0 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O BC676689 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.23 C([C@H](C(=O)O)O)C(=O)O BC208474 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.23 CC(=O)CC(C(=O)O)O BC657254 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.2 CC[C@@H](C)CC(=O)O BC223684 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.2 CC[C@H](C)CC(=O)O BC676870 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.5 CCOC(=O)C(=O)C BC676704 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.6 CC(=O)CCC(=O)C BC676318 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.6 CC(=O)CCC(=O)O BC216409 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.6 CC(=O)CNC(=O)C BC220001 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.6 CC(=O)\C=C\C(=O)O BC214213 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.6 CC(C)COC(=O)Cl BC226048 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.11 CC(=O)OC(C)(C)C(=O)Br BC203938 [0,1,0,0,0,0|1,0,0]=2 12 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl BC215380 [0,1,0,0,0,0|1,0,0]=2 13 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O BC209913 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O BC640487 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.42 COC(=O)CC(C(=O)O)N BC215082 [0,1,0,0,0,0|3,0,0]=4 16 B9R0.42 COC(=O)C[C@H](C(=O)O)N BC204898 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.35 C1CC(=O)C=C1C(=O)O BC675996 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.35 C1CC(=O)CC1C(=O)O BC223612 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.35 C1CC(=O)N[C@@H]1C(=O)N BC683023 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O BC689086 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.35 C1CC(=O)N[C@@H]1C(=O)[O-] BC223766 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.35 C1CC(=O)N[C@H]1C(=O)O BC204542 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.35 C1CC(=O)O[C@H]1C(=O)O BC225732 [0,0,0,1,0,0|1,0,0]=2 24 B9R1.35 Cc1ccc(o1)C(=O)C BC218741 [0,0,0,1,0,0|1,0,2]=4 25 B9R1.69 CC1CN(CCC1=O)C BC208022 [0,0,0,1,0,0|3,0,0]=4 26 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N BC657158 [0,0,0,0,0,1|2,0,0]=3 27 B6R0.2 CC(C)CC(=O)O BC677309 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.2 CC(OC(=O)C)Br BC650646 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.4 C=CCOC(=O)Cl BC676725 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.4 CC(=O)OCC=C BC219433 [2,0,0,0,0,0|0,0,1]=3 31 B6R0.4 CC(=O)OCCBr BC677702 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.3 CC(=O)N(C)OC BC210650 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.3 C\C=C(/C)\C(=O)O BC206708 [2,0,0,0,0,0|1,0,1]=4 34 B8R0.9 C(CC(=O)O)C(=O)CN BC205541 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.9 C(CC(=O)O)C(=O)CN BC210778 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.37 CC(C)(C(=O)O)C(=O)O BC206661 [0,1,0,0,1,0|2,0,0]=4 37 B10R0.165 CC(=O)O[Pt](OC(=O)C)(Cl)Cl BC679462 [0,1,0,0,0,1|2,0,0]=4 38 B10R0.23 CC(=O)NC(COC)C(=O)O BC204992 [0,2,0,0,0,0|2,0,0]=4 39 B8R1.18 CC1=CC(=O)OC1O BC213808 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.18 C[C@H]1C(=O)OC(=O)N1 BC677969 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.18 Cc1c(oc(=O)o1)C BC207654 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.5 CC1CNCCC1=O BC219286 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.7 C1CC(OC1)C(=O)O BC226570 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.7 C1C[C@@H](OC1)C(=O)O BC209033 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.7 CC(=O)C1CCCC1 BC225383 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.23 C1C(CC1=O)C(=O)O BC225162 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.3 C1CC(=O)CCC1=O BC207860 [1,0,0,1,0,0|1,0,0]=3 48 B8R1.3 C1CC(=O)NCC1=O BC677922 [1,0,0,1,0,0|1,0,0]=3 49 B8R1.50 C1CC(=O)N(C1=O)I BC220192 [0,0,0,1,1,0|2,0,0]=4 50 B8R1.50 C1CC(=O)N(C1=O)O BC209532 [0,0,0,1,1,0|2,0,0]=4 51 B10R1.13 C1CC(=O)CCC1C(=O)O BC206441 [0,0,0,1,0,1|2,0,0]=4 52 B10R1.14 COC(=O)C1CCC(=O)C1 BC257487 [0,1,0,1,0,0|1,0,0]=3 53 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 BC204901 [0,1,0,1,0,0|1,0,0]=3 54 B10R1.113 C1C(NC(=O)CN1)C(=O)O BC600006 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.113 C1CC(NC(=O)C1)C(=O)O BC215498 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.113 C1[C@H](NC(=O)CN1)C(=O)O BC600023 [0,1,0,1,0,0|2,0,0]=4 57 B8R0.28 CC(=O)O[Pd]OC(=O)C BC207899 [1,0,0,0,0,1|1,0,0]=3