0 B4R0.2 BrCCCBr D77913 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.2 BrCOCBr AC2225 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.2 C#CCCCl C77663 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.2 C#CCCI AC1965 [0,0,0,0,0,0|1,0,2]=3 4 B4R0.2 C#CCCN 31177 [0,0,0,0,0,0|0,0,2]=2 5 B4R0.2 C#CCCN 68194 [0,0,0,0,0,0|0,0,2]=2 6 B4R0.2 C=CCNN D79874 [0,0,0,0,0,0|1,0,2]=3 7 B4R0.2 C=C\C=C/C T71862 [0,0,0,0,0,0|1,0,3]=4 8 B4R0.2 CCCCN T70838 [0,0,0,0,0,0|0,0,0]=0 9 B4R0.2 CCONC AT14498 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.2 COCCI A50601 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.2 CSCCN D73275 [0,0,0,0,0,0|1,0,0]=1 12 B4R0.2 NCCCF 61303 [0,0,0,0,0,0|1,0,0]=1 13 B4R0.2 NCCCN T70045 [0,0,0,0,0,0|1,0,0]=1 14 B4R0.2 NCCCS A11074 [0,0,0,0,0,0|1,0,0]=1 15 B4R0.2 N\C=C\C=O W10858 [0,0,0,0,0,0|1,0,3]=4 16 B4R0.2 OCCCO D77845 [0,0,0,0,0,0|2,0,0]=2 17 B4R0.2 OCCCS D78398 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.2 SCCCBr 77989 [0,0,0,0,0,0|2,0,0]=2 19 B3R0.1 CCNN D79778 [1,0,0,0,0,0|1,0,0]=2 20 B3R0.1 CCON C13232 [1,0,0,0,0,0|1,0,0]=2 21 B3R0.1 C[Se][Se]C H10908 [1,0,0,0,0,0|2,0,0]=3 22 B3R0.1 ClCCI T71139 [1,0,0,0,0,0|2,0,0]=3 23 B3R0.1 NCCN A12036 [1,0,0,0,0,0|1,0,0]=2 24 B3R0.1 NCCN T72722 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.1 C=C(C)CON F31248 [0,1,0,0,0,0|1,0,1]=3 26 B5R0.1 C=CC[C@H](C)O 71459 [0,1,0,0,0,0|1,0,1]=3 27 B5R0.1 C=CC[C@H](C)O A12634 [0,1,0,0,0,0|1,0,1]=3 28 B5R0.1 CCC[C@H](C)N P14575 [0,1,0,0,0,0|0,0,0]=1 29 B5R0.1 CCC[C@H](C)N Y10887 [0,1,0,0,0,0|0,0,0]=1 30 B5R0.1 CCOC(N)=S A11227 [0,1,0,0,0,0|1,0,1]=3 31 B5R0.1 CN(C)CC=O D88083 [0,1,0,0,0,0|2,0,1]=4 32 B5R0.1 CN(C)CCO D93012 [0,1,0,0,0,0|2,0,0]=3 33 B5R0.1 CNCC(=O)[O-] F20742 [0,1,0,0,0,0|2,0,1]=4 34 B5R0.1 CNCC(F)F D86102 [0,1,0,0,0,0|2,0,0]=3 35 B5R0.1 CNC[C@H](C)O AC1157 [0,1,0,0,0,0|2,0,0]=3 36 B5R0.1 CNC[C@H](C)O N12528 [0,1,0,0,0,0|2,0,0]=3 37 B5R0.1 COC[C@H](C)Br 78860 [0,1,0,0,0,0|2,0,0]=3 38 B5R0.1 COC[C@H](C)N 25526 [0,1,0,0,0,0|1,0,0]=2 39 B5R0.1 COC[C@H](C)N D95458 [0,1,0,0,0,0|1,0,0]=2 40 B5R0.1 COC[C@H](C)N W17998 [0,1,0,0,0,0|1,0,0]=2 41 B5R0.1 C[C@H](N)CC#N 12486 [0,1,0,0,0,0|0,0,2]=3 42 B5R0.1 C[C@H](O)CC#N 87623 [0,1,0,0,0,0|0,0,2]=3 43 B5R0.1 C[C@H](O)CCN 83616 [0,1,0,0,0,0|0,0,0]=1 44 B5R0.1 C[C@H](O)CON O10313 [0,1,0,0,0,0|1,0,0]=2 45 B5R0.1 C[S+](C)CCCl 77752 [0,1,0,0,0,0|2,0,0]=3 46 B5R0.1 C\C(I)=C/CI AC8880 [0,1,0,0,0,0|1,0,2]=4 47 B5R0.1 C\C(I)=C\CI AC3855 [0,1,0,0,0,0|1,0,2]=4 48 B5R0.1 NCCC(F)F D77085 [0,1,0,0,0,0|1,0,0]=2 49 B5R0.1 OCCC(F)F P18054 [0,1,0,0,0,0|2,0,0]=3 50 B5R0.2 BrCC#CCBr 79581 [0,1,0,0,0,0|1,0,2]=4 51 B5R0.2 C#CCCC=C T71785 [0,1,0,0,0,0|1,0,2]=4 52 B5R0.2 C#CCCC=O 89357 [0,1,0,0,0,0|1,0,2]=4 53 B5R0.2 C#CCCCI C78094 [0,1,0,0,0,0|1,0,1]=3 54 B5R0.2 C#CCCCN 72839 [0,1,0,0,0,0|0,0,1]=2 55 B5R0.2 C#CCOCC C90311 [0,1,0,0,0,0|1,0,1]=3 56 B5R0.2 C=CCCNC W16107 [0,1,0,0,0,0|0,0,2]=3 57 B5R0.2 CCCCON 31644 [0,1,0,0,0,0|0,0,0]=1 58 B5R0.2 CNOCCN D97505 [0,1,0,0,0,0|1,0,0]=2 59 B5R0.2 COCCCO D77912 [0,1,0,0,0,0|1,0,0]=2 60 B5R0.2 NCCCCCl F19552 [0,1,0,0,0,0|0,0,0]=1 61 B5R0.2 NC\C=C\CN E70437 [0,1,0,0,0,0|0,0,2]=3 62 B5R0.2 NNCCCO AB9423 [0,1,0,0,0,0|1,0,0]=2 63 B5R0.2 O=CCCCO 55817 [0,1,0,0,0,0|1,0,1]=3 64 B5R0.3 C=C[C@@H](N)CO 52208 [0,1,0,0,0,0|1,0,2]=4 65 B5R0.3 C=C[C@@H](N)CO 52209 [0,1,0,0,0,0|1,0,2]=4 66 B5R0.3 C=C[C@@H](N)CO 52211 [0,1,0,0,0,0|1,0,2]=4 67 B5R0.3 C=C[C@@H](O)CO 56500 [0,1,0,0,0,0|1,0,2]=4 68 B5R0.3 C=C[C@H](C)ON F31247 [0,1,0,0,0,0|1,0,2]=4 69 B5R0.3 CCC(=O)CN S11993 [0,1,0,0,0,0|0,0,1]=2 70 B5R0.3 CC[C@H](C)CN 88665 [0,1,0,0,0,0|0,0,0]=1 71 B5R0.3 CC[C@H](N)C#N 98383 [0,1,0,0,0,0|0,0,2]=3 72 B5R0.3 CC[PH](=O)CC C77650 [0,1,0,0,0,0|2,0,0]=3 73 B5R0.3 CN[C@@H](C)CO AC8719 [0,1,0,0,0,0|2,0,0]=3 74 B5R0.3 CN[C@@H](C)CO C77593 [0,1,0,0,0,0|2,0,0]=3 75 B5R0.3 CN[C@@H](C)CO D80042 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.3 CN[C@@H](C)CO D80344 [0,1,0,0,0,0|2,0,0]=3 77 B5R0.3 CN[C@@H](C)CO D82586 [0,1,0,0,0,0|2,0,0]=3 78 B5R0.3 COC(=S)NN Y13479 [0,1,0,0,0,0|2,0,1]=4 79 B5R0.3 CO[C@@H](C)CN 91001 [0,1,0,0,0,0|1,0,0]=2 80 B5R0.3 CO[C@@H](C)CO 91002 [0,1,0,0,0,0|2,0,0]=3 81 B5R0.3 C[C@@H](CN)CCl 72948 [0,1,0,0,0,0|1,0,0]=2 82 B5R0.3 C[C@@H](CO)CBr AB3182 [0,1,0,0,0,0|2,0,0]=3 83 B5R0.3 FCC(I)CF AC4509 [0,1,0,0,0,0|2,0,0]=3 84 B5R0.3 NC[C@H](Br)CBr AC1488 [0,1,0,0,0,0|1,0,0]=2 85 B5R0.3 NC[C@H](F)CO 94841 [0,1,0,0,0,0|1,0,0]=2 86 B5R0.3 NC[C@H](F)CO 94845 [0,1,0,0,0,0|1,0,0]=2 87 B5R0.3 NC[C@H](F)CO 94846 [0,1,0,0,0,0|1,0,0]=2 88 B5R0.3 NC[C@H](O)CCl C10413 [0,1,0,0,0,0|1,0,0]=2 89 B5R0.3 NC[C@H](O)CF 94771 [0,1,0,0,0,0|1,0,0]=2 90 B5R0.3 OC[C@H](O)CF 65949 [0,1,0,0,0,0|2,0,0]=3 91 B5R0.3 OC[C@H](O)CF F14582 [0,1,0,0,0,0|2,0,0]=3 92 B5R1.1 C1=CCSC1 F20684 [0,0,0,1,0,0|1,0,2]=4 93 B5R1.1 C1CNNC1 26256 [0,0,0,1,0,0|1,0,0]=2 94 B5R1.1 C1COCN1 A51210 [0,0,0,1,0,0|1,0,0]=2 95 B5R1.2 C=C1COC1 P17999 [0,0,0,1,0,0|2,0,1]=4 96 B5R1.2 C[C@H]1CCN1 98100 [0,0,0,1,0,0|0,0,0]=1 97 B5R1.2 C[C@H]1CCN1 P21034 [0,0,0,1,0,0|0,0,0]=1 98 B5R1.2 ClC1CCC1 T70092 [0,0,0,1,0,0|1,0,0]=2 99 B5R1.2 ClC1CNC1 37968 [0,0,0,1,0,0|2,0,0]=3 100 B5R1.2 ClC1COC1 CS1986 [0,0,0,1,0,0|2,0,0]=3 101 B5R1.2 FC1CNC1 SC2901 [0,0,0,1,0,0|2,0,0]=3 102 B5R1.2 IC1CCC1 P17114 [0,0,0,1,0,0|1,0,0]=2 103 B5R1.2 NC1CSC1 39038 [0,0,0,1,0,0|1,0,0]=2 104 B5R1.2 SC1CNC1 38596 [0,0,0,1,0,0|2,0,0]=3 105 B5R1.2 SC1COC1 32902 [0,0,0,1,0,0|2,0,0]=3 106 B5R1.3 ICC1CC1 P19124 [0,0,0,1,0,0|1,0,0]=2 107 B5R1.3 NNC1CC1 26649 [0,0,0,1,0,0|1,0,0]=2 108 B5R1.3 NNC1CC1 BL010354 [0,0,0,1,0,0|1,0,0]=2 109 B5R1.4 CC1CC1N 72192 [0,0,0,1,0,0|0,0,0]=1 110 B5R1.4 CC1CC1N 72742 [0,0,0,1,0,0|0,0,0]=1 111 B5R1.4 N[C@@H]1C[C@@H]1F D79320 [0,0,0,1,0,0|1,0,0]=2 112 B5R1.4 N[C@@H]1C[C@@H]1F P17919 [0,0,0,1,0,0|1,0,0]=2 113 B5R1.4 N[C@@H]1C[C@@H]1O C93526 [0,0,0,1,0,0|1,0,0]=2 114 B5R1.4 N[C@H]1C[C@@H]1F CS3399 [0,0,0,1,0,0|1,0,0]=2 115 B5R1.4 N[C@H]1C[C@@H]1N P18270 [0,0,0,1,0,0|1,0,0]=2 116 B2R0.1 CNC T70981 [2,0,0,0,0,0|1,0,0]=3 117 B2R0.1 CNN C10129 [2,0,0,0,0,0|1,0,0]=3 118 B2R0.1 CSC D78287 [2,0,0,0,0,0|1,0,0]=3 119 B2R0.1 FCI AT16478 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.1 C#C[C@H](C)N AB1311 [1,1,0,0,0,0|0,0,2]=4 121 B4R0.1 C#C[C@H](C)N F31055 [1,1,0,0,0,0|0,0,2]=4 122 B4R0.1 C=C[C@H](C)N 81150 [1,1,0,0,0,0|0,0,2]=4 123 B4R0.1 C=C[C@H](C)N C77628 [1,1,0,0,0,0|0,0,2]=4 124 B4R0.1 C=C[C@H](C)N N11410 [1,1,0,0,0,0|0,0,2]=4 125 B4R0.1 CC(=N)NN C74999 [1,1,0,0,0,0|1,0,1]=4 126 B4R0.1 CC(C)CBr P19652 [1,1,0,0,0,0|1,0,0]=3 127 B4R0.1 CC[C@H](C)N 74047 [1,1,0,0,0,0|0,0,0]=2 128 B4R0.1 C[C@H](Br)CN F11189 [1,1,0,0,0,0|0,0,0]=2 129 B4R0.1 C[C@H](Br)CO W17591 [1,1,0,0,0,0|1,0,0]=3 130 B4R0.1 C[C@H](Cl)CN Y14715 [1,1,0,0,0,0|0,0,0]=2 131 B4R0.1 C[C@H](N)C#N I11084 [1,1,0,0,0,0|0,0,2]=4 132 B4R0.1 C[C@H](N)CF AC1136 [1,1,0,0,0,0|1,0,0]=3 133 B4R0.1 C[C@H](N)CF AC6177 [1,1,0,0,0,0|1,0,0]=3 134 B4R0.1 C\C=C(\C)Br D93160 [1,1,0,0,0,0|0,0,2]=4 135 B4R0.1 N=C(N)CO 20678 [1,1,0,0,0,0|1,0,1]=4 136 B4R0.1 NCC(=O)O A10882 [1,1,0,0,0,0|1,0,1]=4 137 B4R0.1 NCC(=O)O T72551 [1,1,0,0,0,0|1,0,1]=4 138 B4R0.1 NCC(F)F C16390 [1,1,0,0,0,0|1,0,0]=3 139 B6R0.1 C=CC[C@H](N)CO F16846 [0,2,0,0,0,0|0,0,2]=4 140 B6R0.1 CCC[C@@H](Br)CC D78429 [0,2,0,0,0,0|1,0,0]=3 141 B6R0.1 CCC[C@H](N)CO C13482 [0,2,0,0,0,0|0,0,0]=2 142 B6R0.1 CCNC(=O)CO 79517 [0,2,0,0,0,0|1,0,1]=4 143 B6R0.1 CCO[C@@H](C)CO 91003 [0,2,0,0,0,0|1,0,0]=3 144 B6R0.1 CC[C@H](S)CCO D84734 [0,2,0,0,0,0|1,0,0]=3 145 B6R0.1 CNC(=O)CCN C75423 [0,2,0,0,0,0|0,0,1]=3 146 B6R0.1 CNC(=O)CCO AC6610 [0,2,0,0,0,0|1,0,1]=4 147 B6R0.1 CNC(=O)CCS A11187 [0,2,0,0,0,0|1,0,1]=4 148 B6R0.1 COC[C@@H](O)CN 94767 [0,2,0,0,0,0|0,0,0]=2 149 B6R0.1 NCC[C@H](O)CO F51073 [0,2,0,0,0,0|0,0,0]=2 150 B6R0.1 NNC(=O)CCO C77491 [0,2,0,0,0,0|1,0,1]=4 151 B6R0.1 N[C@H](CO)CCO AB10026 [0,2,0,0,0,0|1,0,0]=3 152 B6R0.1 N[C@H](CO)CCO AB10027 [0,2,0,0,0,0|1,0,0]=3 153 B6R0.1 N[C@H](CS)CCS F52529 [0,2,0,0,0,0|1,0,0]=3 154 B6R0.2 CC(Br)CC(C)Br T70499 [0,2,0,0,0,0|1,0,0]=3 155 B6R0.2 CC(C)CC(N)=O C75541 [0,2,0,0,0,0|0,0,1]=3 156 B6R0.2 CC(C)NC(N)=O 44261 [0,2,0,0,0,0|1,0,1]=4 157 B6R0.2 C[C@H](N)CN(C)C 76720 [0,2,0,0,0,0|1,0,0]=3 158 B6R0.2 C[C@H](O)CC(=O)O C10552 [0,2,0,0,0,0|1,0,1]=4 159 B6R0.2 C[C@H](O)CN(C)C A11394 [0,2,0,0,0,0|2,0,0]=4 160 B6R0.3 CC(C)C(=O)CCl D94573 [0,2,0,0,0,0|1,0,1]=4 161 B6R0.3 CC(C)[C@@H](C)CO D93394 [0,2,0,0,0,0|1,0,0]=3 162 B6R0.3 CC[C@H](C)C(=O)O 88659 [0,2,0,0,0,0|1,0,1]=4 163 B6R0.3 CC[C@H](N)C(N)=O I10243 [0,2,0,0,0,0|0,0,1]=3 164 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [0,2,0,0,0,0|1,0,0]=3 165 B6R0.3 CN(C)C(=O)CN FD21613 [0,2,0,0,0,0|1,0,1]=4 166 B6R0.3 CNC(=O)[C@H](C)N C78177 [0,2,0,0,0,0|1,0,1]=4 167 B6R0.3 CNC(=O)[C@H](C)N C78349 [0,2,0,0,0,0|1,0,1]=4 168 B6R0.3 CNC(=O)[C@H](C)N FD21069 [0,2,0,0,0,0|1,0,1]=4 169 B6R0.3 C[C@@H](CN)C(=O)O F15101 [0,2,0,0,0,0|1,0,1]=4 170 B6R0.3 C[C@@H](CN)C(=O)O F15242 [0,2,0,0,0,0|1,0,1]=4 171 B6R0.3 NC(=O)[C@@H](N)CO D75098 [0,2,0,0,0,0|1,0,1]=4 172 B6R0.3 NC[C@H](F)C(=O)O T73016 [0,2,0,0,0,0|1,0,1]=4 173 B6R0.3 NC[C@H](O)C(=O)O O10173 [0,2,0,0,0,0|1,0,1]=4 174 B6R0.3 O[C@@H](CBr)C(F)F AC5394 [0,2,0,0,0,0|2,0,0]=4 175 B6R0.4 C#CCOC(C)C 79308 [0,2,0,0,0,0|1,0,1]=4 176 B6R0.4 C=C(C)CCCBr 71968 [0,2,0,0,0,0|1,0,0]=3 177 B6R0.4 CC(=O)CCC=O P17049 [0,2,0,0,0,0|1,0,1]=4 178 B6R0.4 CC(=O)CCCBr 25631 [0,2,0,0,0,0|1,0,0]=3 179 B6R0.4 CC(=O)OCCN W11955 [0,2,0,0,0,0|0,0,1]=3 180 B6R0.4 CC(C)CCC=O 31143 [0,2,0,0,0,0|1,0,0]=3 181 B6R0.4 CC(C)OCCBr 33996 [0,2,0,0,0,0|1,0,0]=3 182 B6R0.4 CC(C)OCCN T71353 [0,2,0,0,0,0|0,0,0]=2 183 B6R0.4 CCOCC(=O)O D73862 [0,2,0,0,0,0|1,0,1]=4 184 B6R0.4 CCOC[C@H](C)N 75202 [0,2,0,0,0,0|0,0,0]=2 185 B6R0.4 C[C@H](Cl)CCCCl A11066 [0,2,0,0,0,0|1,0,0]=3 186 B6R0.4 NC(=O)OCCO A11395 [0,2,0,0,0,0|1,0,1]=4 187 B6R0.4 NCCCC(N)=O C72206 [0,2,0,0,0,0|0,0,1]=3 188 B6R0.5 C#CCC(C)(C)O 77946 [0,2,0,0,0,0|1,0,1]=4 189 B6R0.5 C=CCC(C)(C)C T71314 [0,2,0,0,0,0|1,0,1]=4 190 B6R0.5 CC(C)(C)CCI D86336 [0,2,0,0,0,0|1,0,0]=3 191 B6R0.5 CC(C)(F)CCN W17442 [0,2,0,0,0,0|0,0,0]=2 192 B6R0.5 CC(C)(O)CCN A51232 [0,2,0,0,0,0|0,0,0]=2 193 B6R0.5 CC(C)(O)CON AC7988 [0,2,0,0,0,0|1,0,0]=3 194 B6R0.5 CCCP(=O)(O)O C15829 [0,2,0,0,0,0|2,0,0]=4 195 B6R0.5 CNCC(C)(C)F 85781 [0,2,0,0,0,0|2,0,0]=4 196 B6R0.5 CNCC(F)(F)F AC1475 [0,2,0,0,0,0|2,0,0]=4 197 B6R0.5 CS(=O)(=O)CCBr AC1299 [0,2,0,0,0,0|2,0,0]=4 198 B6R0.5 C[Si](C)(C)CCS 74594 [0,2,0,0,0,0|1,1,0]=4 199 B6R0.5 NS(=O)(=O)CCO 91995 [0,2,0,0,0,0|2,0,0]=4 200 B6R0.6 BrCCNCCBr 35649 [0,2,0,0,0,0|1,0,0]=3 201 B6R0.6 C#CCCCCI C74272 [0,2,0,0,0,0|1,0,0]=3 202 B6R0.6 C#CCCCCN 79352 [0,2,0,0,0,0|0,0,0]=2 203 B6R0.6 C=CCNCCO W12833 [0,2,0,0,0,0|1,0,1]=4 204 B6R0.6 C=COCCON 32359 [0,2,0,0,0,0|0,0,2]=4 205 B6R0.6 CC#CCCCO W16152 [0,2,0,0,0,0|1,0,0]=3 206 B6R0.6 CCOCCCBr A11082 [0,2,0,0,0,0|1,0,0]=3 207 B6R0.6 CCOCCON W15834 [0,2,0,0,0,0|0,0,0]=2 208 B6R0.6 CC\C=C/CCI 98107 [0,2,0,0,0,0|1,0,0]=3 209 B6R0.6 CNCC#CCO 68302 [0,2,0,0,0,0|0,0,2]=4 210 B6R0.6 CNCCCCBr C74879 [0,2,0,0,0,0|0,0,0]=2 211 B6R0.6 CNCCCCN D80538 [0,2,0,0,0,0|0,0,0]=2 212 B6R0.6 ClCCOCCI 12079 [0,2,0,0,0,0|1,0,0]=3 213 B6R0.6 N#CCCCCBr D77353 [0,2,0,0,0,0|0,0,1]=3 214 B6R0.6 NCCCCCBr 97997 [0,2,0,0,0,0|0,0,0]=2 215 B6R0.6 NCCNCCN D81398 [0,2,0,0,0,0|0,0,0]=2 216 B6R0.6 O=NCNCCO D93315 [0,2,0,0,0,0|1,0,1]=4 217 B6R0.6 OCCCCCO D77911 [0,2,0,0,0,0|1,0,0]=3 218 B6R0.6 OCCOCCF AT25497 [0,2,0,0,0,0|1,0,0]=3 219 B6R0.8 CC(O)(CO)CO AC1642 [0,2,0,0,0,0|2,0,0]=4 220 B6R0.8 CCS(=O)(=O)CCl 72654 [0,2,0,0,0,0|2,0,0]=4 221 B6R0.8 CC[C@](C)(N)C#N 25874 [0,2,0,0,0,0|0,0,2]=4 222 B6R0.8 COC(C)(C)CBr 71702 [0,2,0,0,0,0|2,0,0]=4 223 B6R0.8 NCC(F)(F)CN 72850 [0,2,0,0,0,0|1,0,0]=3 224 B6R0.8 NCC(F)(F)CO 74613 [0,2,0,0,0,0|1,0,0]=3 225 B6R0.9 CCC(C#N)CC AC1599 [0,2,0,0,0,0|1,0,0]=3 226 B6R0.9 CCC(CBr)CBr W17735 [0,2,0,0,0,0|1,0,0]=3 227 B6R0.9 CCN(C#N)CC A12695 [0,2,0,0,0,0|2,0,0]=4 228 B6R0.9 CC[C@@H](CN)CO Y13480 [0,2,0,0,0,0|0,0,0]=2 229 B6R0.9 CO[C@@H](CN)CO P20679 [0,2,0,0,0,0|1,0,0]=3 230 B4R1.1 C1CNC1 52818 [1,0,0,1,0,0|0,0,0]=2 231 B4R1.2 C[C@H]1CN1 68557 [1,0,0,1,0,0|0,0,0]=2 232 B4R1.2 IC1CC1 AC5127 [1,0,0,1,0,0|1,0,0]=3 233 B6R1.2 C=C1CCNC1 F13598 [0,1,0,1,0,0|0,0,1]=3 234 B6R1.2 C[C@H]1CCNC1 69327 [0,1,0,1,0,0|0,0,0]=2 235 B6R1.2 C[C@H]1CCSC1 70016 [0,1,0,1,0,0|1,0,0]=3 236 B6R1.2 Cl[C@H]1CCNC1 W15835 [0,1,0,1,0,0|0,0,0]=2 237 B6R1.2 Cl[C@H]1CCOC1 N12419 [0,1,0,1,0,0|1,0,0]=3 238 B6R1.2 F[C@H]1CCNC1 P10396 [0,1,0,1,0,0|0,0,0]=2 239 B6R1.2 F[C@H]1CCNC1 P10397 [0,1,0,1,0,0|0,0,0]=2 240 B6R1.2 I[C@H]1CCOC1 37310 [0,1,0,1,0,0|1,0,0]=3 241 B6R1.2 I[C@H]1CCOC1 37311 [0,1,0,1,0,0|1,0,0]=3 242 B6R1.2 NC1=NCCO1 53947 [0,1,0,1,0,0|1,0,1]=4 243 B6R1.2 NN1CCCC1 F13227 [0,1,0,1,0,0|0,0,0]=2 244 B6R1.2 NN1CCCC1 S12058 [0,1,0,1,0,0|0,0,0]=2 245 B6R1.2 N[C@H]1CCSC1 70834 [0,1,0,1,0,0|0,0,0]=2 246 B6R1.2 O=C1CNCN1 25530 [0,1,0,1,0,0|1,0,1]=4 247 B6R1.2 O[C@H]1CCSC1 50208 [0,1,0,1,0,0|1,0,0]=3 248 B6R1.2 O[C@H]1CNOC1 31712 [0,1,0,1,0,0|1,0,0]=3 249 B6R1.3 BrC#CC1CC1 31752 [0,1,0,1,0,0|1,0,1]=4 250 B6R1.3 BrCCC1CC1 32177 [0,1,0,1,0,0|1,0,0]=3 251 B6R1.3 BrCC[C@H]1CO1 F20905 [0,1,0,1,0,0|1,0,0]=3 252 B6R1.3 C#CCC1CC1 70830 [0,1,0,1,0,0|1,0,0]=3 253 B6R1.3 CNCC1CC1 P11100 [0,1,0,1,0,0|0,0,0]=2 254 B6R1.3 ICCC1CC1 73383 [0,1,0,1,0,0|1,0,0]=3 255 B6R1.3 NNCC1CC1 P11241 [0,1,0,1,0,0|0,0,0]=2 256 B6R1.3 NOCC1CC1 59190 [0,1,0,1,0,0|0,0,0]=2 257 B6R1.3 O=CCC1CC1 P10743 [0,1,0,1,0,0|1,0,0]=3 258 B6R1.5 CC1CC(=O)C1 P12177 [0,1,0,1,0,0|1,0,1]=4 259 B6R1.5 CC1CC(N)C1 72358 [0,1,0,1,0,0|0,0,0]=2 260 B6R1.5 CN1CC(Cl)C1 P18477 [0,1,0,1,0,0|2,0,0]=4 261 B6R1.5 CN1CC(N)C1 37022 [0,1,0,1,0,0|1,0,0]=3 262 B6R1.5 CN1CC(O)C1 37023 [0,1,0,1,0,0|2,0,0]=4 263 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [0,1,0,1,0,0|1,0,1]=4 264 B6R1.5 C[C@H]1C[C@@H](N)C1 P18428 [0,1,0,1,0,0|0,0,0]=2 265 B6R1.5 C[C@H]1C[C@H](N)C1 D79129 [0,1,0,1,0,0|0,0,0]=2 266 B6R1.5 NC1CC(F)C1 80871 [0,1,0,1,0,0|0,0,0]=2 267 B6R1.5 NC1CC(N)C1 38579 [0,1,0,1,0,0|0,0,0]=2 268 B6R1.5 NN1CC(O)C1 P15912 [0,1,0,1,0,0|1,0,0]=3 269 B6R1.5 N[C@H]1C[C@@H](F)C1 P16188 [0,1,0,1,0,0|0,0,0]=2 270 B6R1.5 N[C@H]1C[C@@H](N)C1 38580 [0,1,0,1,0,0|0,0,0]=2 271 B6R1.5 N[C@H]1C[C@H](O)C1 31135 [0,1,0,1,0,0|0,0,0]=2 272 B6R1.5 O=C1CC(O)C1 P12929 [0,1,0,1,0,0|1,0,1]=4 273 B6R1.5 OC1CC(F)C1 80872 [0,1,0,1,0,0|1,0,0]=3 274 B6R1.5 OC1CC(O)C1 P18335 [0,1,0,1,0,0|1,0,0]=3 275 B6R1.5 O[C@H]1C[C@@H](O)C1 P20298 [0,1,0,1,0,0|1,0,0]=3 276 B6R1.5 O[C@H]1C[C@H](F)C1 38850 [0,1,0,1,0,0|1,0,0]=3 277 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [0,1,0,1,0,0|1,0,0]=3 278 B6R1.8 OC[C@H]1C[C@@H]1F CS3459 [0,1,0,1,0,0|1,0,0]=3 279 B6R1.9 CC1(C)C[C@@H]1N 69330 [0,1,0,1,0,0|0,0,0]=2 280 B6R1.9 FC1(F)C[C@@H]1Br P15979 [0,1,0,1,0,0|2,0,0]=4 281 B6R1.10 CC1(F)CNC1 88058 [0,1,0,1,0,0|2,0,0]=4 282 B6R1.10 CC1(N)CCC1 P10590 [0,1,0,1,0,0|0,0,0]=2 283 B6R1.10 CC1(N)CCC1 P10892 [0,1,0,1,0,0|0,0,0]=2 284 B6R1.10 CC1(N)COC1 52948 [0,1,0,1,0,0|1,0,0]=3 285 B6R1.10 CC1(N)CSC1 P16047 [0,1,0,1,0,0|1,0,0]=3 286 B6R1.10 CC1(O)CCC1 83777 [0,1,0,1,0,0|1,0,0]=3 287 B6R1.10 CC1(O)CNC1 54439 [0,1,0,1,0,0|2,0,0]=4 288 B6R1.10 CC1(O)CSC1 P15377 [0,1,0,1,0,0|2,0,0]=4 289 B6R1.10 O=S1(=O)CCN1 AT12682 [0,1,0,1,0,0|2,0,0]=4 290 B6R1.11 C[C@H](N)C1CC1 N10509 [0,1,0,1,0,0|0,0,0]=2 291 B6R1.11 C[C@H](N)C1CC1 W12229 [0,1,0,1,0,0|0,0,0]=2 292 B6R1.11 C[C@H](O)C1CC1 C77522 [0,1,0,1,0,0|1,0,0]=3 293 B6R1.11 C[C@H](O)C1CC1 C77523 [0,1,0,1,0,0|1,0,0]=3 294 B6R1.11 O=[S@]([O-])C1CC1 29996 [0,1,0,1,0,0|2,0,0]=4 295 B6R1.1 C1CCNNC1 71659 [0,1,0,1,0,0|0,0,0]=2 296 B6R1.4 CC1NCC1F P20228 [0,1,0,1,0,0|0,0,0]=2 297 B6R1.4 CC1OCC1O P16543 [0,1,0,1,0,0|1,0,0]=3 298 B6R1.4 C[C@@H]1OCC1=O P16003 [0,1,0,1,0,0|1,0,1]=4 299 B6R1.4 C[C@H]1CCC1=O W18267 [0,1,0,1,0,0|1,0,0]=3 300 B6R1.4 C[C@H]1CNC1=O P20594 [0,1,0,1,0,0|1,0,1]=4 301 B6R1.4 C[C@H]1NC[C@@H]1F P20392 [0,1,0,1,0,0|0,0,0]=2 302 B6R1.4 C[C@H]1NC[C@@H]1O D79131 [0,1,0,1,0,0|0,0,0]=2 303 B6R1.4 C[C@H]1NC[C@@H]1O P18430 [0,1,0,1,0,0|0,0,0]=2 304 B6R1.4 NC1CCC1F P20418 [0,1,0,1,0,0|0,0,0]=2 305 B6R1.4 NC1CCC1O 94999 [0,1,0,1,0,0|0,0,0]=2 306 B6R1.4 N[C@@H]1CC[C@@H]1O P18786 [0,1,0,1,0,0|0,0,0]=2 307 B6R1.4 O=C1CC[C@@H]1Br P18435 [0,1,0,1,0,0|1,0,1]=4 308 B6R1.4 OC1CCC1O D79179 [0,1,0,1,0,0|1,0,0]=3 309 B6R1.4 O[C@H]1CC[C@@H]1O P21043 [0,1,0,1,0,0|1,0,0]=3 310 B6R1.6 BrC[C@H]1CCO1 28585 [0,1,0,1,0,0|1,0,0]=3 311 B6R1.6 BrC[C@H]1CCO1 D97141 [0,1,0,1,0,0|1,0,0]=3 312 B6R1.6 BrC[C@H]1CCO1 P21121 [0,1,0,1,0,0|1,0,0]=3 313 B6R1.6 C#C[C@@H]1CCO1 P18800 [0,1,0,1,0,0|1,0,1]=4 314 B6R1.6 CNC1CCC1 20929 [0,1,0,1,0,0|0,0,0]=2 315 B6R1.6 CSC1CNC1 37205 [0,1,0,1,0,0|1,0,0]=3 316 B6R1.6 FCC1CNC1 86811 [0,1,0,1,0,0|1,0,0]=3 317 B6R1.6 N#CC1CNC1 CS1269 [0,1,0,1,0,0|0,0,2]=4 318 B6R1.6 N#CC1COC1 81313 [0,1,0,1,0,0|0,0,2]=4 319 B6R1.6 N#C[C@@H]1CCN1 P18399 [0,1,0,1,0,0|0,0,1]=3 320 B6R1.6 NCC1CNC1 26899 [0,1,0,1,0,0|0,0,0]=2 321 B6R1.6 NC[C@H]1CCN1 20184 [0,1,0,1,0,0|0,0,0]=2 322 B6R1.6 NC[C@H]1CCO1 P20441 [0,1,0,1,0,0|0,0,0]=2 323 B6R1.6 NNC1CCC1 AB1362 [0,1,0,1,0,0|0,0,0]=2 324 B6R1.6 NNC1CCC1 BL010353 [0,1,0,1,0,0|0,0,0]=2 325 B6R1.6 NNC1CNC1 BL010350 [0,1,0,1,0,0|1,0,0]=3 326 B6R1.6 NNC1COC1 BL010351 [0,1,0,1,0,0|1,0,0]=3 327 B6R1.6 NNC1CSC1 BL010352 [0,1,0,1,0,0|1,0,0]=3 328 B6R1.6 O=CC1COC1 84841 [0,1,0,1,0,0|1,0,1]=4 329 B6R1.6 OCC1CNC1 65945 [0,1,0,1,0,0|1,0,0]=3 330 B6R1.6 OC[C@H]1CCN1 36269 [0,1,0,1,0,0|0,0,0]=2 331 B6R1.6 OC[C@H]1CCN1 38353 [0,1,0,1,0,0|0,0,0]=2 332 B6R1.6 OC[C@H]1CCN1 38354 [0,1,0,1,0,0|0,0,0]=2 333 B6R1.6 OC[C@H]1CCO1 26540 [0,1,0,1,0,0|1,0,0]=3 334 B6R1.6 OC[C@H]1CCO1 AT10832 [0,1,0,1,0,0|1,0,0]=3 335 B6R1.6 OC[C@H]1CCO1 P19736 [0,1,0,1,0,0|1,0,0]=3 336 B6R1.7 C#CC1(N)CC1 70853 [0,1,0,1,0,0|1,0,1]=4 337 B6R1.7 CC1(CN)CC1 W10016 [0,1,0,1,0,0|0,0,0]=2 338 B6R1.7 C[C@]1(CO)CO1 95575 [0,1,0,1,0,0|2,0,0]=4 339 B6R1.7 NC1(CF)CC1 72945 [0,1,0,1,0,0|1,0,0]=3 340 B6R1.7 NC1(CO)CC1 32781 [0,1,0,1,0,0|1,0,0]=3 341 B6R1.7 NCC1(O)CC1 AC3228 [0,1,0,1,0,0|0,0,0]=2 342 B6R1.7 OCC1(F)CC1 72692 [0,1,0,1,0,0|1,0,0]=3 343 B6R1.7 OCC1(O)CC1 72268 [0,1,0,1,0,0|1,0,0]=3