0 B15R2.8209 O=C(O)CCC1CCC2OC(=O)CC12 Amb27387931 [0,0,0,0,0,0|3,0,0]=3 1 B15R2.8209 O=C(O)CC[C@@H]1C=C[C@@H]2OC(=O)C[C@H]12 Amb28138014 [0,0,0,0,0,0|3,0,1]=4 2 B15R2.8209 O=C(O)CC[C@@H]1OC[C@@H]2NC(=O)N[C@H]12 Amb27423138 [0,0,0,0,0,0|0,1,0]=1 3 B15R2.8209 O=C(O)CC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 Amb26051444 [0,0,0,0,0,0|0,0,0]=0 4 B14R2.859 O=C1N[C@@H]2[C@H](CCCCl)OC[C@@H]2N1 Amb27793251 [1,0,0,0,0,0|1,1,1]=4 5 B16R2.23659 O=C(O)CCN1C(=O)NC2NC(=O)NC21 Amb6322062 [0,1,0,0,0,0|3,0,0]=4 6 B14R1.4354 CC1=C(C(O)CCC(=O)O)NC(=O)N1 Amb18810892 [0,0,1,0,0,0|0,1,2]=4 7 B14R2.5061 O=C(O)CC1=CCC2CC(=O)NC12 Amb27187227 [0,0,0,0,1,0|2,0,1]=4 8 B14R2.5061 O=C(O)C[C@@H]1CC[C@@H]2OC(=O)C[C@H]12 Amb28429393 [0,0,0,0,1,0|3,0,0]=4 9 B14R2.7948 O=C(O)CC[C@@H]1C[C@H]2NC(=O)N[C@H]12 Amb27489014 [0,0,0,0,1,0|0,0,0]=1 10 B13R1.3485 CC1=C(CCCC(=O)O)NC(=O)N1 Amb18823000 [1,0,1,0,0,0|0,0,2]=4 11 B15R1.22765 CC1NC(=O)NC1CCCCCC(=O)O Amb20666096 [0,1,1,0,0,0|1,0,0]=3 12 B15R2.16519 O=C1NC2CSC(CC\C=N\O)C2N1 Amb27607830 [1,1,0,0,0,0|0,0,0]=2 13 B15R2.1106 O=C(O)CC1CCCC2CC(=O)NC12 Amb25701685 [0,0,1,1,0,0|2,0,0]=4 14 B15R2.14162 O=C(O)CC[C@@H]1CCN2C[C@H]1OC2=O Amb27206446 [0,0,1,1,0,0|2,0,0]=4 15 B15R2.14162 O=C(O)CC[C@H]1CCN2C[C@H]1OC2=O Amb27233404 [0,0,1,1,0,0|2,0,0]=4 16 B15R2.16279 CC(=O)N1C(C(=O)O)CC2OCCC21 Amb32723931 [0,0,1,1,0,0|1,1,0]=4 17 B15R3.63780 O=C(O)C1CC2CCC3C(=O)N1C23 Amb25089419 [0,0,0,1,1,0|1,0,0]=3 18 B13R1.583 CC(=O)NC1CCC(CC(=O)O)C1 Amb27854867 [0,0,1,0,1,0|2,0,0]=4 19 B13R1.583 NC(=O)NC1CCN(CC(=O)O)C1 Amb35606297 [0,0,1,0,1,0|2,0,0]=4 20 B13R1.1985 NC(=O)C1CCC(CCC(=O)O)O1 Amb32668775 [0,0,1,0,1,0|2,0,0]=4 21 B13R1.1985 NC(=O)[C@@H]1CC[C@H](CCC(=O)O)O1 Amb32674709 [0,0,1,0,1,0|2,0,0]=4 22 B13R1.591 CC(=O)NC1CCCC1CC(=O)O Amb29863706 [0,0,1,0,1,0|2,0,0]=4 23 B13R1.591 CC(=O)N[C@@H]1CCC[C@H]1CC(=O)O Amb30019916 [0,0,1,0,1,0|2,0,0]=4 24 B13R1.591 NC(=O)NC1CCCC1CC(=O)O Amb35730493 [0,0,1,0,1,0|1,0,0]=3 25 B13R1.591 NC(=O)N[C@@H]1CCC[C@H]1CC(=O)O Amb35730653 [0,0,1,0,1,0|1,0,0]=3 26 B13R1.3501 O=C(O)CCC1CCCCC(=O)N1 Amb18191370 [0,0,1,0,1,0|2,0,0]=4 27 B13R1.3501 O=C(O)CCN1CCCNC(=O)C1 Amb27207886 [0,0,1,0,1,0|2,0,0]=4 28 B13R1.3501 O=C(O)CNC1CCCNC(=O)C1 Amb28242001 [0,0,1,0,1,0|2,0,0]=4 29 B13R1.3796 O=C(O)CNC1CCNC(=O)CC1 Amb28343482 [0,0,1,0,1,0|2,0,0]=4 30 B13R2.3335 CC(=O)C1SCC2NC(=O)NC21 Amb27841850 [0,0,0,0,2,0|1,0,0]=3 31 B13R2.3335 O=C1CC2C(COC2C(=O)O)N1 Amb18825457 [0,0,0,0,2,0|1,1,0]=4 32 B13R2.3335 O=C1CC2C(CSC2C(=O)O)N1 Amb18821621 [0,0,0,0,2,0|1,0,0]=3 33 B15R1.6460 O=C(O)CCCC1CCC(=O)NCCN1 Amb18174482 [0,0,1,0,0,1|2,0,0]=4 34 B17R2.22759 N=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1 Amb19893489 [0,0,0,0,0,2|1,0,0]=3 35 B17R2.22759 O=C(O)CCCCC1SCC2NC(=O)NC21 Amb9703209 [0,0,0,0,0,2|0,0,0]=2 36 B17R2.22759 O=C(O)CCCC[C@@H]1SCC2NC(=O)NC21 Amb2714844 [0,0,0,0,0,2|0,0,0]=2 37 B17R2.22759 O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 Amb10072254 [0,0,0,0,0,2|0,0,0]=2 38 B17R2.22759 O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 Amb1158086 [0,0,0,0,0,2|0,0,0]=2 39 B17R2.22759 O=C(O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21 Amb4089569 [0,0,0,0,0,2|0,0,0]=2