0 B9R0.4 CC(=O)CC(=O)OCCCl PH003373 [1,0,0,0,0,0|1,0,0]=2 1 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [1,0,0,0,0,0|1,0,0]=2 2 B9R0.4 CCCCC(=O)CC(=O)C S839590 [1,0,0,0,0,0|1,0,0]=2 3 B9R0.4 CCCNC(=O)CC(=O)C R466107 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.4 CCCOC(=O)CC(=O)C CDS000562 [1,0,0,0,0,0|0,0,0]=1 5 B9R0.4 CCCOC(=O)N[N+](=O)[O-] R647373 [1,0,0,0,0,0|3,0,0]=4 6 B11R0.33 CC(=CC(=O)CC(O)C(C)C)C S843520 [0,1,0,0,0,0|2,0,1]=4 7 B11R0.93 COC(=O)CC(=O)OCC(=O)C T295388 [0,1,0,0,0,0|1,0,1]=3 8 B11R1.645 CC1=NN(C(=O)C1)CC(C)C T324493 [0,0,0,1,0,0|2,0,0]=3 9 B9R0.7 C=C(C)C(=O)NCC(C)O ANV00013 [0,0,0,0,1,0|3,0,0]=4 10 B9R0.7 CC(=O)C(=O)OCC(C)C PH008589 [0,0,0,0,1,0|0,0,0]=1 11 B9R0.7 CC(C)CCC(=O)C(C)C S450499 [0,0,0,0,1,0|2,0,1]=4 12 B9R0.53 C/C(=C/C(=O)OC(C)C)/N R276480 [0,0,0,0,1,0|1,0,1]=3 13 B9R0.53 CC(C)CS(=O)CC(C)C S767905 [0,0,0,0,1,0|2,0,1]=4 14 B9R0.53 CC(C)C[C@@H](N)CC(=O)O CDS008875 [0,0,0,0,1,0|2,0,1]=4 15 B11R0.85 CC(C)CCC(=O)CCC(C)C S704180 [0,0,0,0,0,1|2,0,1]=4 16 B11R0.85 CC(C)SCC(=O)NCC(=O)N R169986 [0,0,0,0,0,1|3,0,0]=4 17 B11R0.85 CC(C)SCC(=O)NCC(=O)O R169447 [0,0,0,0,0,1|3,0,0]=4 18 B11R0.85 CN(C)CCC(=O)CCC(=O)O S936413 [0,0,0,0,0,1|3,0,0]=4 19 B8R0.1 CC=CC(=O)NCCC T173770 [2,0,0,0,0,0|1,0,1]=4 20 B8R0.1 CCCCC(=O)CCC S456489 [2,0,0,0,0,0|1,0,1]=4 21 B8R0.5 CCCC(=O)CC(=O)C S839566 [2,0,0,0,0,0|0,0,0]=2 22 B8R0.5 CCOC(=O)CC(=O)C S813079 [2,0,0,0,0,0|0,0,0]=2 23 B8R0.5 CCOC(=O)NC(=O)C S357308 [2,0,0,0,0,0|1,0,0]=3 24 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [2,0,0,0,0,0|2,0,0]=4 25 B8R0.9 C=CC(=O)OCC(C)O S511951 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.9 CC(C)CNC(=O)CCl CBR01221 [2,0,0,0,0,0|2,0,0]=4 27 B10R0.6 CCCCNC(=O)CC(=O)C R466115 [1,1,0,0,0,0|1,0,0]=3 28 B10R0.6 COCCOC(=O)C=C(C)C S240443 [1,1,0,0,0,0|1,0,1]=4 29 B10R0.28 CCCOC(=O)C[N+](C)(C)C R587818 [1,1,0,0,0,0|2,0,0]=4 30 B10R0.108 CCCC(=O)OCC(O)CO CDS003526 [1,1,0,0,0,0|1,0,1]=4 31 B10R0.31 C[C@@H](N)CC(=O)OC(C)(C)C CDS021564 [0,1,0,0,1,0|1,0,1]=4 32 B12R0.3 CC(C)CC(=O)OC(=O)CC(C)C S570982 [0,1,0,0,0,1|1,0,1]=4 33 B12R0.240 COC(=O)CC(=O)CCC=C(C)C T218545 [0,1,0,0,0,1|1,0,1]=4 34 B12R0.147 CCC(=O)COC(=O)CC(=O)OC T243000 [0,2,0,0,0,0|1,0,1]=4 35 B10R1.8 CCC1CC(=O)CC(=O)C1 CDS014187 [1,0,0,1,0,0|1,0,0]=3 36 B10R1.61 NC(=O)C1CCCNC1=O PH007029 [1,0,0,1,0,0|2,0,0]=4 37 B10R1.61 O=C(O)C1CCCCC1=O CDS021562 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.61 O=C(O)C1CCCNC1=O CBR01770 [1,0,0,1,0,0|2,0,0]=4 39 B10R1.266 CC(=O)CC(=O)C1CCC1 SYX00422 [1,0,0,1,0,0|1,0,0]=3 40 B10R1.59 N1C(=O)NC(=O)C1C(C)C S351733 [1,0,0,1,0,0|2,0,0]=4 41 B10R1.113 CC(C)C1CCCC(=O)C1 S883786 [1,0,0,1,0,0|1,0,1]=4 42 B10R1.138 CNCC(=O)NCC1CC1 PH017398 [1,0,0,1,0,0|2,0,0]=4 43 B10R1.302 CC1(CC=CC(=O)CC1)C T202908 [1,0,0,1,0,0|1,0,1]=4 44 B10R1.147 CC1(CCC(=O)C(=O)C1)C PH008262 [0,0,0,1,1,0|1,0,0]=3 45 B10R1.329 CC1=CC(=O)OC(C1)(C)C S346292 [0,0,0,1,1,0|1,0,1]=4 46 B12R1.498 CC(=O)N1C(=O)OC[C@@H]1C(C)C T279277 [0,0,0,1,0,1|1,0,0]=3 47 B12R1.127 CC(C)C[C@@H]1NC(=O)CNC1=O CDS007198 [0,0,0,1,0,1|2,0,0]=4 48 B12R1.111 CC(=O)C1C[C@H](CC1=O)C(C)C T288608 [0,1,0,1,0,0|1,0,0]=3 49 B12R1.226 CC(C)COC1=CC(=O)CCC1 S864978 [0,1,0,1,0,0|1,0,1]=4 50 B12R1.354 COC(=O)C1CC(CCC1=O)C T296252 [0,1,0,1,0,0|1,0,0]=3 51 B12R1.1005 CC1C(=O)CC(CC1=O)C(C)C T203645 [0,1,0,1,0,0|1,0,0]=3 52 B12R2.1201 CC12CCC(=O)N1C(=O)CC2 PH009377 [0,0,0,2,0,0|2,0,0]=4 53 B8R0.28 CC(=O)CCCC(C)C CDS000306 [1,0,0,0,1,0|0,0,1]=3 54 B8R0.28 CC(=O)CCCN(C)C PH014778 [1,0,0,0,1,0|1,0,1]=4 55 B8R0.28 CC(=O)COCC(=O)C S38912 [1,0,0,0,1,0|1,0,1]=4 56 B8R0.28 CC(=O)CSCC(C)C EME00074 [1,0,0,0,1,0|0,1,0]=3 57 B8R0.28 CC(C)CCCC(=O)O CDS003381 [1,0,0,0,1,0|1,0,1]=4 58 B8R0.28 CC(C)COCC(=O)O CDS014100 [1,0,0,0,1,0|1,0,0]=3 59 B8R0.28 CC(C)COCC(C)O CDS018532 [1,0,0,0,1,0|0,0,2]=4 60 B10R0.3 CCOC(=O)COCC(C)C T332593 [1,0,0,0,0,1|1,0,1]=4