0 B15R0.366 CCCCCCCCCCCC(=O)CCN S236551 [0,0,0,0,0,0|2,0,0]=2 1 B15R0.366 CCCCCCCCCCOC(=O)CC#N S551279 [0,0,0,0,0,0|3,0,1]=4 2 B15R0.366 CCOC(=O)CCCCCCCCCCBr S557498 [0,0,0,0,0,0|2,0,0]=2 3 B14R0.337 CCCCCCCCCCCC(=O)CC S543985 [1,0,0,0,0,0|0,0,0]=1 4 B14R0.337 CCCCCCCCCCCC([NH3+])CO L498653 [1,0,0,0,0,0|2,0,1]=4 5 B14R0.337 CCCCCCCCCCOC(=O)CCl S381594 [1,0,0,0,0,0|2,0,0]=3 6 B14R0.392 CCCCCCCCCCCC#CCBr PH006612 [1,0,0,0,0,0|2,0,1]=4 7 B14R0.392 CCCCCCCCCCCOCCO CDS018221 [1,0,0,0,0,0|3,0,0]=4 8 B14R0.392 CCCCCCCOCCCCCCC S565717 [1,0,0,0,0,0|2,0,1]=4 9 B14R0.392 CCCCCCCSCCCCCCC S413135 [1,0,0,0,0,0|2,0,1]=4 10 B14R0.392 CCOCCCCCCCCCOCC S842664 [1,0,0,0,0,0|2,0,1]=4 11 B16R0.61 CCCCCCCCCCCCS(=O)CCO S540129 [0,1,0,0,0,0|3,0,0]=4 12 B16R0.61 CCCCCCCCCCSCC(=O)OCC R395412 [0,1,0,0,0,0|1,0,0]=2 13 B16R0.61 CCOC(=O)CCCCCCCCCCOC S382426 [0,1,0,0,0,0|1,0,0]=2 14 B16R0.302 CCCCCCCCCCCC(=O)NC(=O)N S821063 [0,1,0,0,0,0|1,0,1]=3 15 B16R0.302 CCCCCCCCCCCC(=O)NC(=S)N S821136 [0,1,0,0,0,0|1,0,1]=3 16 B16R0.302 CCCCCCCCCCCC(=O)OC(C)C CDS005471 [0,1,0,0,0,0|1,0,0]=2 17 B16R0.302 CCCCCCCCCCNC(=O)OC(C)C R425311 [0,1,0,0,0,0|2,0,0]=3 18 B16R0.661 C=CCNC(=S)NCCCCCCCCCC PH005276 [0,1,0,0,0,0|1,1,1]=4 19 B16R0.661 CCCCCCCCCCCC(=O)OCCN PH008548 [0,1,0,0,0,0|1,0,0]=2 20 B16R0.661 CCCCCCCCCCCC(O)CCCC S543896 [0,1,0,0,0,0|1,0,2]=4 21 B16R0.661 CCCCCCCCCCNC(=S)NCCO L497835 [0,1,0,0,0,0|1,1,0]=3 22 B16R1.890 CCOC(=O)CCNCC1CCCN1CC CDS023596 [0,0,0,1,0,0|3,0,0]=4 23 B16R1.932 CCOC(=O)NCCCCN1CCCCC1 PH013069 [0,0,0,1,0,0|3,0,0]=4 24 B16R1.1193 CCCCCCCCCCCC1=NCCO1 PH006939 [0,0,0,1,0,0|0,0,2]=3 25 B16R1.14962 CCOC(=O)C1CCCCCCCCC1=O T168440 [0,0,0,1,0,0|2,0,1]=4 26 B13R0.54 CCCCCCCCCCOC(=O)C S359947 [2,0,0,0,0,0|1,0,0]=3 27 B13R0.54 CCCCCCCCCNCC(=O)O PH014167 [2,0,0,0,0,0|2,0,0]=4 28 B13R0.54 CCCCCCCCOCCC(=O)O S530719 [2,0,0,0,0,0|2,0,0]=4 29 B13R0.54 CCCCCCCCSCCC(=O)O S233579 [2,0,0,0,0,0|2,0,0]=4 30 B13R0.54 CCCCSCCCCCCC(=O)O R397334 [2,0,0,0,0,0|2,0,0]=4 31 B13R0.147 CCCCCCCCCOC(=O)CS S593966 [2,0,0,0,0,0|2,0,0]=4 32 B13R0.2 CCCCCCCCCC(=O)CCC CDS000692 [2,0,0,0,0,0|1,0,0]=3 33 B15R0.81 CCCCCCCCCCCNC(=O)CCl S382140 [1,1,0,0,0,0|1,0,0]=3 34 B15R0.84 CCCCCCCCCCCC(=O)N(C)C S346985 [1,1,0,0,0,0|0,0,0]=2 35 B15R0.84 CCCCCCCCCCSC(=S)N(C)C R738042 [1,1,0,0,0,0|1,1,0]=4 36 B15R0.253 CCCCCCCCCCCC(CC)CC PH001128 [1,1,0,0,0,0|1,0,1]=4 37 B15R0.254 CCCCCCCCCCCC(C)(O)CC S578177 [1,1,0,0,0,0|0,0,2]=4 38 B15R0.324 CCCCCCCCCCC(Br)C(=O)OC S985864 [1,1,0,0,0,0|1,0,0]=3 39 B15R0.3221 CCCCCCCCCC(C)NC(=O)CCl S381837 [1,1,0,0,0,0|2,0,0]=4 40 B15R0.133 CCCCCCCC(N)CCCCCCC S540234 [1,1,0,0,0,0|1,0,1]=4 41 B15R0.164 CCCCCCCCCCC/C=C/C(=O)C PH008562 [1,1,0,0,0,0|1,0,1]=4 42 B15R0.164 CCCCCCCCCCCNCC(C)O L305669 [1,1,0,0,0,0|2,0,0]=4 43 B17R0.250 CCCCCCCCCCCCCC(=O)CCC S543926 [0,2,0,0,0,0|1,0,0]=3 44 B17R0.250 CCCCCCCCCCCCCC(=O)NCC R425567 [0,2,0,0,0,0|0,0,0]=2 45 B17R0.250 CCCCCCCCCCCCNC(=O)CCC R343277 [0,2,0,0,0,0|1,0,0]=3 46 B17R0.250 CCCCCCCCCCCCOC(=O)CCS S600423 [0,2,0,0,0,0|2,0,0]=4 47 B17R0.192 CCCCCCCCCCCC(=O)OCC(C)C CDS001588 [0,2,0,0,0,0|1,0,0]=3 48 B17R0.192 CCCCCCCCCCCC(=O)OCC(C)O S449210 [0,2,0,0,0,0|1,0,0]=3 49 B17R0.3110 CCCCCCCCCCCC(=O)CCCCC S544108 [0,2,0,0,0,0|1,0,0]=3 50 B15R1.11631 COC(=O)CCCCCCCCC1CO1 PH011237 [1,0,0,1,0,0|2,0,0]=4 51 B15R1.15405 CCC1(CCCCCCCCCCC1)O S578126 [1,0,0,1,0,0|0,0,2]=4 52 B17R1.922 CCOC(=O)CCCCC1CCCCCC1=O T164496 [0,1,0,1,0,0|1,0,1]=4 53 B17R1.11298 O=C1CCCC=CCCCCCCCCCC1 CDS000484 [0,1,0,1,0,0|1,0,1]=4 54 B17R1.444 O=C1CCCCCCCCCCCCCC1O S566039 [0,1,0,1,0,0|1,0,0]=3 55 B17R1.1242 CCCCCCCCCCCC1=NCCCS1 PH005947 [0,1,0,1,0,0|0,1,1]=4 56 B17R2.38932 O=C1C=C2CCCCCCCCCC(C1)C2 T276448 [0,0,0,2,0,0|1,0,1]=4 57 B17R2.38932 [C@@H]12CCCCCCCCC[C@H](C1)CC(=O)C2 T296716 [0,0,0,2,0,0|1,0,0]=3 58 B17R2.38932 [C@H]12CCCCCCCCC[C@H](C1)CC(=C)C2 T244988 [0,0,0,2,0,0|2,0,0]=4 59 B17R2.38932 [C@H]12CCCCCCCCC[C@H](C1)CC(=O)C2 T292419 [0,0,0,2,0,0|1,0,0]=3