0 B9R0.24 CCC(=O)NNC(=O)CC S889598 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.24 CNC(=O)CCC(=O)NC S374857 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.24 CNC(=O)NNC(=O)NC PH007224 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.24 COC(=O)CNC(=O)CN R701602 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.6 C#CCCCC(=O)OC T287598 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.6 CCCCCC(=O)SC CDS010601 [1,0,0,0,0,0|1,1,1]=4 6 B8R0.6 CCCCNC(=O)OC S352683 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.6 CCOCCC(=O)OC PH000125 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.6 CCSCCC(=O)OC S365688 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.6 COC(=O)CCN=C=O PH010957 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.9 BC(=O)NCC(=O)OC R277398 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.9 C(=C\C(=O)NC)\C(=O)O R436445 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.9 C(=C\C(=O)NC)\C(=O)O S626813 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.9 CC(=NO)CCC(=O)O S354201 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.9 CC(=O)OCC(=O)CCl CDS000183 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.9 CCC(=O)CCC(=O)O S574090 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.9 CCC(=O)COC(=O)C S362409 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.9 CNC(=O)CNC(=O)C S782807 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.9 COC(=O)CNC(=O)C S785687 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.9 COC(=O)NCC(=O)O CDS020780 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.9 NCC(=O)NCC(=O)O S456829 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.9 O=C(O)CNC(=O)CCl S451770 [1,0,0,0,0,0|3,0,0]=4 22 B10R0.46 COC(=O)CC(Br)C(=O)OC PH007961 [0,1,0,0,0,0|0,0,0]=1 23 B10R0.46 COC(=O)CC(N)C(=O)OC S787213 [0,1,0,0,0,0|0,0,0]=1 24 B10R0.46 COC(=O)CC(O)C(=O)OC S379239 [0,1,0,0,0,0|0,0,0]=1 25 B10R0.46 [NH4]OC(=O)CC(O)C(=O)O[NH4] S520101 [0,1,0,0,0,0|2,0,0]=3 26 B10R0.108 CCOC(=O)/C=C/C(=O)O[TlH2] S765627 [0,1,0,0,0,0|1,0,2]=4 27 B10R1.14 COC(=O)C1CCC(=O)C1 SYX00133 [0,0,0,1,0,0|1,0,0]=2 28 B10R1.71 O=C1CCCCC(=O)CC1 S879320 [0,0,0,1,0,0|2,0,0]=3 29 B10R1.332 CN1CCC(=O)CCC1=O PH018619 [0,0,0,1,0,0|2,0,0]=3 30 B8R0.19 CN/C(=C\C(=O)OC)/C CVT00049 [0,0,0,0,1,0|2,0,1]=4 31 B8R0.19 COC(=O)/C=C(\C)/OC SYX00052 [0,0,0,0,1,0|1,0,1]=3 32 B8R0.19 COC(=O)NC(=O)CCl PH010166 [0,0,0,0,1,0|3,0,0]=4 33 B10R0.59 COC(=O)NCNC(=O)OC S608270 [0,0,0,0,0,1|1,0,0]=2 34 B7R0.3 CCOCC(=O)OC EME00071 [2,0,0,0,0,0|1,0,1]=4 35 B7R0.3 CNCCC(=O)NC CBR01261 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.3 COC(=O)CCC#N S369640 [2,0,0,0,0,0|1,0,1]=4 37 B7R0.3 COCCC(=O)NN CDS018970 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.4 C=C=CCCC(=O)O CVT00110 [2,0,0,0,0,0|1,0,1]=4 39 B7R0.4 CCOCCC(=O)O S448745 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.4 CNCCCC(=O)O PH006886 [2,0,0,0,0,0|1,0,1]=4 41 B7R0.4 COCCCC(=O)O CDS021485 [2,0,0,0,0,0|0,0,1]=3 42 B7R0.4 CSCCCC(=O)O OTV000795 [2,0,0,0,0,0|0,1,1]=4 43 B7R0.6 CN(C)CCC(=O)O CDS000423 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.6 CN(C)CCC(=O)O CDS013778 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.6 CS(=O)CCS(=O)C PH008108 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.6 C[S+](C)CCC(=O)O CDS000190 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.6 NC(=O)NCC(=O)O L100056 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.6 O=C(O)CCC(=O)O S427594 [2,0,0,0,0,0|0,0,0]=2 49 B9R0.46 C/C=C/C/C=C/C(=O)OC S765929 [1,1,0,0,0,0|1,0,1]=4 50 B9R0.46 COC(=O)CCCCCBr S125334 [1,1,0,0,0,0|1,0,1]=4 51 B9R0.7 CC(=O)NCC(=O)N(C)C EME00400 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.7 CC(Br)C(=O)NCC(=O)O S342742 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.7 CC(C)C(=O)NCC(=O)O CDS012058 [1,1,0,0,0,0|2,0,0]=4 54 B9R0.7 CN(C)C(=O)CCC(=O)O PH010983 [1,1,0,0,0,0|1,0,0]=3 55 B9R0.21 COC(=O)CCS(=O)(=O)Cl CDS012396 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.21 COC(=O)CCS(=O)(=O)N PH010251 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.23 C=C(CC(=O)O)C(=O)OC R434264 [1,1,0,0,0,0|0,0,1]=3 58 B9R0.23 COC(=O)C(N)CC(=O)O CDS006063 [1,1,0,0,0,0|0,0,0]=2 59 B9R0.23 COC(=O)C(O)CC(=O)O CDS005345 [1,1,0,0,0,0|0,0,0]=2 60 B9R0.23 COC(=O)[C@@H](N)CC(C)C PH010827 [1,1,0,0,0,0|1,0,1]=4 61 B9R0.23 O=C(O)CC(Br)C(=O)CBr S563242 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.23 [C@@H](C)(NC(=O)C)C(=O)OC S933279 [1,1,0,0,0,0|1,0,0]=3 63 B9R0.42 C=C(CC(=O)OC)C(=O)O S295248 [1,1,0,0,0,0|0,0,1]=3 64 B9R0.42 C=C(CC(=O)OC)C(=O)O S950076 [1,1,0,0,0,0|0,0,1]=3 65 B9R0.48 C=C(C)CNC(=O)OCC S36022 [1,1,0,0,0,0|2,0,0]=4 66 B9R0.48 C=C(Cl)CCC(=O)OCC T277177 [1,1,0,0,0,0|1,0,1]=4 67 B9R0.48 CCOC(=S)SCC(=O)O S390321 [1,1,0,0,0,0|1,1,0]=4 68 B9R0.48 NCCC(=O)NCC(=O)O S451169 [1,1,0,0,0,0|2,0,0]=4 69 B9R0.26 COC(=O)/C=C(\CCl)/OC T287059 [0,1,0,0,1,0|1,0,1]=4 70 B9R0.27 C=CC(=O)C(C)C(=O)OC R289531 [0,1,0,0,1,0|1,0,1]=4 71 B9R0.27 CCC(=O)C(C)C(=O)OC S84574 [0,1,0,0,1,0|1,0,0]=3 72 B9R0.27 CNC(=O)C(C)C(=O)NC R586943 [0,1,0,0,1,0|2,0,0]=4 73 B11R0.110 COC(=O)/C=C(\Cl)/CC(=O)OC S884758 [0,1,0,0,0,1|0,0,1]=3 74 B11R0.110 COC(=O)C=C(N)CC(=O)OC S407925 [0,1,0,0,0,1|0,0,1]=3 75 B11R0.120 COC(=O)CCC(Br)C(=O)OC PH016114 [0,1,0,0,0,1|0,0,0]=2 76 B11R0.120 COC(=O)CCC(N)C(=O)OC S338427 [0,1,0,0,0,1|0,0,0]=2 77 B11R0.66 COC(=O)C(Cl)C(Cl)C(=O)OC PH016108 [0,2,0,0,0,0|0,0,0]=2 78 B11R0.187 C/C=C(\C)/C(O)CC(=O)OCC S133906 [0,2,0,0,0,0|2,0,0]=4 79 B11R0.141 COCC(=O)CCC(=C(C)C)C R260878 [0,2,0,0,0,0|2,0,0]=4 80 B11R0.150 CN(C)C(=O)CCC(=O)N(C)C S568961 [0,2,0,0,0,0|2,0,0]=4 81 B9R1.11 CCC(=O)C1CCOC1 CDS024301 [1,0,0,1,0,0|1,0,1]=4 82 B9R1.11 COC(=O)[C@@H]1CCOC1 PHB00042 [1,0,0,1,0,0|0,0,1]=3 83 B9R1.35 C=C(Br)C1COC(=O)C1 T254126 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.69 CN1CC(=O)NCC1=O PH008413 [1,0,0,1,0,0|2,0,0]=4 85 B11R1.22 CCC(=O)N1CCC(=O)CC1 EME00459 [0,0,0,1,0,1|2,0,0]=4 86 B11R1.44 COC(=O)C1CCC(=N1)OC PH015636 [0,0,0,1,0,1|1,0,0]=3 87 B11R1.865 COC(=O)C1=C(C(=O)OC1)C T208728 [0,0,0,1,0,1|1,0,1]=4 88 B11R1.226 COC(=O)C1CC(=O)N(C1)C PH011738 [0,1,0,1,0,0|1,0,0]=3 89 B11R1.228 COC(=O)CC1CCCC1=O T177318 [0,1,0,1,0,0|1,0,0]=3 90 B11R1.15 CCOC(=O)[C@@H]1CSC(=O)N1 R751480 [0,1,0,1,0,0|1,1,0]=4 91 B7R0.2 CNC(=O)NC(=O)C S411868 [1,0,0,0,1,0|2,0,0]=4 92 B7R0.2 COC(=O)/C=C(/C)\N S613886 [1,0,0,0,1,0|1,0,1]=4 93 B7R0.2 COC(=O)/C=C(\C)/[O-] S586625 [1,0,0,0,1,0|0,0,2]=4 94 B7R0.2 COC(=O)CC(=O)O CDS001491 [1,0,0,0,1,0|0,0,0]=2 95 B7R0.2 COC(=O)CC(C)Cl S559458 [1,0,0,0,1,0|1,0,1]=4 96 B7R0.2 COC(=O)NC(=O)N S876178 [1,0,0,0,1,0|2,0,0]=4 97 B7R0.10 C/C=C(\C)/C(=O)OC CDS001207 [0,0,0,0,2,0|2,0,0]=4 98 B7R0.10 COC(=O)C(=O)NN PH011621 [0,0,0,0,2,0|2,0,0]=4 99 B11R0.106 COC(=O)C/C=C/CC(=O)OC PH000155 [0,0,0,0,0,2|0,0,0]=2 100 B11R0.106 COC(=O)NCCNC(=O)OC T330965 [0,0,0,0,0,2|0,0,0]=2 101 B11R0.106 COC(=O)OCCOC(=O)OC S348406 [0,0,0,0,0,2|0,0,0]=2