0 B10R1.113 CC(=O)N1CCCC(N)C1 4089265 [0,0,0,1,0,0|3,0,0]=4 1 B10R1.113 CN1CCNC(C(=O)O)C1 4090798 [0,0,0,1,0,0|2,0,0]=3 2 B10R1.348 O=C(O)C1CCCCCN1 4140254 [0,0,0,1,0,0|1,0,0]=2 3 B10R1.363 CC1(C(=O)O)CCCNC1 4091028 [0,0,0,1,0,0|1,0,0]=2 4 B10R1.363 CC1(C(=O)O)CCNCC1 4090206 [0,0,0,1,0,0|1,0,0]=2 5 B10R1.363 CC1(C(N)=O)CCNCC1 4089906 [0,0,0,1,0,0|2,0,0]=3 6 B10R1.363 O=C(O)C1(O)CCNCC1 4088833 [0,0,0,1,0,0|2,0,0]=3 7 B7R0.5 CNCC(C)C(=O)O 4088272 [2,0,0,0,0,0|1,0,0]=3 8 B9R1.2 N[C@@H]1CCC[C@@H](CO)C1 4091236 [1,0,0,1,0,0|1,0,1]=4 9 B9R1.2 N[C@H]1CCC[C@@H](CO)C1 4091300 [1,0,0,1,0,0|1,0,1]=4 10 B9R1.2 N[C@H]1CCC[C@@H](CO)C1 4108241 [1,0,0,1,0,0|1,0,1]=4 11 B9R1.5 N[C@@H]1CCCCC[C@@H]1O 4046958 [1,0,0,1,0,0|1,0,1]=4 12 B9R1.89 CNC1CCCCCC1 4089903 [1,0,0,1,0,0|2,0,0]=4 13 B9R1.118 CC1(CO)CCCCN1 4041037 [1,0,0,1,0,0|1,0,1]=4 14 B9R1.118 CC1(CO)CCNCC1 4089699 [1,0,0,1,0,0|1,0,1]=4 15 B9R1.6 O=C(O)C1CCSCN1 4088340 [1,0,0,1,0,0|2,0,0]=4 16 B9R1.6 O=C(O)C1COCCO1 4016984 [1,0,0,1,0,0|2,0,0]=4 17 B9R1.13 O=C(O)CC1=CCCC1 4042684 [1,0,0,1,0,0|0,0,2]=4 18 B9R1.13 O=C(O)CC1CCCN1 4090243 [1,0,0,1,0,0|1,0,0]=3 19 B9R1.41 CN1CCC[C@H]1C(=O)O 4090456 [1,0,0,1,0,0|1,0,0]=3 20 B9R1.41 CN1CSC[C@H]1C(=O)O 4088259 [1,0,0,1,0,0|2,0,0]=4 21 B9R1.41 C[C@H]1OCC[C@H]1C(=O)O 4061662 [1,0,0,1,0,0|1,0,0]=3 22 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O 4003600 [1,0,0,1,0,0|0,0,0]=2 23 B9R1.69 C[C@@H]1CN[C@H](C)C(=O)N1 4054379 [1,0,0,1,0,0|2,0,0]=4 24 B9R1.69 C[C@@H]1NC[C@@H](C)NC1=O 4082967 [1,0,0,1,0,0|2,0,0]=4 25 B9R1.69 C[C@H]1CN[C@@H](C)C(=O)N1 4084559 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.69 C[C@H]1CN[C@H](C)C(=O)N1 4059417 [1,0,0,1,0,0|2,0,0]=4 27 B9R1.95 COC1CC(C(=O)O)C1 4029580 [1,0,0,1,0,0|1,0,0]=3 28 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 4058431 [1,0,0,1,0,0|1,0,0]=3 29 B9R1.110 CC(C(=O)O)N1CCC1 4045545 [1,0,0,1,0,0|1,0,0]=3 30 B9R1.163 CC1(C(=O)O)CCCN1 4090777 [1,0,0,1,0,0|1,0,0]=3 31 B9R1.163 CC1(C(=O)O)OCCO1 4043288 [1,0,0,1,0,0|2,0,0]=4 32 B9R1.163 C[C@@]1(C(=O)O)CCCN1 4142038 [1,0,0,1,0,0|1,0,0]=3 33 B11R1.497 O=C1CCCCC(C(=O)O)N1 4038630 [0,1,0,1,0,0|1,0,1]=4 34 B11R1.173 CC(C)(C(=O)O)N1CCCC1 4089780 [0,1,0,1,0,0|1,0,0]=3 35 B11R1.36 CC(C(=O)O)C1CCNCC1 4089641 [0,1,0,1,0,0|0,0,0]=2 36 B11R1.36 CC(C(=O)O)N1CCCCC1 4090458 [0,1,0,1,0,0|0,0,0]=2 37 B11R1.36 CC(C(=O)O)N1CCOCC1 4088945 [0,1,0,1,0,0|1,0,0]=3 38 B11R1.266 CC(=O)N1CCCC(CN)C1 4088408 [0,1,0,1,0,0|2,0,0]=4 39 B11R1.266 CCN1CCCC(C(=O)O)C1 4090631 [0,1,0,1,0,0|0,0,0]=2 40 B11R1.167 CN1CC[C@@H](O)[C@H](C(=O)O)C1 4009741 [0,1,0,1,0,0|1,0,0]=3 41 B11R1.3 CCN1CCC(C(=O)O)CC1 4089226 [0,1,0,1,0,0|1,0,0]=3 42 B11R1.220 CN1CCC(O)(C(=O)O)CC1 4090361 [0,1,0,1,0,0|2,0,0]=4 43 B11R1.878 CNC(=O)C1(C)CCCNC1 4088298 [0,1,0,1,0,0|2,0,0]=4 44 B11R1.878 COC(=O)C1(C)CCCCN1 4090003 [0,1,0,1,0,0|1,0,0]=3 45 B11R1.878 COC(=O)C1(C)CCNCC1 4090274 [0,1,0,1,0,0|1,0,0]=3 46 B11R1.1074 CCC1(C(=O)O)CCCCN1 4090115 [0,1,0,1,0,0|1,0,0]=3 47 B11R1.1074 CCC1(C(=O)O)CCNCC1 4089530 [0,1,0,1,0,0|1,0,0]=3 48 B11R1.1074 CCC1(C(N)=O)CCNCC1 4088649 [0,1,0,1,0,0|2,0,0]=4 49 B11R1.175 CC(C)N1CCC(C(=O)O)C1 4090537 [0,1,0,1,0,0|1,0,0]=3 50 B11R1.175 CN(C)[C@H]1CN[C@H](C(=O)O)C1 4089104 [0,1,0,1,0,0|2,0,0]=4 51 B11R1.730 CC1(C)CC(C(=O)O)CCO1 4400231 [0,1,0,1,0,0|1,0,0]=3 52 B11R1.730 O=C(O)C1CCCS(=O)(=O)C1 4037501 [0,1,0,1,0,0|2,0,0]=4 53 B11R2.845 O=C(O)[C@@H]1C[C@@H]2C=C[C@H]1C2 4101659 [0,0,0,2,0,0|0,0,2]=4