 NC[C@H](F)CO 94846 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.3 OC[C@H](O)CF 65949 [1,1,0,0,0,0|1,0,1]=4 149 B5R0.3 OC[C@H](O)CF F14582 [1,1,0,0,0,0|1,0,1]=4 150 B5R0.4 CC(C)(Br)CN 55595 [1,1,0,0,0,0|1,0,1]=4 151 B5R0.4 CC(C)(C)NO 77598 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.4 CC(C)(Cl)CCl H11156 [1,1,0,0,0,0|1,0,1]=4 153 B5R0.4 CC(C)(F)CBr 29918 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.4 CC(C)(F)CO P17817 [1,1,0,0,0,0|0,0,1]=3 155 B5R0.4 CC(C)(O)CBr A11164 [1,1,0,0,0,0|1,0,1]=4 156 B5R0.5 CC(=O)C(N)=S 93979 [1,1,0,0,0,0|1,1,0]=4 157 B5R0.5 CC(=O)[C@H](C)N D76571 [1,1,0,0,0,0|1,0,1]=4 158 B5R0.5 CC(=S)N(C)C 76921 [1,1,0,0,0,0|1,0,0]=3 159 B5R0.5 CN(C)C(=N)N 71417 [1,1,0,0,0,0|2,0,0]=4 160 B5R0.5 C[C@H](O)C(=N)N 71516 [1,1,0,0,0,0|2,0,0]=4 161 B5R0.5 C[C@H](O)[C@H](C)O C91323 [1,1,0,0,0,0|1,0,1]=4 162 B5R0.2 CCCCON 31644 [1,1,0,0,0,0|0,0,2]=4 163 B5R0.2 COCCCO D77912 [1,1,0,0,0,0|0,0,2]=4 164 B5R0.2 NC\C=C\CN E70437 [1,1,0,0,0,0|1,0,0]=3 165 B5R0.2 O=CCCCO 55817 [1,1,0,0,0,0|1,0,1]=4 166 B7R0.2 C=C[C@@H](O)CC(C)C A12558 [0,2,0,0,0,0|0,0,2]=4 167 B7R0.2 CC(C)NC(=O)CBr A12824 [0,2,0,0,0,0|1,0,1]=4 168 B7R0.2 CC(C)NC(=O)CI A11046 [0,2,0,0,0,0|1,0,1]=4 169 B7R0.2 CC(C)OC(=O)CN FD21588 [0,2,0,0,0,0|1,0,1]=4 170 B7R0.2 CN(C)C[C@H](O)CO D95190 [0,2,0,0,0,0|1,0,1]=4 171 B7R0.2 COC(C)CC(C)O 78061 [0,2,0,0,0,0|0,0,2]=4 172 B7R0.2 CO\C(C)=C/C(C)=O D93418 [0,2,0,0,0,0|0,0,2]=4 173 B7R0.3 C=C(CCl)OCOC P10081 [0,2,0,0,0,0|1,0,1]=4 174 B7R0.3 CCC(=O)OCCO A11774 [0,2,0,0,0,0|1,0,1]=4 175 B7R0.3 COC(=O)C#CCO AB7534 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.3 COC(=O)\C=C\CCl AT12623 [0,2,0,0,0,0|2,0,0]=4 177 B7R0.3 COC(=O)\C=C\CN AT20770 [0,2,0,0,0,0|2,0,0]=4 178 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [0,2,0,0,0,0|1,0,1]=4 179 B7R0.7 CN(CCO)CCO A10780 [0,2,0,0,0,0|1,0,1]=4 180 B7R0.10 C=C(CCl)C(=O)OC 36746 [0,2,0,0,0,0|2,0,0]=4 181 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [0,2,0,0,0,0|0,0,2]=4 182 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [0,2,0,0,0,0|1,0,1]=4 183 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [0,2,0,0,0,0|1,0,1]=4 184 B7R0.11 CC(C)(CO)CCO W16131 [0,2,0,0,0,0|0,0,2]=4 185 B7R0.11 C[N+](C)(CF)CCO W18955 [0,2,0,0,0,0|1,0,1]=4 186 B7R0.11 C[N+](C)(CI)CCO F11952 [0,2,0,0,0,0|1,0,1]=4 187 B7R0.13 CC(=O)C(C)(C)CO Y13534 [0,2,0,0,0,0|1,0,1]=4 188 B7R0.14 CC(C)(C)C(=N)NO W12576 [0,2,0,0,0,0|1,0,1]=4 189 B7R0.14 CC(C)(C)C(=O)CN F11054 [0,2,0,0,0,0|1,0,1]=4 190 B7R0.14 CC(C)(C)C(=O)CO F50563 [0,2,0,0,0,0|0,0,1]=3 191 B7R0.14 CC(C)(C)[C@@H](N)CO 39285 [0,2,0,0,0,0|0,0,2]=4 192 B7R0.14 CC(C)(O)C(=N)NO F18387 [0,2,0,0,0,0|1,0,1]=4 193 B7R0.15 CC(C)C(CO)CO 73803 [0,2,0,0,0,0|0,0,2]=4 194 B7R0.15 CC[C@@H](CO)C(C)C C74656 [0,2,0,0,0,0|0,0,2]=4 195 B7R0.6 CC(C)=CCC(=O)O 24307 [0,2,0,0,0,0|0,0,0]=2 196 B7R0.6 C[S+](C)CCC(=O)O T70554 [0,2,0,0,0,0|1,0,1]=4 197 B7R0.8 CC(C)(O)CCCO AB7595 [0,2,0,0,0,0|0,0,2]=4 198 B7R0.8 C[Si](C)(C)CCON C14911 [0,2,0,0,0,0|0,1,1]=4 199 B7R0.8 C[Si](C)(C)\C=C\CO A12674 [0,2,0,0,0,0|0,1,0]=3 200 B5R1.2 C=C1COC1 P17999 [1,0,0,1,0,0|0,0,1]=3 201 B5R1.2 C[C@H]1CCN1 98100 [1,0,0,1,0,0|1,0,1]=4 202 B5R1.2 C[C@H]1CCN1 P21034 [1,0,0,1,0,0|1,0,1]=4 203 B5R1.2 ClC1COC1 CS1986 [1,0,0,1,0,0|1,0,1]=4 204 B5R1.2 SC1COC1 32902 [1,0,0,1,0,0|1,0,1]=4 205 B5R1.3 ICC1CC1 P19124 [1,0,0,1,0,0|1,0,1]=4 206 B5R1.4 CC1CC1N 72192 [1,0,0,1,0,0|1,0,1]=4 207 B5R1.4 CC1CC1N 72742 [1,0,0,1,0,0|1,0,1]=4 208 B5R1.4 N[C@@H]1C[C@@H]1O C93526 [1,0,0,1,0,0|1,0,1]=4 209 B5R1.5 CC1(C)CN1 56316 [1,0,0,1,0,0|1,0,1]=4 210 B5R1.1 C1=CCSC1 F20684 [1,0,0,1,0,0|0,1,0]=3 211 B5R1.1 C1COCN1 A51210 [1,0,0,1,0,0|1,0,1]=4 212 B7R1.1 BrCC1=CCCC1 37275 [0,1,0,1,0,0|1,0,0]=3 213 B7R1.1 BrCC1=CON=C1 95088 [0,1,0,1,0,0|1,0,1]=4 214 B7R1.1 BrCC1=NOC=C1 71749 [0,1,0,1,0,0|1,0,1]=4 215 B7R1.1 BrC[C@H]1CCOC1 84096 [0,1,0,1,0,0|0,0,2]=4 216 B7R1.1 CNC1=NOC=C1 72015 [0,1,0,1,0,0|1,0,1]=4 217 B7R1.1 CNC1=NOC=C1 72539 [0,1,0,1,0,0|1,0,1]=4 218 B7R1.1 CN[C@H]1CCOC1 P18534 [0,1,0,1,0,0|0,0,2]=4 219 B7R1.1 CN[C@H]1CCOC1 P18535 [0,1,0,1,0,0|0,0,2]=4 220 B7R1.1 COC1=CCCC1 D93350 [0,1,0,1,0,0|1,0,0]=3 221 B7R1.1 ClCC1=NOC=C1 F13567 [0,1,0,1,0,0|1,0,1]=4 222 B7R1.1 NCC1=CON=C1 55763 [0,1,0,1,0,0|1,0,1]=4 223 B7R1.1 NCC1=NOC=C1 W10075 [0,1,0,1,0,0|1,0,1]=4 224 B7R1.1 NC[C@H]1CCOC1 37316 [0,1,0,1,0,0|0,0,2]=4 225 B7R1.1 NC[C@H]1CCOC1 68891 [0,1,0,1,0,0|0,0,2]=4 226 B7R1.1 NC[C@H]1CCOC1 P12031 [0,1,0,1,0,0|0,0,2]=4 227 B7R1.1 O=CC1=CCCC1 26227 [0,1,0,1,0,0|1,0,1]=4 228 B7R1.1 OCC1=CON=C1 73633 [0,1,0,1,0,0|1,0,1]=4 229 B7R1.1 OC[C@H]1CCOC1 37313 [0,1,0,1,0,0|0,0,2]=4 230 B7R1.1 OC[C@H]1CCOC1 37314 [0,1,0,1,0,0|0,0,2]=4 231 B7R1.2 CC1=CC(=O)CO1 Y10351 [0,1,0,1,0,0|0,0,2]=4 232 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [0,1,0,1,0,0|0,0,2]=4 233 B7R1.2 O=C1C=C(Br)CO1 W10959 [0,1,0,1,0,0|1,0,1]=4 234 B7R1.2 O=C1C=C(O)CO1 F21287 [0,1,0,1,0,0|1,0,1]=4 235 B7R1.2 O=C1C=C[C@@H](O)O1 F11119 [0,1,0,1,0,0|2,0,0]=4 236 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,1,0,1,0,0|1,0,1]=4 237 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,1,0,1,0,0|1,0,1]=4 238 B7R1.2 O[C@@H]1C=C[C@H](O)C1 P10067 [0,1,0,1,0,0|1,0,1]=4 239 B7R1.3 BrC1=CCCNC1 D97153 [0,1,0,1,0,0|2,0,0]=4 240 B7R1.3 BrC1=CCOCC1 C90119 [0,1,0,1,0,0|1,0,0]=3 241 B7R1.3 C=C1CCOCC1 84295 [0,1,0,1,0,0|0,0,2]=4 242 B7R1.3 CC1=CCNCC1 A11257 [0,1,0,1,0,0|1,0,0]=3 243 B7R1.3 C[C@H]1COCCN1 72593 [0,1,0,1,0,0|0,0,2]=4 244 B7R1.3 FC1=CCNCC1 P20375 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.3 O=C1C=CCOC1 O10790 [0,1,0,1,0,0|1,0,0]=3 246 B7R1.4 BrC1=C(Br)CCC1 79351 [0,1,0,1,0,0|2,0,0]=4 247 B7R1.4 CC1=C(Br)C=NO1 F19689 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.4 CC1=C(C)NC=C1 F20873 [0,1,0,1,0,0|1,0,1]=4 249 B7R1.4 CC1=C(N)C=NO1 D82481 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.4 CC1=C(N)ON=C1 C74807 [0,1,0,1,0,0|1,0,1]=4 251 B7R1.4 CC1=CCOC1=O T72100 [0,1,0,1,0,0|0,0,1]=3 252 B7R1.4 CC1=CON=C1N 72247 [0,1,0,1,0,0|1,0,1]=4 253 B7R1.4 CC1=NOC=C1N O11036 [0,1,0,1,0,0|1,0,1]=4 254 B7R1.4 CC1=NON=C1N F14552 [0,1,0,1,0,0|2,0,0]=4 255 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,1,0,1,0,0|0,0,2]=4 256 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,1,0,1,0,0|0,0,2]=4 257 B7R1.4 O[C@H]1CCC=C1Br D79898 [0,1,0,1,0,0|2,0,0]=4 258 B7R1.6 N#CC=C1CCC1 P11568 [0,1,0,1,0,0|1,0,1]=4 259 B7R1.6 N#CC=C1CNC1 C11489 [0,1,0,1,0,0|1,0,1]=4 260 B7R1.6 OCCC1CCC1 32129 [0,1,0,1,0,0|0,0,2]=4 261 B7R1.6 OCCC1CNC1 P16512 [0,1,0,1,0,0|0,0,2]=4 262 B7R1.6 OCCC1COC1 32759 [0,1,0,1,0,0|0,0,2]=4 263 B7R1.6 OCCN1CCC1 70839 [0,1,0,1,0,0|1,0,1]=4 264 B7R1.6 OCC[C@H]1CCO1 P17680 [0,1,0,1,0,0|0,0,2]=4 265 B7R1.8 CN1CC[C@@H]1CO 63438 [0,1,0,1,0,0|1,0,1]=4 266 B7R1.8 CN1CC[C@@H]1CO AT17142 [0,1,0,1,0,0|1,0,1]=4 267 B7R1.8 CN1CC[C@@H]1CO P18351 [0,1,0,1,0,0|1,0,1]=4 268 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,1,0,1,0,0|1,0,1]=4 269 B7R1.9 NCC1CC1CO C14991 [0,1,0,1,0,0|0,0,2]=4 270 B7R1.9 OC[C@H]1C[C@H]1CO P16470 [0,1,0,1,0,0|0,0,2]=4 271 B7R1.10 C=C1CC(CO)C1 D79070 [0,1,0,1,0,0|0,0,2]=4 272 B7R1.10 CN1CC(CO)C1 P17862 [0,1,0,1,0,0|1,0,1]=4 273 B7R1.10 CNC1CC(O)C1 37731 [0,1,0,1,0,0|0,0,2]=4 274 B7R1.10 CN[C@H]1C[C@@H](O)C1 P13897 [0,1,0,1,0,0|0,0,2]=4 275 B7R1.10 CN[C@H]1C[C@H](O)C1 38892 [0,1,0,1,0,0|0,0,2]=4 276 B7R1.10 COC1CC(=O)C1 P12741 [0,1,0,1,0,0|1,0,1]=4 277 B7R1.10 COC1CC(O)C1 R10063 [0,1,0,1,0,0|0,0,2]=4 278 B7R1.10 NCC1CC(O)C1 37219 [0,1,0,1,0,0|0,0,2]=4 279 B7R1.10 NC[C@H]1C[C@H](O)C1 37659 [0,1,0,1,0,0|0,0,2]=4 280 B7R1.10 O=C1C[C@H](CO)N1 P17668 [0,1,0,1,0,0|1,0,1]=4 281 B7R1.10 OCC1CC(O)C1 N10548 [0,1,0,1,0,0|0,0,2]=4 282 B7R1.10 O[C@H]1C[C@@H](CF)C1 P21066 [0,1,0,1,0,0|0,0,2]=4 283 B7R1.21 CC1(CCO)CC1 P14058 [0,1,0,1,0,0|0,0,2]=4 284 B7R1.22 N[C@@H](CO)C1CC1 N11217 [0,1,0,1,0,0|0,0,2]=4 285 B7R1.22 N[C@@H](CO)C1CC1 P18914 [0,1,0,1,0,0|0,0,2]=4 286 B7R1.22 N[C@@H](CO)C1CC1 Y14567 [0,1,0,1,0,0|0,0,2]=4 287 B7R1.22 O=C(CO)C1CC1 E72699 [0,1,0,1,0,0|0,0,1]=3 288 B7R1.25 C[C@]1(CN)CCO1 D79679 [0,1,0,1,0,0|0,0,2]=4 289 B7R1.25 C[C@]1(CN)CCO1 P20357 [0,1,0,1,0,0|0,0,2]=4 290 B7R1.16 CC1(C)CC(O)C1 P16551 [0,1,0,1,0,0|0,0,2]=4 291 B7R1.16 CC1(N)CC(O)C1 38885 [0,1,0,1,0,0|0,0,2]=4 292 B7R1.16 C[C@]1(N)C[C@@H](O)C1 P13531 [0,1,0,1,0,0|0,0,2]=4 293 B7R1.16 C[C@]1(N)C[C@H](O)C1 38886 [0,1,0,1,0,0|0,0,2]=4 294 B7R1.20 C[C@H](O)CC1CC1 79072 [0,1,0,1,0,0|0,0,2]=4 295 B7R1.18 CC(=O)C1COC1 79962 [0,1,0,1,0,0|1,0,1]=4 296 B7R1.7 OCCCC1CC1 F52480 [0,1,0,1,0,0|0,0,2]=4 297 B7R1.14 CC1(C)COCN1 FD10630 [0,1,0,1,0,0|1,0,1]=4 298 B7R1.14 C[C@]1(N)CCOC1 38927 [0,1,0,1,0,0|0,0,2]=4 299 B7R1.14 C[C@]1(O)CCOC1 69114 [0,1,0,1,0,0|0,0,2]=4