0 B7R0.7 CCCC(Cl)CCC S563323 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.7 CCCS(=O)CCC S440973 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.7 CCNC(=O)CC#N OTV000131 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.7 CCOC(=O)CCI T255378 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.7 CCOC(=O)CNC PH000310 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.7 CCOC(=O)CNN CDS009912 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.7 CCOC(=O)NNC PH007943 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.7 CCOC(=O)NOC PH005154 [0,0,0,0,0,0|1,1,0]=2 8 B7R0.7 CCOC(C)CCO S322008 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.7 CCOC(C)CNC CBR01487 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.7 CCSC(=O)SCC S189634 [0,0,0,0,0,0|2,1,0]=3 11 B7R0.7 CSCC(O)CSC R227919 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.1 CC/C=C(\C)/CC R289574 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 CC/C=C(\C)/CC R289582 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 CC/C=C(\C)/CO S888702 [1,0,0,0,0,0|2,1,0]=4 15 B6R0.1 CCC(=O)COC CDS024044 [1,0,0,0,0,0|0,1,0]=2 16 B6R0.1 CCC(=O)OCS PH000959 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.1 CCCC(N)CC CBR01120 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.1 CCNC(=O)CBr CBR01984 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 CCNC(=O)CCl TMT00299 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.1 CCNC(C)CC CBR00870 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.1 CCOC(=O)NC PH010865 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.1 CCOC(=O)N[O-] S859273 [1,0,0,0,0,0|1,1,0]=3 23 B6R0.1 CCOC(=S)S[TlH2] S828327 [1,0,0,0,0,0|1,1,0]=3 24 B6R0.1 CCSC(=O)CC CDS001498 [1,0,0,0,0,0|0,1,0]=2 25 B6R0.1 CC[C@H](N)COC PH019017 [1,0,0,0,0,0|1,1,1]=4 26 B6R0.1 CNCC(=O)NC CBR00235 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.1 CNCC(=O)OC PH006931 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.1 COC(=O)/C=C\I SYX00331 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.1 [Li]OC(=O)CCC S813958 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.6 CCCCCSC S357952 [1,0,0,0,0,0|1,0,1]=3 31 B6R0.6 CCCNCCC R580155 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.6 CCO/C=N\C#N ANV00247 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.6 CCOCC[Hg]Cl S564443 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.1 C#CCNC(=O)COC CDS023428 [0,1,0,0,0,0|1,1,1]=4 35 B8R0.1 C(=C/C(=O)OCC=C)\C S357375 [0,1,0,0,0,0|1,0,2]=4 36 B8R0.1 C=CCNC(=O)OCC S361445 [0,1,0,0,0,0|1,0,1]=3 37 B8R0.1 CC=CC(=O)NCCC T173770 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.1 CCCCC(=O)CCC S456489 [0,1,0,0,0,0|2,0,0]=3 39 B8R0.1 CCCNC(=O)NCC S805858 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.1 CCCNC(=O)OCC S361909 [0,1,0,0,0,0|1,0,0]=2 41 B8R0.1 CCOC(=O)CCC#N PH003642 [0,1,0,0,0,0|1,0,1]=3 42 B8R0.1 CCOC(=O)CCOC CDS025273 [0,1,0,0,0,0|0,1,0]=2 43 B8R0.1 CCOC(=O)CSC#N PH001910 [0,1,0,0,0,0|0,0,1]=2 44 B8R0.1 CCOC(=O)NCCO S391980 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.1 N#CCC(=O)NCCO S550701 [0,1,0,0,0,0|3,0,0]=4 46 B8R0.3 C#CC(O)C(=O)OCC CDS000110 [0,1,0,0,0,0|1,0,1]=3 47 B8R0.3 CCCC(=O)C(Br)CC PH011136 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.3 CCOC(=O)/C(=N/O)/C S942979 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.3 CCOC(=O)C(Cl)CC S918407 [0,1,0,0,0,0|1,0,0]=2 50 B8R0.3 CCOC(=O)C(F)CC S431370 [0,1,0,0,0,0|1,0,0]=2 51 B8R0.3 CCOC(=O)[C@H](N)CO PH015186 [0,1,0,0,0,0|2,0,0]=3 52 B8R0.5 C/C=C/C(=O)NC(C)C PH006962 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.5 CC(C)OC(=O)CC#N S615137 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.5 CCCC(=O)CC(=O)C S839566 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.5 CCOC(=O)CC(=O)C S813079 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.5 CCOC(=O)NC(=O)C S357308 [0,1,0,0,0,0|2,0,0]=3 57 B8R0.5 CCOC(=O)NC(C)C PH000346 [0,1,0,0,0,0|2,0,0]=3 58 B8R0.5 CCOC(=O)N[N+](=O)[O-] R580899 [0,1,0,0,0,0|3,0,0]=4 59 B8R0.22 CCCC(C=O)CCC PH014413 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.30 CCOP(=O)(O)OCC CDS000320 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.4 CC1CCOS(=O)O1 S359173 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.4 CC1CSCC(O1)C S347396 [0,0,0,1,0,0|1,0,1]=3 64 B8R1.4 NC1CCNC(=O)C1 CDS024233 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.4 O=C1CSCC(=O)N1 R305316 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.8 CCCC1=NCCO1 S396397 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.8 CCCC1OCCO1 S364665 [0,0,0,1,0,0|1,0,2]=4 68 B8R1.8 CCOC1CCNC1 CDS023169 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.11 CCC1CCNC1=O CBR01663 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.11 N#CC1CCCC1=O CDS020714 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.11 O=C1CCCN1CO S362557 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.18 CC1=C(OC(=O)O1)C TMT00459 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,0,0,1,0,0|1,0,0]=2 74 B8R1.22 CC1CCCCCO1 T168866 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.22 O=C1CCSCCN1 SYX00233 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.22 O=C1CNCCCN1 CDS019453 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.22 O=C1CSCCSC1 CBR01192 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.22 OC1CCCCCO1 S866032 [0,0,0,1,0,0|1,0,2]=4 79 B8R1.37 CCCC(=O)N1CC1 S406996 [0,0,0,1,0,0|2,0,0]=3 80 B5R0.1 C=C(C)CSC S866024 [2,0,0,0,0,0|1,0,0]=3 81 B5R0.1 C=COC(=O)C S458201 [2,0,0,0,0,0|0,0,2]=4 82 B5R0.1 CC(=O)CCN OTV000740 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.1 CCOC(=S)N PH003667 [2,0,0,0,0,0|1,0,1]=4 84 B5R0.1 CCOC(=S)[S-] R464988 [2,0,0,0,0,0|0,1,1]=4 85 B5R0.1 CCOC(=S)[S-] R533475 [2,0,0,0,0,0|0,1,1]=4 86 B5R0.1 CNCC(=O)C CBR02406 [2,0,0,0,0,0|1,0,0]=3 87 B5R0.1 COCC(=O)N S371874 [2,0,0,0,0,0|1,1,0]=4 88 B5R0.1 CSCC(=N)N OTV000870 [2,0,0,0,0,0|2,0,0]=4 89 B5R0.1 O=C(O)C[Hg]Cl S881910 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.2 CCCCSC S447420 [2,0,0,0,0,0|0,0,1]=3 91 B5R0.2 CCCNCC CDS000615 [2,0,0,0,0,0|1,0,1]=4 92 B5R0.2 CCCOCC CDS000380 [2,0,0,0,0,0|0,0,1]=3 93 B5R0.2 CCNNCC S814563 [2,0,0,0,0,0|2,0,0]=4 94 B5R0.2 CCOCCN CDS000379 [2,0,0,0,0,0|1,0,1]=4 95 B5R0.2 COCCSC S698245 [2,0,0,0,0,0|0,0,1]=3 96 B5R0.3 CCC(=O)CO R277614 [2,0,0,0,0,0|0,1,0]=3 97 B5R0.3 CCC(N)CC TMT00064 [2,0,0,0,0,0|1,0,1]=4 98 B5R0.3 CCN(O)CC S623067 [2,0,0,0,0,0|1,0,1]=4 99 B5R0.3 CC[Tl](Br)CC S837075 [2,0,0,0,0,0|2,0,0]=4 100 B5R0.3 CC[Tl](I)CC S837083 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.3 CNC(=O)CCl OTV000964 [2,0,0,0,0,0|2,0,0]=4 102 B7R0.2 CC(C)OC(=O)CS S593931 [1,1,0,0,0,0|0,0,0]=2 103 B7R0.2 CC(C)OC(=O)NF PH009513 [1,1,0,0,0,0|2,0,0]=4 104 B7R0.2 CCC(=O)OC(C)C CDS000574 [1,1,0,0,0,0|0,0,0]=2 105 B7R0.2 COC(=O)/C=C(/C)\N S613886 [1,1,0,0,0,0|1,0,1]=4 106 B7R0.2 COC(=O)/C=C(\C)/[O-] S586625 [1,1,0,0,0,0|1,0,1]=4 107 B7R0.2 COC(=O)CC(=O)O CDS001491 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.2 COC(=O)CC(C)Cl S559458 [1,1,0,0,0,0|1,0,0]=3 109 B7R0.2 COC(=O)NC(C)C PH006940 [1,1,0,0,0,0|1,1,0]=4 110 B7R0.3 C(=C(/C)\CC)\CCO T295590 [1,1,0,0,0,0|2,0,0]=4 111 B7R0.3 C=C(CC)CCCC CDS000215 [1,1,0,0,0,0|2,0,0]=4 112 B7R0.3 C=CCOC(=O)CBr PH008698 [1,1,0,0,0,0|1,0,1]=4 113 B7R0.3 CCC#CC(=O)OC T242845 [1,1,0,0,0,0|1,0,1]=4 114 B7R0.3 CCCNC(=O)CCl OTV000047 [1,1,0,0,0,0|2,0,0]=4 115 B7R0.3 CCCOC(=O)CBr PH011324 [1,1,0,0,0,0|1,0,0]=3 116 B7R0.3 CCCOC(=O)CCl S431443 [1,1,0,0,0,0|1,0,0]=3 117 B7R0.3 CCCOC(=O)CN PH019063 [1,1,0,0,0,0|1,0,0]=3 118 B7R0.3 CCOCC(=O)OC EME00071 [1,1,0,0,0,0|0,1,0]=3 119 B7R0.3 CCSCS(=O)CC S697834 [1,1,0,0,0,0|1,0,0]=3 120 B7R0.3 CNC(=O)OCCCl L163082 [1,1,0,0,0,0|1,0,0]=3 121 B7R0.3 CNC(=O)OCCO S392650 [1,1,0,0,0,0|1,0,0]=3 122 B7R0.3 CNCCC(=O)NC CBR01261 [1,1,0,0,0,0|2,0,0]=4 123 B7R0.3 COC(=O)CCC#N S369640 [1,1,0,0,0,0|1,0,1]=4 124 B7R0.3 NNC(=O)OCCO S749680 [1,1,0,0,0,0|2,0,0]=4 125 B7R0.5 C=C(CCC)C(C)C R289221 [1,1,0,0,0,0|2,0,0]=4 126 B7R0.5 CC/C=C(\C)/C(C)C R289558 [1,1,0,0,0,0|2,0,0]=4 127 B7R0.5 CCOC(=O)C(Br)Br PH011431 [1,1,0,0,0,0|1,0,0]=3 128 B7R0.5 CCOC(=O)C(C)N CDS015013 [1,1,0,0,0,0|0,0,0]=2 129 B7R0.5 CCOC(=O)N(C)C PH001938 [1,1,0,0,0,0|1,0,0]=3 130 B7R0.5 CCOC(=O)N(C)N PH007944 [1,1,0,0,0,0|1,0,0]=3 131 B7R0.5 CNCC(=O)N(C)C CDS007544 [1,1,0,0,0,0|2,0,0]=4 132 B7R0.5 COCC(=O)C(C)C CDS024045 [1,1,0,0,0,0|0,1,0]=3 133 B7R0.5 CSCC(=O)N(C)C PH007257 [1,1,0,0,0,0|1,0,0]=3 134 B7R0.10 C/C=C(\C)/C(=O)OC CDS001207 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.10 CCC(=O)C(O)CC CDS000463 [1,1,0,0,0,0|1,0,0]=3 136 B7R0.10 CNC(C)C(=O)OC CBR01417 [1,1,0,0,0,0|1,0,0]=3 137 B7R0.10 CN[C@@H](C)C(=O)OC CDS015644 [1,1,0,0,0,0|1,0,0]=3 138 B7R0.10 COC(=O)[C@H](N)CS PH013124 [1,1,0,0,0,0|2,0,0]=4 139 B7R0.12 CCOC(CC)CN CBR01063 [1,1,0,0,0,0|1,0,1]=4 140 B7R0.1 CCSCCSCC S347876 [1,1,0,0,0,0|0,1,1]=4 141 B7R0.1 COCCOCCN CDS022898 [1,1,0,0,0,0|0,1,1]=4 142 B7R0.4 CC/C=C/CC(C)C R289604 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.4 CCC/C=C/C(C)C R289590 [1,1,0,0,0,0|2,0,0]=4 144 B7R0.4 CCC/C=C/C(C)C S369713 [1,1,0,0,0,0|2,0,0]=4 145 B7R0.4 CSCCOC(=O)C S375721 [1,1,0,0,0,0|0,0,2]=4 146 B9R0.4 CC(=O)CC(=O)OCCCl PH003373 [0,2,0,0,0,0|1,0,0]=3 147 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [0,2,0,0,0,0|2,0,0]=4 148 B9R0.4 CCCCC(=O)CC(=O)C S839590 [0,2,0,0,0,0|2,0,0]=4 149 B9R0.4 CCCNC(=O)CC(=O)C R466107 [0,2,0,0,0,0|2,0,0]=4 150 B9R0.4 CCCOC(=O)CC(=O)C CDS000562 [0,2,0,0,0,0|1,0,0]=3 151 B9R0.5 C=CCONC(=O)OCC T300969 [0,2,0,0,0,0|1,0,1]=4 152 B9R0.5 CCCCCC(=O)CCC S411825 [0,2,0,0,0,0|2,0,0]=4 153 B9R0.5 CCCCNC(=O)CCC EME00389 [0,2,0,0,0,0|2,0,0]=4 154 B9R0.5 CCCCNC(=O)CNC CBR01986 [0,2,0,0,0,0|2,0,0]=4 155 B9R0.5 CCCCNC(=O)NCC S802077 [0,2,0,0,0,0|2,0,0]=4 156 B9R0.5 CCCCNC(=O)OCC S406988 [0,2,0,0,0,0|1,0,0]=3 157 B9R0.5 CCNC(=O)NCCCO S804738 [0,2,0,0,0,0|2,0,0]=4 158 B9R0.5 CCNC(=O)NCCOC S804746 [0,2,0,0,0,0|1,1,0]=4 159 B9R0.5 CCOC(=O)CCCCI S677175 [0,2,0,0,0,0|1,0,0]=3 160 B9R0.5 CCOC(=O)CCCCN CDS023812 [0,2,0,0,0,0|1,0,0]=3 161 B9R0.5 CCOC(=O)CCN=C=S CDS000897 [0,2,0,0,0,0|1,0,1]=4 162 B9R0.5 CCOC(=O)NCCCBr PH001320 [0,2,0,0,0,0|1,0,0]=3 163 B9R0.5 [C-]#[N+]CCCC(=O)OCC PH015035 [0,2,0,0,0,0|1,0,0]=3 164 B9R0.8 CCCCC(=O)C(C)CC S431486 [0,2,0,0,0,0|2,0,0]=4 165 B9R0.8 CCCOC(=O)C(C)CC CDS000542 [0,2,0,0,0,0|1,0,0]=3 166 B9R0.18 O=C(CCCO)NCCO PH008175 [0,2,0,0,0,0|2,0,0]=4 167 B9R0.18 O=C(NCCCl)OCCCl R416347 [0,2,0,0,0,0|2,0,0]=4 168 B9R0.18 [NH2+](CC)CC(=O)OCC=C R240648 [0,2,0,0,0,0|1,0,1]=4 169 B9R0.34 C#C[C@@H](N)CC(=O)OCC PH016355 [0,2,0,0,0,0|1,0,1]=4 170 B9R0.34 C(=C(/C)\NC)\C(=O)OCC S373435 [0,2,0,0,0,0|1,0,1]=4 171 B9R0.34 CCOC(=O)CN(C)C#N S348236 [0,2,0,0,0,0|1,0,0]=3 172 B9R0.35 CCCC(=O)C(O)CCC S705500 [0,2,0,0,0,0|2,0,0]=4 173 B9R0.35 CCC[C@H](N)C(=O)OCC CDS021016 [0,2,0,0,0,0|1,0,0]=3 174 B9R0.35 CCOC(=O)C(C)N=C=O PH010972 [0,2,0,0,0,0|1,0,1]=4 175 B9R0.48 C=C(C)CNC(=O)NCC S805793 [0,2,0,0,0,0|2,0,0]=4 176 B9R0.48 C=C(C)CNC(=O)OCC S36022 [0,2,0,0,0,0|1,0,0]=3 177 B9R0.48 C=C(Cl)CCC(=O)OCC T277177 [0,2,0,0,0,0|1,0,1]=4 178 B9R0.6 CCOC(=O)C(Br)C(C)Br S361623 [0,2,0,0,0,0|1,0,0]=3 179 B9R0.6 CCOC(=O)C(Br)C(C)C CDS001494 [0,2,0,0,0,0|1,0,0]=3 180 B9R0.19 C=CC(C)(C)C(=O)OCC T214299 [0,2,0,0,0,0|1,0,1]=4 181 B9R0.19 CCOC(=O)C(C)(Br)CBr S361631 [0,2,0,0,0,0|2,0,0]=4 182 B9R0.19 CCOC(=O)C(C)(C)C#N S762083 [0,2,0,0,0,0|2,0,0]=4 183 B9R0.19 CCOC(=O)C(C)(C)CN CDS009124 [0,2,0,0,0,0|2,0,0]=4 184 B9R0.23 CC(C)OC(=O)C(N)CO S949876 [0,2,0,0,0,0|2,0,0]=4 185 B9R0.37 CCCC(=O)C(CC)CC S504769 [0,2,0,0,0,0|2,0,0]=4 186 B9R0.37 CCOC(=O)/C(=N/O)/CC S837296 [0,2,0,0,0,0|1,0,1]=4 187 B9R0.37 CCOC(=O)C(CC)CN PH016204 [0,2,0,0,0,0|1,0,0]=3 188 B9R0.37 CCOC(=O)N(CC)OC PH008534 [0,2,0,0,0,0|1,1,0]=4 189 B9R0.44 CCCC(=O)OC(C)(C)C PH007526 [0,2,0,0,0,0|1,0,0]=3 190 B9R0.44 CCOC(=O)CC(C)(C)C S547093 [0,2,0,0,0,0|1,0,0]=3 191 B9R0.44 CCOC(=O)CS(=O)(=O)[O-] T176354 [0,2,0,0,0,0|1,0,1]=4 192 B9R0.53 C/C(=C/C(=O)OC(C)C)/N R276480 [0,2,0,0,0,0|1,0,1]=4 193 B9R0.15 CC/C=C(\CCC)/C(=O)O PH002965 [0,2,0,0,0,0|2,0,0]=4 194 B9R0.17 CCOC(CSC)OCC S379662 [0,2,0,0,0,0|0,0,2]=4 195 B7R1.1 COC1=NCCC1 PH000359 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.2 CC1COC(=O)C1 PH007953 [1,0,0,1,0,0|1,0,0]=3 197 B7R1.2 CC1COC(=O)N1 CBR01603 [1,0,0,1,0,0|1,1,0]=4 198 B7R1.2 CC1COS(=O)O1 S409928 [1,0,0,1,0,0|1,1,0]=4 199 B7R1.2 CC1OC(=O)CS1 PH007278 [1,0,0,1,0,0|0,0,0]=2 200 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [1,0,0,1,0,0|1,1,0]=4 201 B7R1.2 O=C1CC(CO1)O S672874 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.3 CC1=NCCCS1 PH000571 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.3 IC1=CCCCC1 PH008510 [1,0,0,1,0,0|2,0,0]=4 205 B7R1.3 O=C1CCCNC1 CDS006090 [1,0,0,1,0,0|1,0,0]=3 206 B7R1.3 O=C1COCCN1 T160245 [1,0,0,1,0,0|1,1,0]=4 207 B7R1.3 O=C1COCCO1 PH009771 [1,0,0,1,0,0|0,1,0]=3 208 B7R1.3 O=C1CSCCN1 PH010392 [1,0,0,1,0,0|1,0,0]=3 209 B7R1.3 O=C1NCCCN1 S436712 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.3 O=C1NCCCO1 CBR00063 [1,0,0,1,0,0|1,0,0]=3 211 B7R1.3 O=C1OCCCO1 S939668 [1,0,0,1,0,0|0,1,0]=3 212 B7R1.3 O=S1CCCSC1 S885002 [1,0,0,1,0,0|1,0,0]=3 213 B7R1.3 OC1CCCSC1 S461172 [1,0,0,1,0,0|0,0,2]=4 214 B7R1.4 CN1CCNC1=O CDS006142 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.4 NC1CCOC1=O CDS012715 [1,0,0,1,0,0|1,0,0]=3 216 B7R1.4 NC1CCSC1=O S784036 [1,0,0,1,0,0|1,1,0]=4 217 B7R1.4 NN1CCOC1=O S462624 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.4 N[C@H]1CCNC1=O CDS010107 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [1,0,0,1,0,0|1,1,0]=4 220 B7R1.15 CC1NC(=O)C1C T173835 [1,0,0,1,0,0|1,0,0]=3 221 B7R1.15 CC1NC(=O)C1C T173843 [1,0,0,1,0,0|1,0,0]=3 222 B7R1.22 CCC(=O)C1CC1 CDS023679 [1,0,0,1,0,0|1,0,0]=3 223 B7R1.22 CNC(=O)C1CC1 S261831 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.22 COC(=O)N1CC1 T175501 [1,0,0,1,0,0|1,1,0]=4 225 B7R1.22 O=C(CBr)C1CC1 TMT00623 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.24 C1CNCCOC1 CDS001609 [1,0,0,1,0,0|1,0,1]=4 227 B7R1.24 C1CNCCSC1 SYX00228 [1,0,0,1,0,0|1,0,1]=4 228 B9R1.2 C(=O)C1=CC(CCC1)C S895652 [0,1,0,1,0,0|2,0,0]=4 229 B9R1.2 C=CC1CCCC(=O)O1 T220795 [0,1,0,1,0,0|1,0,1]=4 230 B9R1.2 CCC1COCC(=O)N1 CBR01631 [0,1,0,1,0,0|1,1,0]=4 231 B9R1.22 CCN1CC(CC1=O)N CBR00819 [0,1,0,1,0,0|2,0,0]=4 232 B9R1.27 CCN1C(=O)CSC1=S PH009981 [0,1,0,1,0,0|1,0,1]=4 233 B9R1.33 C=CCC1CCOC1=O T230685 [0,1,0,1,0,0|1,0,1]=4 234 B9R1.33 NCCN1CCOC1=O CBR01024 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.33 O=C1CCCN1CCBr CDS019689 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.33 O=C1OCCN1CCO CDS013723 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.49 CN1CCNC(=O)CC1 T298867 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.50 O=C1CC=CCCOC1 T168858 [0,1,0,1,0,0|1,0,1]=4 239 B9R1.90 CCC1NC(=O)C1CC T173827 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.183 CCOC(=O)C1CC1C R425907 [0,1,0,1,0,0|1,0,0]=3 241 B9R1.183 CCOC(=O)C1OC1C S462349 [0,1,0,1,0,0|0,1,0]=3 242 B9R1.3 CC1CCCC(=O)C1C CDS023514 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.5 N[C@@H]1CCCCNC1=O CDS006947 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.5 O=C1CCCCCC1=O PH003588 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.74 CCOC(=O)C1(CC1)C PH015344 [0,1,0,1,0,0|1,0,0]=3 246 B9R1.74 CCOC(=O)C1(CC1)N MNO000004 [0,1,0,1,0,0|1,0,0]=3 247 B9R1.34 CC1CC(=O)CC(C1)C S419052 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.38 CC1CC(=O)NC1(C)C CBR01605 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.41 CC(C)C1CCCC1=O CDS023294 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.137 CC(=O)CC(=O)C1CC1 SYX00054 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.137 CC(C)NC(=O)C1CC1 R156906 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.137 CC(C)NC(=O)C1CC1 S619825 [0,1,0,1,0,0|2,0,0]=4 253 B9R2.109 O=C1CCCC2C1C2 T179566 [0,0,0,2,0,0|2,0,0]=4 254 B9R2.7 [C@H]12CCC[C@H]1C(=O)N2 T191981 [0,0,0,2,0,0|2,0,0]=4 255 B9R2.20 [C@H]12CCC(=O)[C@H]1CC2 T177652 [0,0,0,2,0,0|2,0,0]=4