0 B8R0.5 C/C=C/C(=O)NC(C)C PH006962 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.5 CC(C)OC(=O)CC#N S615137 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.5 CC/C=C(\C)/C=C(C)C T181536 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.5 CCCC(=O)CC(=O)C S839566 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.5 CCOC(=O)CC(=O)C S813079 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.5 CCOC(=O)NC(=O)C S357308 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.5 CCOC(=O)NC(C)C PH000346 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.5 CCOC(=O)N[N+](=O)[O-] R580899 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.2 C=C(CO)CC(C)C T296279 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.2 CC(C)CC(=O)C#N R260371 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.2 CC(C)C[C@H](N)CO CDS005275 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.2 CC(C)OC(=O)CS S593931 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.2 CC(C)OC(=O)NF PH009513 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.2 CCC(=O)OC(C)C CDS000574 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.2 CCC(O)CC(C)C S447455 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.2 CCC(O)CC(C)O PH001987 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.2 CN(C)CC(=O)NN CDS000357 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.2 COC(=O)/C=C(/C)\N S613886 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.2 COC(=O)/C=C(\C)/[O-] S586625 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.2 COC(=O)CC(=O)O CDS001491 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.2 COC(=O)CC(C)Cl S559458 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.2 COC(=O)NC(C)C PH006940 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.4 CC(C)CNCCO CBR01428 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.4 CC(C)CSCCO PH017930 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.4 CC/C=C/CC(C)C R289604 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.4 CCC/C=C/C(C)C R289590 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.4 CCC/C=C/C(C)C S369713 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.4 CCCCCC(C)Cl CDS000285 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.4 CCCCSC(C)C S570605 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.4 CCCNC[C@@H](C)O PH016360 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.4 CCCSCC(C)C S547131 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.7 CCCC(Cl)CCC S563323 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.7 CCCS(=O)CCC S440973 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.7 CCNC(=O)CC#N OTV000131 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.7 CCOC(=O)CCI T255378 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.7 CCOC(=O)CNC PH000310 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.7 CCOC(=O)CNN CDS009912 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.7 CCOC(=O)NNC PH007943 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.7 CCOC(=O)NOC PH005154 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.7 CCOC(C)CCO S322008 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.7 CCOC(C)CNC CBR01487 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.7 CCSC(=O)SCC S189634 [1,0,0,0,0,0|1,1,0]=3 42 B9R0.4 CC(=O)CC(=O)OCCCl PH003373 [0,1,0,0,0,0|1,0,1]=3 43 B9R0.4 CC(C)NC(=O)NCCCl R592358 [0,1,0,0,0,0|2,0,0]=3 44 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [0,1,0,0,0,0|2,0,1]=4 45 B9R0.4 CCCCC(=O)CC(=O)C S839590 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.4 CCCNC(=O)CC(=O)C R466107 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.4 CCCOC(=O)CC(=O)C CDS000562 [0,1,0,0,0,0|1,0,1]=3 48 B9R0.6 CCOC(=O)C(Br)C(C)Br S361623 [0,1,0,0,0,0|1,0,0]=2 49 B9R0.6 CCOC(=O)C(Br)C(C)C CDS001494 [0,1,0,0,0,0|0,0,0]=1 50 B9R0.23 CC(C)OC(=O)C(N)CO S949876 [0,1,0,0,0,0|3,0,0]=4 51 B9R0.34 C#C[C@@H](N)CC(=O)OCC PH016355 [0,1,0,0,0,0|1,0,1]=3 52 B9R0.34 C(=C(/C)\NC)\C(=O)OCC S373435 [0,1,0,0,0,0|0,0,2]=3 53 B9R0.34 CCOC(=O)CN(C)C#N S348236 [0,1,0,0,0,0|1,0,1]=3 54 B9R0.44 C=COC(=O)C[N+](C)(C)C R240613 [0,1,0,0,0,0|1,0,2]=4 55 B9R0.44 C=COC(=O)C[N+](C)(C)C R240966 [0,1,0,0,0,0|1,0,2]=4 56 B9R0.44 CCCC(=O)OC(C)(C)C PH007526 [0,1,0,0,0,0|2,0,0]=3 57 B9R0.44 CCOC(=O)CC(C)(C)C S547093 [0,1,0,0,0,0|0,0,0]=1 58 B9R0.44 CCOC(=O)CS(=O)(=O)[O-] T176354 [0,1,0,0,0,0|3,0,0]=4 59 B9R0.44 CCOC(=S)SC(C)(C)C S261106 [0,1,0,0,0,0|1,1,0]=3 60 B9R0.53 C/C(=C/C(=O)OC(C)C)/N R276480 [0,1,0,0,0,0|1,0,2]=4 61 B9R0.53 CC(C)CS(=O)CC(C)C S767905 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.13 CC(C)CC1CCCN1 CDS005695 [0,0,0,1,0,0|2,0,1]=4 63 B9R1.22 CCN1CC(CC1=O)N CBR00819 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.34 CC1CC(=O)CC(C1)C S419052 [0,0,0,1,0,0|1,0,0]=2 65 B9R1.34 C[C@@H]1C[C@@H](C[C@@H](C1)C)O PH019597 [0,0,0,1,0,0|1,0,2]=4 66 B9R1.38 CC1CC(=O)NC1(C)C CBR01605 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.38 N1C(=O)CC(C1=O)(C)C S950858 [0,0,0,1,0,0|2,0,1]=4 68 B9R1.41 CC(C)C1CCCC1=O CDS023294 [0,0,0,1,0,0|1,0,0]=2 69 B9R1.41 CC(C)N1CCNC1=O CBR01602 [0,0,0,1,0,0|2,0,0]=3 70 B9R1.66 CC1(CCCC(C1)O)C S480940 [0,0,0,1,0,0|1,0,2]=4 71 B9R1.75 O=C(CCCl)NC1CC1 CBR00331 [0,0,0,1,0,0|3,0,0]=4 72 B9R1.137 CC(=O)CC(=O)C1CC1 SYX00054 [0,0,0,1,0,0|2,0,1]=4 73 B9R1.137 CC(C)NC(=O)C1CC1 R156906 [0,0,0,1,0,0|2,0,0]=3 74 B9R1.137 CC(C)NC(=O)C1CC1 S619825 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.183 CCOC(=O)C1CC1C R425907 [0,0,0,1,0,0|0,0,0]=1 76 B9R1.183 CCOC(=O)C1OC1C S462349 [0,0,0,1,0,0|1,0,0]=2 77 B7R0.5 C=C(CCC)C(C)C R289221 [0,0,0,0,1,0|2,0,0]=3 78 B7R0.5 CC/C=C(\C)/C(C)C R289558 [0,0,0,0,1,0|2,0,0]=3 79 B7R0.5 CCCC(=C(C)C)C R289469 [0,0,0,0,1,0|2,0,1]=4 80 B7R0.5 CCOC(=O)C(Br)Br PH011431 [0,0,0,0,1,0|2,0,0]=3 81 B7R0.5 CCOC(=O)C(C)N CDS015013 [0,0,0,0,1,0|1,0,0]=2 82 B7R0.5 CCOC(=O)N(C)C PH001938 [0,0,0,0,1,0|1,0,0]=2 83 B7R0.5 CCOC(=O)N(C)N PH007944 [0,0,0,0,1,0|2,0,0]=3 84 B7R0.5 CN(C)C(=O)CCN CBR00920 [0,0,0,0,1,0|3,0,0]=4 85 B7R0.5 CNCC(=O)N(C)C CDS007544 [0,0,0,0,1,0|3,0,0]=4 86 B7R0.5 COCC(=O)C(C)C CDS024045 [0,0,0,0,1,0|2,0,0]=3 87 B7R0.5 CSCC(=O)N(C)C PH007257 [0,0,0,0,1,0|3,0,0]=4 88 B9R0.48 C=C(C)CNC(=O)NCC S805793 [0,0,0,0,0,1|1,0,2]=4 89 B9R0.48 C=C(C)CNC(=O)OCC S36022 [0,0,0,0,0,1|0,0,2]=3 90 B9R0.48 C=C(Cl)CCC(=O)OCC T277177 [0,0,0,0,0,1|1,0,2]=4 91 B9R0.48 CCOC(C)OCC(C)C CDS018832 [0,0,0,0,0,1|1,0,1]=3 92 B6R0.1 CC/C=C(\C)/CC R289574 [2,0,0,0,0,0|1,0,1]=4 93 B6R0.1 CC/C=C(\C)/CC R289582 [2,0,0,0,0,0|1,0,1]=4 94 B6R0.1 CCC(=O)COC CDS024044 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.1 CCC(=O)OCS PH000959 [2,0,0,0,0,0|1,0,0]=3 96 B6R0.1 CCCC(N)CC CBR01120 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.1 CCNC(=O)CBr CBR01984 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.1 CCNC(=O)CCl TMT00299 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.1 CCOC(=O)NC PH010865 [2,0,0,0,0,0|1,0,0]=3 100 B6R0.1 CCOC(=O)N[O-] S859273 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.1 CCSC(=O)CC CDS001498 [2,0,0,0,0,0|0,1,0]=3 102 B6R0.1 CNCC(=O)NC CBR00235 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.1 CNCC(=O)OC PH006931 [2,0,0,0,0,0|1,0,0]=3 104 B6R0.1 [Li]OC(=O)CCC S813958 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.2 C=C(C)CC(C)C R289256 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.2 CC(=CC(C)C)C R289302 [2,0,0,0,0,0|1,0,1]=4 107 B6R0.2 CC(=N)CC(=O)C S366234 [2,0,0,0,0,0|1,0,1]=4 108 B6R0.2 CC(=O)NC(C)C S378992 [2,0,0,0,0,0|1,0,0]=3 109 B6R0.2 CC(C)CC(=O)[O-] S693154 [2,0,0,0,0,0|0,0,1]=3 110 B6R0.2 CC(Cl)CC(=O)O S419621 [2,0,0,0,0,0|1,0,0]=3 111 B6R0.2 CN(C)CC(=O)Cl CDS013657 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.4 CCCC=C(C)C S419117 [2,0,0,0,0,0|1,0,1]=4 113 B6R0.4 CCCSC(C)C S570702 [2,0,0,0,0,0|1,0,1]=4 114 B6R0.4 CSCCC(C)C S351520 [2,0,0,0,0,0|0,1,1]=4 115 B6R0.6 CCCNCCC R580155 [2,0,0,0,0,0|2,0,0]=4 116 B8R0.2 CCC(C)C(O)C(C)C S408050 [1,1,0,0,0,0|1,0,1]=4 117 B8R0.2 COC(=O)C(=O)C(C)Br SYX00008 [1,1,0,0,0,0|1,0,1]=4 118 B8R0.2 COC(=O)C(N)C(C)O S765430 [1,1,0,0,0,0|1,0,0]=3 119 B8R0.2 COC(=O)C(O)C(C)C CDS021214 [1,1,0,0,0,0|0,0,0]=2 120 B8R0.19 CCC(C)CC(O)CC S430854 [1,1,0,0,0,0|0,0,2]=4 121 B8R0.19 CCC(C)NC(=O)CCl OTV000953 [1,1,0,0,0,0|2,0,0]=4 122 B8R0.19 CCC(C)NC(=O)NC S724750 [1,1,0,0,0,0|2,0,0]=4 123 B8R0.19 CC[C@H](C)C[C@H](C)CO T297186 [1,1,0,0,0,0|1,0,1]=4 124 B8R0.19 CN/C(=C\C(=O)OC)/C CVT00049 [1,1,0,0,0,0|0,0,2]=4 125 B8R0.19 COC(=O)/C=C(\C)/OC SYX00052 [1,1,0,0,0,0|0,0,2]=4 126 B8R0.23 CC(=O)CC(=O)C(C)C CBR01575 [1,1,0,0,0,0|1,0,1]=4 127 B8R0.23 CC(C)CC(O)C(C)C S437425 [1,1,0,0,0,0|0,0,2]=4 128 B8R0.24 C=C(CO)CC(C)(C)C S448338 [1,1,0,0,0,0|2,0,0]=4 129 B8R0.24 CC(C)(C)NC(=O)CI PH000979 [1,1,0,0,0,0|2,0,0]=4 130 B8R0.24 CC(C)(C)OC(=O)CN T243442 [1,1,0,0,0,0|2,0,0]=4 131 B8R0.24 CNC(=O)OC(C)(C)C SYX00012 [1,1,0,0,0,0|2,0,0]=4 132 B8R0.34 CCC(C)(O)CC(C)C S411906 [1,1,0,0,0,0|0,0,2]=4 133 B8R0.6 CCOCCC(O)CC S347981 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.7 CC(C)CCCCCN CDS001505 [1,1,0,0,0,0|1,0,1]=4 135 B8R0.7 CC(C)CCNCCO S393983 [1,1,0,0,0,0|1,0,1]=4 136 B8R0.7 CCCCCCC(C)C S430935 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.7 CCCCSCC(C)C S570567 [1,1,0,0,0,0|1,0,1]=4 138 B8R0.9 CCC(O)CCC(C)C CDS000278 [1,1,0,0,0,0|1,0,1]=4 139 B8R0.21 C(=C/C(C)(C)C)\CCC S411981 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.21 CCCCCC(C)(C)O S431567 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.28 CC(C)CNCC(C)C S835676 [1,1,0,0,0,0|2,0,0]=4 142 B8R0.28 CC(C)COCC(C)O CDS018532 [1,1,0,0,0,0|2,0,0]=4 143 B8R0.1 C=CCNC(=O)OCC S361445 [1,1,0,0,0,0|0,0,2]=4 144 B8R0.1 CC=CC(=O)NCCC T173770 [1,1,0,0,0,0|1,0,1]=4 145 B8R0.1 CCCCC(=O)CCC S456489 [1,1,0,0,0,0|1,0,0]=3 146 B8R0.1 CCCNC(=O)NCC S805858 [1,1,0,0,0,0|1,0,0]=3 147 B8R0.1 CCCNC(=O)OCC S361909 [1,1,0,0,0,0|0,0,0]=2 148 B8R0.1 CCOC(=O)CCC#N PH003642 [1,1,0,0,0,0|0,0,1]=3 149 B8R0.1 CCOC(=O)CCOC CDS025273 [1,1,0,0,0,0|0,0,0]=2 150 B8R0.1 CCOC(=O)CSC#N PH001910 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.1 CCOC(=O)NCCO S391980 [1,1,0,0,0,0|1,0,0]=3 152 B8R0.3 C#CC(O)C(=O)OCC CDS000110 [1,1,0,0,0,0|0,0,2]=4 153 B8R0.3 CCCC(=O)C(Br)CC PH011136 [1,1,0,0,0,0|1,0,0]=3 154 B8R0.3 CCOC(=O)C(Cl)CC S918407 [1,1,0,0,0,0|0,0,0]=2 155 B8R0.3 CCOC(=O)C(F)CC S431370 [1,1,0,0,0,0|0,0,0]=2 156 B8R0.3 CCOC(=O)[C@H](N)CO PH015186 [1,1,0,0,0,0|1,0,0]=3 157 B8R0.22 CCCC(C=O)CCC PH014413 [1,1,0,0,0,0|1,0,1]=4 158 B8R0.30 CCOP(=O)(O)OCC CDS000320 [1,1,0,0,0,0|2,0,0]=4 159 B8R0.14 CCCC(=O)C(C)(C)C CDS021484 [0,1,0,0,1,0|1,0,0]=3 160 B8R0.14 CCNC(=O)C(C)(C)O S536970 [0,1,0,0,1,0|1,0,0]=3 161 B10R0.26 C(=C(/C)\N(C)C)\C(=O)OCC S532908 [0,1,0,0,0,1|1,0,1]=4 162 B10R0.26 CCOC(=O)CC(N)C(C)C CBR00804 [0,1,0,0,0,1|0,0,0]=2 163 B10R0.32 CCOC(=O)C(N)CC(C)C S846015 [0,1,0,0,0,1|0,0,0]=2 164 B10R0.32 CCOC(=O)C(O)CC(C)C CDS000270 [0,1,0,0,0,1|0,0,0]=2 165 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC S598895 [0,1,0,0,0,1|0,0,0]=2 166 B10R0.57 CCC(=O)/C(=C/CC(C)C)/C S84566 [0,1,0,0,0,1|2,0,0]=4 167 B10R0.108 CCCC(=O)OCC(O)CO CDS003526 [0,1,0,0,0,1|2,0,0]=4 168 B10R0.109 CCOC(=O)C#CC(C)(C)C T303569 [0,1,0,0,0,1|0,0,1]=3 169 B10R0.6 COCCOC(=O)C=C(C)C S240443 [0,2,0,0,0,0|0,0,2]=4 170 B10R0.18 CCNCC(=O)NC(C)CC PH014816 [0,2,0,0,0,0|2,0,0]=4 171 B10R0.28 C=CCOC(=O)C[N+](C)(C)C R243604 [0,2,0,0,0,0|1,0,1]=4 172 B10R0.28 CC(C)(C)NC(=O)NCCCl L169013 [0,2,0,0,0,0|2,0,0]=4 173 B10R0.28 CC(C)(C)OC(=O)CCCN CDS003999 [0,2,0,0,0,0|2,0,0]=4 174 B10R0.28 CCCOC(=O)C[N+](C)(C)C R587818 [0,2,0,0,0,0|1,0,0]=3 175 B10R0.81 C=CCNC(=O)C(Br)C(C)C S357367 [0,2,0,0,0,0|1,0,1]=4 176 B10R0.35 CCOC(=O)C(C)C(=O)NC S880949 [0,2,0,0,0,0|1,0,1]=4 177 B10R0.35 CCOC(=O)[C@H](N)[C@@H](C)CC CDS021429 [0,2,0,0,0,0|0,0,0]=2 178 B10R0.100 CCOC(=O)C(N)C(F)(F)F MNO000054 [0,2,0,0,0,0|2,0,0]=4 179 B10R0.101 CCOC(=O)C(C#N)C(=O)C CDS013559 [0,2,0,0,0,0|1,0,1]=4 180 B10R0.37 CC[C@@H](N)C(=O)OC(C)(C)C CDS007745 [0,2,0,0,0,0|2,0,0]=4 181 B10R0.2 CCCC(N)CC(=O)OCC CBR01547 [0,2,0,0,0,0|1,0,0]=3 182 B10R0.2 CCN/C(=C/C(=O)OCC)/C S541214 [0,2,0,0,0,0|0,0,2]=4 183 B10R0.2 CCOC(=O)CC(=S)OCC S664936 [0,2,0,0,0,0|1,0,1]=4 184 B10R0.2 CCOC(=O)CC(O)COC S877271 [0,2,0,0,0,0|1,0,0]=3 185 B10R0.7 C=CC(C)(C)CC(=O)OCC T278440 [0,2,0,0,0,0|0,0,0]=2 186 B10R0.7 CCOC(=O)CS(=O)(=O)CCl T175668 [0,2,0,0,0,0|2,0,0]=4 187 B10R0.7 CCOC(=O)NC(C)(C)CO S361739 [0,2,0,0,0,0|1,0,0]=3 188 B10R0.34 CCOC(=O)NC(CC)CO S361747 [0,2,0,0,0,0|1,0,0]=3 189 B10R0.31 C[C@@H](N)CC(=O)OC(C)(C)C CDS021564 [0,2,0,0,0,0|1,0,0]=3 190 B10R0.165 CC(C)OP(=O)(O)OC(C)C CDS000371 [0,2,0,0,0,0|2,0,0]=4 191 B8R1.1 CCC1CCC(C1)C R289752 [1,0,0,1,0,0|1,0,1]=4 192 B8R1.4 CC1=CCCC(=O)C1 PH000095 [1,0,0,1,0,0|0,0,2]=4 193 B8R1.4 CC1CCCC(C1)N CDS007614 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.4 CC1CCCC(C1)S CDS023316 [1,0,0,1,0,0|0,1,1]=4 195 B8R1.4 CC1CCOS(=O)O1 S359173 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.4 NC1CCNC(=O)C1 CDS024233 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.18 CC1CC(C(=O)O1)C S327565 [1,0,0,1,0,0|1,0,0]=3 198 B8R1.40 CO/C(=N/C1CC1)/C T199370 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.40 NCC(=O)NC1CC1 CBR00910 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.42 CC(C)CC1(CC1)N CBR00866 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.51 CC1(CCC(=O)O1)C CDS007697 [1,0,0,1,0,0|1,0,0]=3 202 B8R1.51 CC1(CNC(=O)O1)C T283703 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.51 CC1(COC(=O)N1)C CBR01583 [1,0,0,1,0,0|1,0,0]=3 204 B8R1.83 COC(=O)C1CC1C EME00059 [1,0,0,1,0,0|0,0,0]=2 205 B8R1.7 CC(C)C1CCCC1 R289671 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.19 CC1(CCOC1O)C T274453 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.72 CC1(CC=CCC1)O T180912 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.72 CC1(CCNCC1)C CDS012487 [1,0,0,1,0,0|1,0,1]=4 209 B8R1.8 CCCC1=NCCO1 S396397 [1,0,0,1,0,0|1,0,0]=3 210 B8R1.8 CCCC1OCCO1 S364665 [1,0,0,1,0,0|0,0,2]=4 211 B8R1.11 CCC1CCNC1=O CBR01663 [1,0,0,1,0,0|1,0,0]=3 212 B8R1.11 O=C1CCCN1CO S362557 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.37 CCCC(=O)N1CC1 S406996 [1,0,0,1,0,0|1,0,0]=3 214 B8R1.5 CC1SCCNC1=O R305707 [0,0,0,1,1,0|2,0,0]=4 215 B8R1.5 NC1CCCNC1=O CDS020148 [0,0,0,1,1,0|2,0,0]=4 216 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [0,0,0,1,1,0|2,0,0]=4 217 B8R1.54 CC(C)C(=O)C1CC1 CDS023680 [0,0,0,1,1,0|1,0,0]=3 218 B8R1.54 CC(C)C(=O)N1CC1 S432822 [0,0,0,1,1,0|1,0,0]=3 219 B10R1.30 CCN1C[C@H](NCC1=O)C CDS008125 [0,0,0,1,0,1|1,0,0]=3 220 B10R1.64 CN(C)CC1CCCC1=O PH018698 [0,0,0,1,0,1|2,0,0]=4 221 B10R1.64 CN(C)CC1CCCC1=O S235504 [0,0,0,1,0,1|2,0,0]=4 222 B10R1.113 CC(C)C1CCCC(=O)C1 S883786 [0,0,0,1,0,1|1,0,0]=3 223 B10R1.113 CC(C)[C@@H]1CCOC(=O)C1 T253251 [0,0,0,1,0,1|0,0,0]=2 224 B10R1.138 CNCC(=O)NCC1CC1 PH017398 [0,0,0,1,0,1|2,0,0]=4 225 B10R1.140 CCOC(=O)C1CC(=O)C1 T160598 [0,0,0,1,0,1|1,0,1]=4 226 B10R1.302 CC1(CC=CC(=O)CC1)C T202908 [0,0,0,1,0,1|1,0,1]=4 227 B10R1.302 C[N+]1(CCNC(=O)CC1)C T281166 [0,0,0,1,0,1|2,0,0]=4 228 B10R1.18 CC(C)CC1COCCN1 CBR00867 [0,1,0,1,0,0|1,0,1]=4 229 B10R1.61 CC(C)N1CCCNC1=O PH009682 [0,1,0,1,0,0|2,0,0]=4 230 B10R1.130 CCCN1CC(CC1=O)N CBR00820 [0,1,0,1,0,0|2,0,0]=4 231 B10R1.444 CC1(CC(=O)OC1CO)C R160636 [0,1,0,1,0,0|0,0,0]=2 232 B10R1.39 CC(C)C\1CCC/C1=N/N T294942 [0,1,0,1,0,0|2,0,0]=4 233 B10R1.171 CC1(CCC/C(=N/O)/C1)C PH009687 [0,1,0,1,0,0|1,0,1]=4 234 B10R1.147 CC1(CCC(=O)C(=O)C1)C PH008262 [0,1,0,1,0,0|1,0,0]=3 235 B10R1.149 CCC(C)N1CCCC1=O PH008581 [0,1,0,1,0,0|2,0,0]=4 236 B10R1.149 COC(=O)C1CCOC1=O T260215 [0,1,0,1,0,0|1,0,1]=4 237 B10R1.485 C=CC1(CCCC(=O)C1)C T294519 [0,1,0,1,0,0|1,0,1]=4 238 B10R1.329 CC1=CC(=O)OC(C1)(C)C S346292 [0,1,0,1,0,0|0,0,2]=4 239 B10R1.373 CC(C)(C)NC(=O)C1CC1 S287695 [0,1,0,1,0,0|2,0,0]=4 240 B10R2.61 O=C1CC2CCCC1C2 T289124 [0,0,0,2,0,0|1,0,0]=3 241 B10R2.179 CC12CCCC(=O)C1C2 T179531 [0,0,0,2,0,0|1,0,0]=3 242 B6R0.3 CC(C)C(=O)NN CDS003555 [1,0,0,0,1,0|2,0,0]=4 243 B6R0.3 CN(C)C(=O)CBr CDS023710 [1,0,0,0,1,0|2,0,0]=4 244 B6R0.3 CN(C)C(=O)CO CDS023758 [1,0,0,0,1,0|2,0,0]=4 245 B6R0.3 CNC(=O)[C@H](C)N CDS020776 [1,0,0,0,1,0|2,0,0]=4 246 B6R0.3 COC(=O)C(C)N S378909 [1,0,0,0,1,0|1,0,0]=3 247 B10R0.3 CCOC(=O)CCCN(C)C PH002341 [0,0,0,0,0,2|1,0,0]=3 248 B10R0.3 CCOC(=O)COCC(C)C T332593 [0,0,0,0,0,2|0,0,0]=2