0 B5R0.2 C#CCCOC AC9661 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 C#CCNCC AT19974 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 C=CCCC#N C16042 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 C=CCCON S12259 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.2 CC#CCNC AT19972 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 CCCC#CI T71796 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 CCCCNN AC6660 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.2 CCCCNO AT14838 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.2 CCCNOC AT24927 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.2 CNCCSC D87904 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.2 COCCNN AC7088 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.2 CONCCO AT24903 [0,0,0,0,0,0|4,0,0]=4 12 B5R0.2 C\C=C\CCN AT22492 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.2 N#CCCCN N13271 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.2 NCCCNN W10659 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.2 NCCCNO AT14843 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.2 NNCCCO W10664 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.2 NOCCCO P16653 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.2 [2H]OCCCC D98922 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.2 C#CCSC AT19944 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.2 C=C=CCC T72673 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.2 C=CCCI C77576 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.2 C=CCCN AT25938 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.2 CCNCC T70517 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.2 CC\C=C\Br F11593 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.2 CNCCS AT25552 [1,0,0,0,0,0|1,1,1]=4 26 B4R0.2 COCCS AT13674 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.2 NCCCI AC8002 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.2 NCCCN T70141 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 NCCCN T70477 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.2 NCCNO AT14839 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.2 O=C\C=N/O F18478 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.2 O=C\C=N\O F18186 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.2 O=[Ce]O[Ce]=O F20751 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.2 [2H]OCCC D99167 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.1 C=CC[C@H](N)CO N11070 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.1 C=CC[C@H](N)CO N11385 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.1 C=CC[C@H](N)CO N15485 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.1 C=CC[C@H](O)CN AT10905 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.1 C=C[C@@H](C)CCC T72328 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.1 CCC[C@H](C)CBr S11885 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.1 CC[C@H](N)CCO AT22371 [0,1,0,0,0,0|1,0,2]=4 42 B6R0.1 CC[C@H](N)COC D87652 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.1 CC[C@H](N)COC D87653 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.1 CC[C@H](O)CC#N A50899 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.4 C=C(C)CCCO 71061 [0,1,0,0,0,0|3,0,0]=4 46 B6R0.4 CC#CCC(=O)O AT21835 [0,1,0,0,0,0|1,0,2]=4 47 B6R0.4 CC(C)CCNN AC3937 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.4 CC(C)OCCS AT13760 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.4 CCCNC(=S)[S-] I11294 [0,1,0,0,0,0|1,1,0]=3 50 B6R0.4 CCNCC(=O)O T72729 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.4 CCNC[C@H](C)O 91070 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.4 CCONC(C)=O AT24904 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.4 CNCCC(N)=O C78256 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.4 COCOC(C)=O D72003 [0,1,0,0,0,0|1,0,0]=2 55 B6R0.4 C[C@H](N)CCCO AT20758 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.4 C[C@H](O)CCC#N F51113 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.4 C[C@H](O)CCCBr A11305 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.4 C[C@H](O)CCCN AT20756 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.4 NC(=O)CCCO AT20755 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.4 NC(=S)NCCO AT24984 [0,1,0,0,0,0|2,1,0]=4 61 B6R0.4 NCCCC(=O)O T70552 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.4 NCCCC(N)=O AC5898 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.4 NCCOC(F)F 89964 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.4 NOCCC(=O)O AT14539 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.4 O=C(Cl)OCCF AT25498 [0,1,0,0,0,0|1,0,0]=2 66 B6R0.4 O=[N+]([O-])CCCO A12344 [0,1,0,0,0,0|3,0,0]=4 67 B6R0.4 [2H][C@H](Br)CCCC D99408 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.6 C#CCCCCN D76652 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.6 C=CCCCC=C T72268 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.6 C=CCSCCN AT25545 [0,1,0,0,0,0|2,1,0]=4 71 B6R0.6 CCNCCSC AT25567 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.6 CCOCCNN AC6859 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.6 CCOCCON AT14482 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.6 CCO\C=C\C=O F18326 [0,1,0,0,0,0|1,0,1]=3 75 B6R0.6 CNCCCC#N AB10346 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.6 CNCCCOC F15969 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.6 COCCCC#N C77649 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.6 COCCCCN C77605 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.6 COCCCON AT14486 [0,1,0,0,0,0|3,0,0]=4 80 B6R0.6 COCCN=C=O D87777 [0,1,0,0,0,0|1,0,1]=3 81 B6R0.6 CSCCN=C=S AT25553 [0,1,0,0,0,0|1,1,1]=4 82 B6R0.6 C\C=C/CCCCl T71143 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.6 N#CCCCCN AC2033 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.6 NCCOCCF AT12496 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.6 O=CNCCCO AC9004 [0,1,0,0,0,0|1,0,0]=2 86 B6R0.6 OCCOCCI C77657 [0,1,0,0,0,0|1,0,2]=4 87 B6R0.6 [2H]OCCCCC D99155 [0,1,0,0,0,0|1,0,2]=4 88 B6R0.6 [N-]=[N+]=NCCCN F19638 [0,1,0,0,0,0|3,0,0]=4 89 B6R1.1 C1=COCCO1 T71041 [0,0,0,1,0,0|2,0,0]=3 90 B6R1.1 C1CCNCC1 S11730 [0,0,0,1,0,0|2,0,1]=4 91 B6R1.1 C1CCONC1 P10408 [0,0,0,1,0,0|2,0,0]=3 92 B6R1.1 C1CNCOC1 C72764 [0,0,0,1,0,0|1,0,1]=3 93 B6R1.2 C[C@H]1CCNC1 71655 [0,0,0,1,0,0|2,0,1]=4 94 B6R1.2 FC1CCCC1 T71800 [0,0,0,1,0,0|2,0,1]=4 95 B6R1.2 N=C1NCCN1 AT25110 [0,0,0,1,0,0|3,0,0]=4 96 B6R1.2 O=C1CCON1 A11072 [0,0,0,1,0,0|2,0,0]=3 97 B6R1.2 O=C1CNCN1 C15062 [0,0,0,1,0,0|2,0,0]=3 98 B6R1.2 O[C@H]1CNOC1 AT14847 [0,0,0,1,0,0|3,0,0]=4 99 B6R1.3 O=C=NC1CC1 AC8066 [0,0,0,1,0,0|1,0,1]=3 100 B6R1.4 CC1CCC1N W15200 [0,0,0,1,0,0|2,0,1]=4 101 B6R1.4 CC1OCC1N P20429 [0,0,0,1,0,0|2,0,1]=4 102 B6R1.6 ClC[C@H]1CCO1 32069 [0,0,0,1,0,0|2,0,1]=4 103 B6R1.6 NOC1CCC1 97653 [0,0,0,1,0,0|3,0,0]=4 104 B6R1.8 CC1CC1C#N C77546 [0,0,0,1,0,0|2,0,1]=4 105 B6R1.8 CC1CC1CBr P20770 [0,0,0,1,0,0|2,0,1]=4 106 B6R1.8 CC[C@H]1C[C@@H]1N AT11453 [0,0,0,1,0,0|2,0,1]=4 107 B6R1.8 CC[C@H]1C[C@@H]1N AT11457 [0,0,0,1,0,0|2,0,1]=4 108 B6R1.8 C[C@@H]1C[C@@H]1CBr 55223 [0,0,0,1,0,0|2,0,1]=4 109 B3R0.1 CCCN T71779 [2,0,0,0,0,0|1,0,0]=3 110 B3R0.1 NCCI AC7986 [2,0,0,0,0,0|2,0,0]=4 111 B3R0.1 [2H]CCBr D98237 [2,0,0,0,0,0|2,0,0]=4 112 B3R0.1 [2H]OC=O D99054 [2,0,0,0,0,0|1,0,0]=3 113 B3R0.1 [2H]OCC D99756 [2,0,0,0,0,0|1,0,0]=3 114 B5R0.1 C#CC[C@H](C)N AT12968 [1,1,0,0,0,0|1,0,1]=4 115 B5R0.1 C=C(C)CCC D91296 [1,1,0,0,0,0|1,0,0]=3 116 B5R0.1 C=CCC(=C)C T72918 [1,1,0,0,0,0|1,0,1]=4 117 B5R0.1 C=CC[C@H](C)N AT12969 [1,1,0,0,0,0|1,0,0]=3 118 B5R0.1 CC#CC(C)=O AC8567 [1,1,0,0,0,0|0,0,2]=4 119 B5R0.1 CC(=O)CCBr D82681 [1,1,0,0,0,0|1,0,0]=3 120 B5R0.1 CC(C)CNN AR2531 [1,1,0,0,0,0|2,0,0]=4 121 B5R0.1 CCC[C@H](C)N N10856 [1,1,0,0,0,0|1,0,1]=4 122 B5R0.1 CCC[C@H](C)N N15476 [1,1,0,0,0,0|1,0,1]=4 123 B5R0.1 CNCC(C)=O 72642 [1,1,0,0,0,0|1,0,0]=3 124 B5R0.1 CONC(C)=O AT24901 [1,1,0,0,0,0|2,0,0]=4 125 B5R0.1 CONC(C)C AT24926 [1,1,0,0,0,0|1,0,1]=4 126 B5R0.1 CONC(N)=O AT24902 [1,1,0,0,0,0|2,0,0]=4 127 B5R0.1 CSC[C@H](C)N AT10784 [1,1,0,0,0,0|0,1,1]=4 128 B5R0.1 C[C@H](N)CC#N N14213 [1,1,0,0,0,0|1,0,1]=4 129 B5R0.1 C[C@H](N)CCO 83613 [1,1,0,0,0,0|0,0,2]=4 130 B5R0.1 C[C@H](N)CCO 83649 [1,1,0,0,0,0|0,0,2]=4 131 B5R0.1 C[C@H](O)CCN D77181 [1,1,0,0,0,0|1,0,1]=4 132 B5R0.1 C[C@H](O)CCN D77194 [1,1,0,0,0,0|1,0,1]=4 133 B5R0.1 C[C@H](O)CNN W10671 [1,1,0,0,0,0|2,0,0]=4 134 B5R0.1 C[C@H](O)CON AT14481 [1,1,0,0,0,0|1,0,0]=3 135 B5R0.1 C[S@](=O)CCN AT24516 [1,1,0,0,0,0|1,1,0]=4 136 B5R0.1 C[S@](=O)CCN AT24517 [1,1,0,0,0,0|1,1,0]=4 137 B5R0.1 C[S@](=O)CCO E72546 [1,1,0,0,0,0|1,1,0]=4 138 B5R0.1 C\C=C/C(C)C T72834 [1,1,0,0,0,0|1,0,1]=4 139 B5R0.1 N#CCC(=O)Cl 79959 [1,1,0,0,0,0|1,0,1]=4 140 B5R0.1 N=C(N)CCO AT21673 [1,1,0,0,0,0|2,0,0]=4 141 B5R0.1 NCCC(=O)O T70551 [1,1,0,0,0,0|1,0,0]=3 142 B5R0.1 NCCC(N)=O AC6190 [1,1,0,0,0,0|1,0,0]=3 143 B5R0.1 NCC[N+](=O)[O-] AT10581 [1,1,0,0,0,0|2,0,0]=4 144 B5R0.1 NCC[P@H](=O)O S12399 [1,1,0,0,0,0|2,0,0]=4 145 B5R0.1 [2H]C(=O)OCC D98566 [1,1,0,0,0,0|0,0,0]=2 146 B5R0.3 C#C[C@@H](C)CC W11641 [1,1,0,0,0,0|1,0,1]=4 147 B5R0.3 CC[C@H](C)CBr D86395 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.3 CC[C@H](C)CN 88661 [1,1,0,0,0,0|1,0,1]=4 149 B5R0.3 CC[C@H](C)CO 88660 [1,1,0,0,0,0|0,0,2]=4 150 B5R0.3 CC[C@H](C)NN AB8698 [1,1,0,0,0,0|2,0,0]=4 151 B5R0.3 CC[C@H](C)ON AT14504 [1,1,0,0,0,0|1,0,0]=3 152 B5R0.3 CC[C@H](N)C#N AT12684 [1,1,0,0,0,0|1,0,1]=4 153 B5R0.3 CC[C@H](N)C#N AT12685 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.3 CC[C@H](N)C#N N14345 [1,1,0,0,0,0|1,0,1]=4 155 B5R0.3 CO[C@@H](C)CN 91000 [1,1,0,0,0,0|1,0,1]=4 156 B5R0.3 O=C[C@@H](O)CO C15860 [1,1,0,0,0,0|1,0,0]=3 157 B5R0.3 O=C[C@@H](O)CO S10019 [1,1,0,0,0,0|1,0,0]=3 158 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,2,0,0,0,0|2,0,0]=4 159 B7R0.2 CC(=O)N[C@@H](C)CO C91213 [0,2,0,0,0,0|2,0,0]=4 160 B7R0.2 CC\C(C)=C/C(=O)O 64163 [0,2,0,0,0,0|1,0,1]=4 161 B7R0.2 C[C@H](CCl)CC(=O)Cl AC1923 [0,2,0,0,0,0|2,0,0]=4 162 B7R0.2 N[C@H](CO)CC(=O)O FD10277 [0,2,0,0,0,0|2,0,0]=4 163 B7R0.2 N[C@H](CO)CC(=O)O FD10309 [0,2,0,0,0,0|2,0,0]=4 164 B7R0.3 CCC(=O)OCOC D72002 [0,2,0,0,0,0|1,0,0]=3 165 B7R0.3 CCCNC(=O)CN C78397 [0,2,0,0,0,0|1,0,0]=3 166 B7R0.3 CCONC(=O)CN AT14835 [0,2,0,0,0,0|2,0,0]=4 167 B7R0.3 CNC(=O)NCCO AT23083 [0,2,0,0,0,0|2,0,0]=4 168 B7R0.3 CNC(=O)OCCO AT13707 [0,2,0,0,0,0|1,0,0]=3 169 B7R0.3 COC(=O)CCCN 32601 [0,2,0,0,0,0|2,0,0]=4 170 B7R0.3 COC(=O)NCCN AT13709 [0,2,0,0,0,0|2,0,0]=4 171 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [0,2,0,0,0,0|2,0,0]=4 172 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [0,2,0,0,0,0|2,0,0]=4 173 B7R0.5 CCCC(=O)C(N)=O AC9508 [0,2,0,0,0,0|1,0,0]=3 174 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [0,2,0,0,0,0|1,0,0]=3 175 B7R0.5 CNC[C@H](N)C(=O)O 88602 [0,2,0,0,0,0|2,0,0]=4 176 B7R0.5 C[Se]C[C@H](N)C(=O)O C16524 [0,2,0,0,0,0|2,0,0]=4 177 B7R0.5 NCC[C@H](F)C(=O)O F19724 [0,2,0,0,0,0|2,0,0]=4 178 B7R0.5 NCC[C@H](N)C(=O)O F10323 [0,2,0,0,0,0|2,0,0]=4 179 B7R0.7 CCS[C@@H](C)CC=O D86335 [0,2,0,0,0,0|1,0,0]=3 180 B7R0.10 O=C[C@@H](O)[C@@H](O)CO T72661 [0,2,0,0,0,0|2,0,0]=4 181 B7R0.11 C=CC(C)(C)CCC T70796 [0,2,0,0,0,0|2,0,0]=4 182 B7R0.11 CCOC(C)(C)C=O F20263 [0,2,0,0,0,0|2,0,0]=4 183 B7R0.11 CCOC(C)(C)CC D78478 [0,2,0,0,0,0|1,0,1]=4 184 B7R0.11 COCC(C)(C)C=O D84794 [0,2,0,0,0,0|2,0,0]=4 185 B7R0.4 C#CCOCC(=O)O AT18966 [0,2,0,0,0,0|0,0,2]=4 186 B7R0.4 C#CCOCC(N)=O AT20727 [0,2,0,0,0,0|0,0,2]=4 187 B7R0.4 C=C(C)CC\C=C\C T72820 [0,2,0,0,0,0|2,0,0]=4 188 B7R0.4 C=CCOCC(=O)O D77063 [0,2,0,0,0,0|0,0,2]=4 189 B7R0.4 CC(=O)NCCCN AR2174 [0,2,0,0,0,0|1,0,0]=3 190 B7R0.4 CCCCCC(N)=S W19000 [0,2,0,0,0,0|1,1,0]=4 191 B7R0.4 CCNCCC(N)=O A11725 [0,2,0,0,0,0|1,0,0]=3 192 B7R0.4 CC\C=C/CC(=O)O F18341 [0,2,0,0,0,0|1,0,1]=4 193 B7R0.4 CNCCCC(N)=O AB11605 [0,2,0,0,0,0|1,0,0]=3 194 B7R0.4 CNCCNC(C)=O C77870 [0,2,0,0,0,0|1,0,0]=3 195 B7R0.4 COCCC[N+](=O)[O-] E70181 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.4 COC\C=C\C(=O)O P17072 [0,2,0,0,0,0|1,0,1]=4 197 B7R0.4 C[S@](=O)CCCCN 13216 [0,2,0,0,0,0|2,0,0]=4 198 B7R0.4 NC(=O)CCCCBr AC9465 [0,2,0,0,0,0|1,0,0]=3 199 B7R0.4 NC(=O)CCCCCl AC5718 [0,2,0,0,0,0|1,0,0]=3 200 B7R0.4 NCCCCC(N)=O AC3685 [0,2,0,0,0,0|1,0,0]=3 201 B7R0.4 NCCSCC(=O)O AT25571 [0,2,0,0,0,0|1,1,0]=4 202 B7R0.4 O=C(Cl)COCCCl AT18762 [0,2,0,0,0,0|1,0,0]=3 203 B7R0.4 OCCCOC(F)F 89959 [0,2,0,0,0,0|1,0,1]=4 204 B7R0.6 CC(C)OC[C@H](C)O T72421 [0,2,0,0,0,0|1,0,1]=4 205 B7R0.6 C[S+](C)CCC(=O)[O-] F16477 [0,2,0,0,0,0|2,0,0]=4 206 B7R0.8 CCCOS(=O)(=O)[O-] A11420 [0,2,0,0,0,0|1,0,0]=3 207 B7R0.1 C#CCOCCNC AT20730 [0,2,0,0,0,0|1,0,1]=4 208 B7R0.1 C=CCCCCCCl I11994 [0,2,0,0,0,0|2,0,0]=4 209 B7R0.1 C=CCCCCCO F14745 [0,2,0,0,0,0|2,0,0]=4 210 B7R0.1 C=CC\C=C\CCC T72633 [0,2,0,0,0,0|2,0,0]=4 211 B7R0.1 COCCOCCN F50617 [0,2,0,0,0,0|1,0,1]=4 212 B7R0.1 COCCOCCS AT10124 [0,2,0,0,0,0|0,1,1]=4 213 B7R0.1 C\C=C/CCCCC T72919 [0,2,0,0,0,0|2,0,0]=4 214 B7R0.1 O=CCCCCCCl 24359 [0,2,0,0,0,0|1,0,0]=3 215 B5R1.1 C1=NCCO1 F18129 [1,0,0,1,0,0|1,0,0]=3 216 B5R1.1 C1=NNCC1 F12428 [1,0,0,1,0,0|2,0,0]=4 217 B5R1.1 C1CNOC1 F14141 [1,0,0,1,0,0|1,0,0]=3 218 B5R1.2 C[C@H]1CCN1 71554 [1,0,0,1,0,0|1,0,1]=4 219 B5R1.2 O=C1CNC1 D87722 [1,0,0,1,0,0|1,0,0]=3 220 B5R1.3 C=CC1CC1 59738 [1,0,0,1,0,0|1,0,0]=3 221 B5R1.3 IC[C@H]1CO1 CS1242 [1,0,0,1,0,0|1,0,1]=4 222 B5R1.3 NNC1CC1 P19257 [1,0,0,1,0,0|2,0,0]=4 223 B5R1.3 SCC1CC1 AT12991 [1,0,0,1,0,0|0,1,1]=4 224 B5R1.4 C[C@H]1C[C@@H]1N 73029 [1,0,0,1,0,0|1,0,1]=4 225 B7R1.1 CCC1=CN=CO1 C77473 [0,1,0,1,0,0|1,0,1]=4 226 B7R1.1 CCC1=COC=N1 C77618 [0,1,0,1,0,0|1,0,1]=4 227 B7R1.1 CN[C@H]1CCOC1 P13110 [0,1,0,1,0,0|1,0,1]=4 228 B7R1.1 CN[C@H]1CCOC1 P13111 [0,1,0,1,0,0|1,0,1]=4 229 B7R1.1 ClC[C@H]1CCOC1 N12624 [0,1,0,1,0,0|1,0,1]=4 230 B7R1.1 NC[C@H]1CCOC1 68889 [0,1,0,1,0,0|1,0,1]=4 231 B7R1.2 CC1=N[C@@H](C)CS1 C92282 [0,1,0,1,0,0|1,1,0]=4 232 B7R1.2 CN1CCC(=O)C1 64219 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [0,1,0,1,0,0|1,0,0]=3 234 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,1,0,1,0,0|0,0,0]=2 235 B7R1.2 C[C@H]1CN=C(N)N1 AT25109 [0,1,0,1,0,0|2,0,0]=4 236 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [0,1,0,1,0,0|1,0,0]=3 237 B7R1.2 C[C@H]1COC(=O)N1 C77658 [0,1,0,1,0,0|0,0,0]=2 238 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [0,1,0,1,0,0|2,0,0]=4 240 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,1,0,1,0,0|1,0,0]=3 241 B7R1.2 O=C1C=C[C@@H](O)C1 86326 [0,1,0,1,0,0|1,0,1]=4 242 B7R1.2 O=C1CCC(=S)N1 N13285 [0,1,0,1,0,0|1,0,1]=4 243 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,1,0,1,0,0|1,0,0]=3 244 B7R1.2 O=C1CN[C@@H](S)S1 T72832 [0,1,0,1,0,0|1,1,0]=4 245 B7R1.2 O=C1C[C@H](S)CN1 39278 [0,1,0,1,0,0|1,0,0]=3 246 B7R1.3 BrC1=CCCNC1 D85784 [0,1,0,1,0,0|2,0,0]=4 247 B7R1.3 C=C1CCCNC1 W15931 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.3 C=C1CCNCC1 33821 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.3 CC1=CCOCC1 F17726 [0,1,0,1,0,0|1,0,1]=4 250 B7R1.3 ClC1=CCCCC1 FD10699 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.3 N[C@@H]1C=CCCC1 AB10372 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.3 N[C@@H]1CC=CCC1 AB8978 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.3 N[C@H]1CCCOC1 F31015 [0,1,0,1,0,0|1,0,1]=4 254 B7R1.3 N[C@H]1CCCOC1 P11042 [0,1,0,1,0,0|1,0,1]=4 255 B7R1.3 O=S1CCOCC1 A51207 [0,1,0,1,0,0|2,0,0]=4 256 B7R1.3 S=C1CCCCC1 N16924 [0,1,0,1,0,0|1,1,0]=4 257 B7R1.4 C[C@H]1CCNC1=O C74322 [0,1,0,1,0,0|1,0,0]=3 258 B7R1.4 C[C@H]1CNCC1=O F13737 [0,1,0,1,0,0|1,0,0]=3 259 B7R1.4 C[C@H]1COCC1=O AT13358 [0,1,0,1,0,0|0,0,0]=2 260 B7R1.4 N[C@H]1CCOC1=O S11138 [0,1,0,1,0,0|0,0,0]=2 261 B7R1.4 O=C1CCCC1=O AC2232 [0,1,0,1,0,0|1,0,0]=3 262 B7R1.5 C=CC[C@H]1C[C@@H]1O F50023 [0,1,0,1,0,0|2,0,0]=4 263 B7R1.8 N#C[C@H]1CCC1=O 98576 [0,1,0,1,0,0|1,0,1]=4 264 B7R1.10 C=C1CC(C=O)C1 55091 [0,1,0,1,0,0|1,0,1]=4 265 B7R1.10 CCC1CC(=O)C1 P12513 [0,1,0,1,0,0|1,0,0]=3 266 B7R1.10 NCC1CC(=O)C1 A12025 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.21 CCOC1(Br)CC1 F53374 [0,1,0,1,0,0|1,0,1]=4 268 B7R1.21 CCOC1(N)CC1 AT19095 [0,1,0,1,0,0|1,0,1]=4 269 B7R1.25 CC1(C=O)CCC1 90943 [0,1,0,1,0,0|1,0,0]=3 270 B7R1.7 NCCOC1CC1 AT11523 [0,1,0,1,0,0|1,0,1]=4 271 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F CS3444 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.12 NC(=O)[C@H]1C[C@@H]1F CS3447 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.14 C[C@]1(N)CCOC1 AT12753 [0,1,0,1,0,0|1,0,1]=4 274 B7R1.14 C[C@]1(O)CNOC1 A50949 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.14 C[C@]1(O)CNOC1 AT14854 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.14 O=S1(=O)NCCO1 38526 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.18 NC(=O)C1CNC1 E73179 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.18 NC(=O)C1COC1 D86258 [0,1,0,1,0,0|2,0,0]=4 279 B7R1.18 NC(=S)C1CCC1 N12939 [0,1,0,1,0,0|1,1,0]=4 280 B7R1.18 NC(=S)N1CCC1 AT24983 [0,1,0,1,0,0|1,1,0]=4 281 B7R1.20 CC(=O)CC1CC1 N12620 [0,1,0,1,0,0|1,0,0]=3 282 B7R1.20 N=C(N)NC1CC1 W18732 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.20 NC(N)=NC1CC1 D86252 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.24 C1=CCCNCC1 C13802 [0,1,0,1,0,0|2,0,0]=4