0 B7R0.5 C=C(CCC)C(C)C R289221 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.5 CC(=O)C(Cl)CCO S561894 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.5 CC(=O)N(C)CCN PH019599 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.5 CC(=O)N(C)CCO CBR01454 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.5 CC/C=C(\C)/C(C)C R289558 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.5 CCCC(=C(C)C)C R289469 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.5 CCN[C@@H](C)C(=O)N CDS021310 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.5 CCOC(=O)C(Br)Br PH011431 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.5 CCOC(=O)C(C)N CDS015013 [0,0,0,0,0,0|1,0,1]=2 9 B7R0.5 CCOC(=O)N(C)C PH001938 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.5 CCOC(=O)N(C)N PH007944 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.5 CCOC(C)C(=O)O CBR01494 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.5 CCSC(C)C(=O)O CBR01403 [0,0,0,0,0,0|2,1,1]=4 13 B7R0.5 CN(C)C(=O)CCN CBR00920 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.5 CNCC(=O)N(C)C CDS007544 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.5 CO/C=C(\C)/C(=O)O PH008422 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.5 COCC(=O)C(C)C CDS024045 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.5 CSCC(=O)N(C)C PH007257 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.1 CC/C=C(\C)/CC R289574 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.1 CC/C=C(\C)/CC R289582 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.1 CCC(=O)COC CDS024044 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.1 CCC(=O)OCS PH000959 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.1 CCNC(=O)CBr CBR01984 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.1 CCNC(=O)CCl TMT00299 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.1 CCOC(=O)NC PH010865 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.1 CCOC(=O)N[O-] S859273 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.1 CCOC(=S)S[TlH2] S828327 [1,0,0,0,0,0|2,1,0]=4 27 B6R0.1 CCSC(=O)CC CDS001498 [1,0,0,0,0,0|0,1,1]=3 28 B6R0.1 CNCC(=O)NC CBR00235 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.1 CNCC(=O)OC PH006931 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.1 [Li]OC(=O)CCC S813958 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.3 C/C=C(/Br)\C(=O)O S864633 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.3 CC(=O)/C(=C/Cl)/Cl PH011277 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.3 CC(=O)/C(=C/[O-])/C S808946 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.3 CCC(C)C(=O)N S799637 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.3 CCC(N)C(=O)N S784044 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.3 CCC(O)C(=O)O CDS000492 [1,0,0,0,0,0|1,0,2]=4 37 B6R0.3 CCC(O)C(=O)[O-] CDS000457 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.3 CN(C)C(=O)CBr CDS023710 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.3 CN(C)C(=O)CO CDS023758 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.3 CNC(=O)[C@H](C)N CDS020776 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.3 COC(=O)C(C)N S378909 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.3 CO[C@@H](C)C(=O)O CDS005685 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.3 O=C(O)C(=O)O[Cs] S366196 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.4 CC(=O)NCCCl CDS001220 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.4 CC(=O)OCCS S363049 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.4 CC/C=C/C(=O)Cl PH009861 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.4 CCC#CC(=O)C CDS000006 [1,0,0,0,0,0|1,0,1]=3 48 B6R0.4 CCCC=C(C)C S419117 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.4 CCCSC(=O)C CDS000298 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.4 CCNCC(=O)N S877379 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.4 CCNCC(=O)N S986194 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.4 CCSCC(=O)C S614262 [1,0,0,0,0,0|0,1,1]=3 53 B6R0.4 CO/N=C/C(=O)O CDS023875 [1,0,0,0,0,0|3,0,0]=4 54 B8R0.2 CCC(Br)C(=O)N(C)C PH009303 [0,1,0,0,0,0|3,0,0]=4 55 B8R0.2 CCC(C)C(=O)C(=O)O CDS000039 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.2 CCC(C)C(=O)C(C)C S431117 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.3 C#CC(O)C(=O)OCC CDS000110 [0,1,0,0,0,0|0,0,3]=4 58 B8R0.3 C(=C(\C)/C(=O)OC)\CCl T297852 [0,1,0,0,0,0|3,0,0]=4 59 B8R0.3 CCCC(=O)C(Br)CC PH011136 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.3 CCCC(O)C(=O)CC PH008572 [0,1,0,0,0,0|1,0,2]=4 61 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.3 CCOC(=O)/C(=N/O)/C S942979 [0,1,0,0,0,0|0,0,1]=2 63 B8R0.3 CCOC(=O)C(Cl)CC S918407 [0,1,0,0,0,0|1,0,1]=3 64 B8R0.3 CCOC(=O)C(F)CC S431370 [0,1,0,0,0,0|1,0,1]=3 65 B8R0.3 CCOC(=O)[C@H](N)CO PH015186 [0,1,0,0,0,0|1,0,1]=3 66 B8R0.8 CCC/C=C(\C)/C(=O)O CDS000408 [0,1,0,0,0,0|3,0,0]=4 67 B8R0.8 CCCCC(=O)N(C)C S939811 [0,1,0,0,0,0|3,0,0]=4 68 B8R0.8 CN(C)C(=O)CCCN CBR00927 [0,1,0,0,0,0|3,0,0]=4 69 B8R0.8 COCCC(=O)C(C)C CDS024032 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.12 CCCC(C)(C)C(=O)C PH011400 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.12 CCCC(C)(O)C(=O)C PH007070 [0,1,0,0,0,0|1,0,2]=4 72 B8R0.14 CCCC(=O)C(C)(C)C CDS021484 [0,1,0,0,0,0|2,0,1]=4 73 B8R0.14 CCNC(=O)C(C)(C)O S536970 [0,1,0,0,0,0|1,0,2]=4 74 B8R0.23 C/C(=C\C(C)C)/C(=O)O CDS001260 [0,1,0,0,0,0|3,0,0]=4 75 B8R0.23 CC(=O)ON(C)C(=O)C S295159 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.23 CC(C)OC(=O)N(F)F PH009514 [0,1,0,0,0,0|3,0,0]=4 77 B8R0.23 CC(C)OC(C)C(=O)O CBR00291 [0,1,0,0,0,0|2,0,1]=4 78 B8R1.5 CC1SCCNC1=O R305707 [0,0,0,1,0,0|1,1,1]=4 79 B8R1.5 FC1=C(CCCC1)Br S896187 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.5 N1CCNC(=O)C1=O S15025 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.5 NC1CCCNC1=O CDS020148 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.7 CC(N)C1=CCCO1 PH018924 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.18 CC1=NC(OC1C)C CDS001470 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.18 CC1CC(C(=O)O1)C S327565 [0,0,0,1,0,0|1,0,1]=3 86 B8R1.37 CCCC(=O)N1CC1 S406996 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.54 CC(C)C(=O)C1CC1 CDS023680 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.54 CC(C)C(=O)N1CC1 S432822 [0,0,0,1,0,0|2,0,1]=4 89 B8R0.5 CC/C=C(\C)/C=C(C)C T181536 [0,0,0,0,0,1|3,0,0]=4 90 B8R0.5 CCCC(=O)CC(=O)C S839566 [0,0,0,0,0,1|1,0,0]=2 91 B8R0.5 CCO/C(=C/C(=O)O)/C S885061 [0,0,0,0,0,1|2,0,0]=3 92 B8R0.5 CCOC(=O)CC(=O)C S813079 [0,0,0,0,0,1|0,0,0]=1 93 B8R0.5 CCOC(=O)NC(=O)C S357308 [0,0,0,0,0,1|0,0,0]=1 94 B8R0.5 CCOC(=O)NC(C)C PH000346 [0,0,0,0,0,1|1,0,1]=3 95 B8R0.5 CCOC(=O)N[N+](=O)[O-] R580899 [0,0,0,0,0,1|2,0,0]=3 96 B5R0.1 C=COC(=O)C S458201 [2,0,0,0,0,0|0,0,2]=4 97 B5R0.1 CC(=O)/C=C\N S312274 [2,0,0,0,0,0|1,0,1]=4 98 B5R0.1 CC(=O)CCN OTV000740 [2,0,0,0,0,0|1,0,1]=4 99 B5R0.1 CCOC(=S)N PH003667 [2,0,0,0,0,0|1,1,0]=4 100 B5R0.1 CCOC(=S)[S-] R464988 [2,0,0,0,0,0|0,2,0]=4 101 B5R0.1 CCOC(=S)[S-] R533475 [2,0,0,0,0,0|0,2,0]=4 102 B5R0.1 CNCC(=O)C CBR02406 [2,0,0,0,0,0|1,0,1]=4 103 B5R0.1 COCC(=O)N S371874 [2,0,0,0,0,0|1,0,1]=4 104 B5R0.1 CONC(=O)N S802999 [2,0,0,0,0,0|2,0,0]=4 105 B5R0.2 CCCOCC CDS000380 [2,0,0,0,0,0|0,0,2]=4 106 B5R0.3 CCC(=O)CO R277614 [2,0,0,0,0,0|0,0,2]=4 107 B5R0.3 CNC(=O)CCl OTV000964 [2,0,0,0,0,0|2,0,0]=4 108 B5R0.5 C=C(C)C(=O)C CDS000556 [2,0,0,0,0,0|1,0,0]=3 109 B5R0.5 C=C(C)C(=O)[O-] S457930 [2,0,0,0,0,0|1,0,1]=4 110 B5R0.5 C=C(C)C(=O)[O-] S460389 [2,0,0,0,0,0|1,0,1]=4 111 B5R0.5 C=C(C)C(=O)[O-] S461806 [2,0,0,0,0,0|1,0,1]=4 112 B5R0.5 CC(=O)C(C)F CDS002853 [2,0,0,0,0,0|1,0,1]=4 113 B5R0.5 O=C(O)C(=O)O S647829 [2,0,0,0,0,0|1,0,0]=3 114 B7R0.2 CC(C)OC(=O)CS S593931 [1,1,0,0,0,0|0,1,1]=4 115 B7R0.2 CC(C)OC(=O)NF PH009513 [1,1,0,0,0,0|2,0,0]=4 116 B7R0.2 CCC(=O)OC(C)C CDS000574 [1,1,0,0,0,0|0,0,1]=3 117 B7R0.2 COC(=O)CC(C)Cl S559458 [1,1,0,0,0,0|2,0,0]=4 118 B7R0.2 COC(=O)NC(C)C PH006940 [1,1,0,0,0,0|2,0,0]=4 119 B7R0.3 C(=O)C(=C)CCCC R425885 [1,1,0,0,0,0|2,0,0]=4 120 B7R0.3 C=CCOC(=O)C=C S459836 [1,1,0,0,0,0|0,0,2]=4 121 B7R0.3 CCC#CC(=O)OC T242845 [1,1,0,0,0,0|2,0,0]=4 122 B7R0.3 CCCOC(=O)CBr PH011324 [1,1,0,0,0,0|1,0,1]=4 123 B7R0.3 CCCOC(=O)CCl S431443 [1,1,0,0,0,0|1,0,1]=4 124 B7R0.3 CCCOC(=O)CN PH019063 [1,1,0,0,0,0|1,0,1]=4 125 B7R0.3 CCOCC(=O)OC EME00071 [1,1,0,0,0,0|1,0,0]=3 126 B7R0.3 CNC(=O)OCCCl L163082 [1,1,0,0,0,0|1,0,0]=3 127 B7R0.3 CNC(=O)OCCO S392650 [1,1,0,0,0,0|1,0,0]=3 128 B7R0.3 CNCCC(=O)NC CBR01261 [1,1,0,0,0,0|2,0,0]=4 129 B7R0.3 NNC(=O)OCCO S749680 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.7 CCOC(=O)CCI T255378 [1,1,0,0,0,0|0,0,1]=3 131 B7R0.7 CCOC(=O)CNC PH000310 [1,1,0,0,0,0|0,0,1]=3 132 B7R0.7 CCOC(=O)CNN CDS009912 [1,1,0,0,0,0|1,0,1]=4 133 B7R0.7 CCOC(=O)NNC PH007943 [1,1,0,0,0,0|1,0,0]=3 134 B7R0.7 CCOC(=O)NOC PH005154 [1,1,0,0,0,0|1,0,0]=3 135 B7R0.7 CCSC(=O)SCC S189634 [1,1,0,0,0,0|0,1,1]=4 136 B7R0.10 CCC(=O)C(O)CC CDS000463 [1,1,0,0,0,0|1,0,1]=4 137 B7R0.13 CCC(C)(O)C(=O)C PH007065 [1,1,0,0,0,0|0,0,2]=4 138 B7R0.15 CC(=O)/C(=N/O)/CCl PH000849 [1,1,0,0,0,0|1,0,1]=4 139 B7R0.15 CC/C(=N/O)/C(=O)O S283916 [1,1,0,0,0,0|1,0,1]=4 140 B7R0.15 CCC(CC)C(=O)C PH016168 [1,1,0,0,0,0|1,0,1]=4 141 B7R0.16 CC(N)C(=O)N(C)C CBR01336 [1,1,0,0,0,0|2,0,0]=4 142 B7R0.16 CC(O)C(=O)N(C)C CDS021721 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.16 CN(C)C(=O)C(=O)O CDS003371 [1,1,0,0,0,0|2,0,0]=4 144 B7R0.4 C#CCOCC(=O)C S38874 [1,1,0,0,0,0|0,0,2]=4 145 B7R0.4 C/C(=C\CCCBr)/Br S877557 [1,1,0,0,0,0|2,0,0]=4 146 B7R0.4 CC(=O)NCCCO OTV000276 [1,1,0,0,0,0|2,0,0]=4 147 B7R0.4 CC(=O)OCCCS S786683 [1,1,0,0,0,0|2,0,0]=4 148 B7R0.4 CCC/C=C/C(=O)C CDS001219 [1,1,0,0,0,0|1,0,0]=3 149 B7R0.4 CCC/C=C/C(=O)N PH008310 [1,1,0,0,0,0|2,0,0]=4 150 B7R0.4 CCCCNC(=O)C CDS013581 [1,1,0,0,0,0|1,0,1]=4 151 B7R0.4 CCO/C=C/C(=O)O CDS016341 [1,1,0,0,0,0|1,0,0]=3 152 B7R0.4 CCOCCC(=O)O S448745 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.4 CSCCOC(=O)C S375721 [1,1,0,0,0,0|2,0,0]=4 154 B7R0.4 NC(=O)COCCO S449792 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.4 NCCOCC(=O)O T160229 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.6 CC(C)/C=C/C(=O)O CDS003369 [1,1,0,0,0,0|2,0,0]=4 157 B9R0.4 CC(=O)CC(=O)OCCCl PH003373 [0,1,0,0,0,1|0,0,0]=2 158 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [0,1,0,0,0,1|1,0,0]=3 159 B9R0.4 CCCCC(=O)CC(=O)C S839590 [0,1,0,0,0,1|1,0,0]=3 160 B9R0.4 CCCNC(=O)CC(=O)C R466107 [0,1,0,0,0,1|1,0,0]=3 161 B9R0.4 CCCOC(=O)CC(=O)C CDS000562 [0,1,0,0,0,1|0,0,0]=2 162 B9R0.4 CCCOC(=O)N[N+](=O)[O-] R647373 [0,1,0,0,0,1|2,0,0]=4 163 B9R0.6 CCOC(=O)C(Br)C(C)Br S361623 [0,1,0,0,0,1|1,0,1]=4 164 B9R0.6 CCOC(=O)C(Br)C(C)C CDS001494 [0,1,0,0,0,1|1,0,1]=4 165 B9R0.34 C(=C(/C)\NC)\C(=O)OCC S373435 [0,1,0,0,0,1|1,0,0]=3 166 B9R0.34 CCNC(=O)NC(=O)CCl R238694 [0,1,0,0,0,1|1,0,0]=3 167 B9R0.34 CCOC(=O)CN(C)C#N S348236 [0,1,0,0,0,1|2,0,0]=4 168 B9R0.44 CCOC(=O)CC(C)(C)C S547093 [0,1,0,0,0,1|1,0,1]=4 169 B9R0.44 CCOC(=O)CS(=O)(=O)[O-] T176354 [0,1,0,0,0,1|2,0,0]=4 170 B9R0.53 C/C(=C/C(=O)OC(C)C)/N R276480 [0,1,0,0,0,1|1,0,0]=3 171 B9R0.8 C=CCOC(=O)C(=O)OC PH008416 [0,2,0,0,0,0|0,0,1]=3 172 B9R0.8 CCCOC(=O)C(C)CC CDS000542 [0,2,0,0,0,0|1,0,1]=4 173 B9R0.19 C=CC(C)(C)C(=O)OCC T214299 [0,2,0,0,0,0|1,0,1]=4 174 B9R0.19 CCOC(=O)C(C)(Br)CBr S361631 [0,2,0,0,0,0|1,0,1]=4 175 B9R0.19 CCOC(=O)C(C)(C)C#N S762083 [0,2,0,0,0,0|1,0,1]=4 176 B9R0.19 CCOC(=O)C(C)(C)CN CDS009124 [0,2,0,0,0,0|1,0,1]=4 177 B9R0.35 CCC[C@H](N)C(=O)OCC CDS021016 [0,2,0,0,0,0|1,0,1]=4 178 B9R0.35 CCNC(=O)C(=O)NCC L158526 [0,2,0,0,0,0|1,0,0]=3 179 B9R0.35 CCOC(=O)C(C)N=C=O PH010972 [0,2,0,0,0,0|0,0,1]=3 180 B9R0.37 CCOC(=O)/C(=N/O)/CC S837296 [0,2,0,0,0,0|0,0,1]=3 181 B9R0.37 CCOC(=O)C(CC)CN PH016204 [0,2,0,0,0,0|1,0,1]=4 182 B9R0.37 CCOC(=O)N(CC)OC PH008534 [0,2,0,0,0,0|1,0,1]=4 183 B9R0.7 C=C(C)C(=O)NCC(C)O ANV00013 [0,2,0,0,0,0|2,0,0]=4 184 B9R0.7 CC(=O)C(=O)OCC(C)C PH008589 [0,2,0,0,0,0|0,0,0]=2 185 B9R0.13 C(=C(\CC)/C(=O)C)\CCC S129674 [0,2,0,0,0,0|2,0,0]=4 186 B9R0.42 C=C(C)C(=O)OC(C)CC CDS010603 [0,2,0,0,0,0|1,0,0]=3 187 B9R0.57 CC(C)(C)NC(=O)C(=O)O CBR00207 [0,2,0,0,0,0|2,0,0]=4 188 B7R1.1 CC=C1CCCC1 S431559 [1,0,0,1,0,0|2,0,0]=4 189 B7R1.1 O=CC1CCCO1 CDS005466 [1,0,0,1,0,0|1,0,1]=4 190 B7R1.2 CC1COC(=O)C1 PH007953 [1,0,0,1,0,0|2,0,0]=4 191 B7R1.2 CC1COC(=O)N1 CBR01603 [1,0,0,1,0,0|2,0,0]=4 192 B7R1.2 CC1COS(=O)O1 S409928 [1,0,0,1,0,0|2,0,0]=4 193 B7R1.2 CC1OC(=O)CS1 PH007278 [1,0,0,1,0,0|0,1,1]=4 194 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.3 IC1=CCCCC1 PH008510 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.3 O=C1COCCO1 PH009771 [1,0,0,1,0,0|0,0,2]=4 197 B7R1.3 O=C1NCCCN1 S436712 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.3 O=C1NCCCO1 CBR00063 [1,0,0,1,0,0|1,0,0]=3 199 B7R1.3 O=C1OCCCO1 S939668 [1,0,0,1,0,0|1,0,0]=3 200 B7R1.4 CC1=C(CCC1)Br T256854 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.4 CN1CCNC1=O CDS006142 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.4 NC1CCOC1=O CDS012715 [1,0,0,1,0,0|1,0,1]=4 203 B7R1.4 NN1CCOC1=O S462624 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.15 CC1NC(=O)C1C T173835 [1,0,0,1,0,0|1,0,1]=4 205 B7R1.15 CC1NC(=O)C1C T173843 [1,0,0,1,0,0|1,0,1]=4 206 B7R1.22 CCC(=O)C1CC1 CDS023679 [1,0,0,1,0,0|1,0,1]=4 207 B7R1.22 CNC(=O)C1CC1 S261831 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.22 COC(=O)N1CC1 T175501 [1,0,0,1,0,0|2,0,0]=4 209 B7R1.20 CC(=O)CC1CC1 PH014420 [1,0,0,1,0,0|1,0,1]=4 210 B9R1.7 CCOC1=CC(=NN1)C CBR00897 [0,0,0,1,0,1|2,0,0]=4 211 B9R1.13 CC(=O)C=C1CCCC1 L170097 [0,0,0,1,0,1|2,0,0]=4 212 B9R1.13 CC(=O)CC1OCCO1 S561088 [0,0,0,1,0,1|0,0,2]=4 213 B9R1.22 CNC1CC(=O)NC1=O PH018276 [0,0,0,1,0,1|2,0,0]=4 214 B9R1.34 N1C(=O)NC(=O)CC1C S533564 [0,0,0,1,0,1|1,0,0]=3 215 B9R1.41 CC(=O)C1=C(CCC1)C R426032 [0,0,0,1,0,1|2,0,0]=4 216 B9R1.41 CC(=O)N1CCNC1=O R593206 [0,0,0,1,0,1|1,0,0]=3 217 B9R1.41 NC(=O)N1CCCC1=O R100803 [0,0,0,1,0,1|2,0,0]=4 218 B9R1.137 CC(=O)CC(=O)C1CC1 SYX00054 [0,0,0,1,0,1|1,0,0]=3 219 B9R1.183 CCOC(=O)C1CC1C R425907 [0,0,0,1,0,1|1,0,1]=4 220 B9R1.183 CCOC(=O)C1OC1C S462349 [0,0,0,1,0,1|0,0,2]=4 221 B9R1.3 CC1=C(CCCC1=O)Cl S884774 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.3 CC1=C(CCCC1=O)O PH001252 [0,1,0,1,0,0|1,0,1]=4 223 B9R1.3 CC1=CCCC(C1=O)C T297577 [0,1,0,1,0,0|2,0,0]=4 224 B9R1.37 CC1NC(=O)N(C1=O)C CBR02204 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.5 O=C1CCCCCC1=O PH003588 [0,1,0,1,0,0|1,0,0]=3 226 B9R1.11 CCC(=O)C1=CCCC1 T246662 [0,1,0,1,0,0|2,0,0]=4 227 B9R1.69 C[C@H]1C[C@H](COC1=O)C T269239 [0,1,0,1,0,0|1,0,1]=4 228 B9R1.74 CCOC(=O)C1(CC1)C PH015344 [0,1,0,1,0,0|1,0,1]=4 229 B9R1.74 CCOC(=O)C1(CC1)N MNO000004 [0,1,0,1,0,0|1,0,1]=4 230 B9R1.6 O=C(O)C1=COCCC1 CDS022220 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.6 O=C(O)C1=COCCO1 T325333 [0,1,0,1,0,0|1,0,1]=4 232 B9R1.23 CCC1=NC(=C(O1)C)C CDS000714 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.36 CC1(C=C(C(=O)C1)Br)C T227870 [0,1,0,1,0,0|2,0,0]=4 234 B9R2.19 O=C1CCC2CC1O2 T173428 [0,0,0,2,0,0|1,0,1]=4 235 B9R0.48 C(=C\C(=O)NCC)\C(=O)O S441392 [0,0,0,0,0,2|2,0,0]=4 236 B9R0.48 C=C(C)CNC(=O)NCC S805793 [0,0,0,0,0,2|2,0,0]=4 237 B9R0.48 C=C(C)CNC(=O)OCC S36022 [0,0,0,0,0,2|1,0,0]=3 238 B9R0.48 C=C(Cl)CCC(=O)OCC T277177 [0,0,0,0,0,2|1,0,1]=4 239 B9R0.48 CCOC(=S)SCC(=O)O S390321 [0,0,0,0,0,2|1,1,0]=4