0 B8R1.50 CC1CCC(C)C1N F12413 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.2 C[C@@H]1COC(=O)C1 64712 [1,0,0,0,0,0|1,0,1]=3 2 B7R1.2 C[C@@H]1COC(=O)C1 69011 [1,0,0,0,0,0|1,0,1]=3 3 B7R1.2 C[C@H]1CC[C@H](C)N1 D85954 [1,0,0,0,0,0|2,0,1]=4 4 B7R1.2 C[C@H]1CC[C@H](C)N1 P17787 [1,0,0,0,0,0|2,0,1]=4 5 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [1,0,0,0,0,0|2,0,0]=3 6 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [1,0,0,0,0,0|2,0,1]=4 7 B7R1.4 CN1CC=CC1=O N13365 [1,0,0,0,0,0|1,0,1]=3 8 B7R1.4 C[C@H]1CCNC1=O D72754 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.37 C[C@H]1CN(O)C(=O)[C@H]1N 31660 [0,1,0,0,0,0|2,0,1]=4 10 B9R1.132 CN1C(=O)CC[C@@H]1CN 94191 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.132 CN1C(=O)CC[C@@H]1CN 94192 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.3 CNC(=O)CCCO F10217 [0,0,1,0,0,0|3,0,0]=4 13 B7R0.10 C=C(OC)C(=O)OC 78623 [0,0,1,0,0,0|3,0,0]=4 14 B9R1.3 CN1CCC[C@H](N)C1=O Y10111 [0,0,0,0,0,1|2,0,1]=4 15 B9R1.3 C[C@@H]1NCCN(C)C1=O F53781 [0,0,0,0,0,1|2,0,0]=3 16 B9R1.3 O=C1CCCC(O)=C1I P17172 [0,0,0,0,0,1|2,0,1]=4 17 B9R1.69 CN1C[C@@H](N)CCC1=O AT26867 [0,0,0,0,0,1|3,0,0]=4 18 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P17728 [0,0,0,0,0,1|2,0,1]=4 19 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P17729 [0,0,0,0,0,1|2,0,1]=4 20 B9R1.69 N[C@H]1CCC(=O)NC1=O F12719 [0,0,0,0,0,1|1,0,0]=2 21 B9R1.69 O=C1NC[C@H](F)C(=O)N1 F15142 [0,0,0,0,0,1|2,0,0]=3 22 B6R0.3 CC(C)C(=O)CN AT23528 [1,0,1,0,0,0|1,0,1]=4 23 B6R0.3 C[C@@H](CN)C(=O)O 31999 [1,0,1,0,0,0|1,0,1]=4 24 B8R0.9 C=C[C@@H](N)CCC(=O)O 20252 [0,1,1,0,0,0|2,0,0]=4 25 B8R0.9 C=C[C@@H](N)CCC(=O)O 33474 [0,1,1,0,0,0|2,0,0]=4 26 B8R0.9 C=C[C@@H](N)CCC(=O)O D87124 [0,1,1,0,0,0|2,0,0]=4 27 B8R0.19 CC[C@H](N)CC(=O)OC Y11154 [0,1,1,0,0,0|2,0,0]=4 28 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [1,1,0,0,0,0|2,0,0]=4 29 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [1,1,0,0,0,0|1,0,1]=4 30 B8R1.1 NC[C@@H]1CNC(=O)C1 38946 [1,1,0,0,0,0|1,0,1]=4 31 B8R1.1 NC[C@@H]1CNC(=O)C1 P14159 [1,1,0,0,0,0|1,0,1]=4 32 B8R1.1 O=C1C[C@H](CO)CO1 72726 [1,1,0,0,0,0|1,0,1]=4 33 B8R1.1 O=C1NC[C@H](CO)O1 P14223 [1,1,0,0,0,0|2,0,0]=4 34 B8R1.19 O=C1NCCC1(F)F 90055 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.2 CN1C(=O)COC[C@@H]1CO 56558 [0,1,0,0,0,1|2,0,0]=4 36 B10R1.2 CN1CCC[C@H](CO)C1=O F14435 [0,1,0,0,0,1|2,0,0]=4 37 B10R1.25 CCN1CCC(=O)CC1=O 32716 [0,1,0,0,0,1|1,0,0]=3 38 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,0,1,1,0,0|1,0,1]=4 39 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,0,1,1,0,0|1,0,1]=4 40 B8R1.38 O=C(CCl)C1CCC1 P19145 [0,0,1,1,0,0|1,0,1]=4 41 B8R1.58 C[C@]1(C#N)CCC1=O 98577 [0,0,1,1,0,0|1,0,1]=4 42 B8R2.4 O=C1CC2CC1C2 P20286 [1,0,0,1,0,0|0,0,1]=3 43 B8R2.18 O=C1CC2CC2N1 P20381 [1,0,0,1,0,0|1,0,0]=3 44 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97892 [1,0,0,1,0,0|0,0,1]=3 45 B8R2.38 O=C1NCC2CC12 AT10538 [1,0,0,1,0,0|1,0,1]=4 46 B10R2.178 O=C1CCC2CCC1N2 P16166 [0,0,0,1,0,1|1,0,1]=4 47 B6R1.4 N[C@H]1CNC1=O P11921 [1,0,0,0,1,0|2,0,0]=4 48 B6R1.5 O=C1CC(F)C1 P13807 [1,0,0,0,1,0|1,0,1]=4 49 B8R0.23 C=C(CC(C)C)C(=O)O W18790 [0,0,1,0,0,1|2,0,0]=4 50 B8R0.23 CC(=O)\C=C(/C)N(C)C D80987 [0,0,1,0,0,1|2,0,0]=4 51 B8R1.4 CC1=CCCC(=O)C1 D79894 [1,0,0,0,0,1|0,0,2]=4 52 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [1,0,0,0,0,1|0,0,1]=3 53 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [1,0,0,0,0,1|1,0,0]=3 54 B8R1.4 N[C@@H]1COCC(=O)C1 91465 [1,0,0,0,0,1|1,0,1]=4 55 B8R1.4 O[C@@H]1C=C(Br)COC1 P19693 [1,0,0,0,0,1|2,0,0]=4