0 B5R0.2 CSCCCCl Y14621 [1,0,0,0,0,0|1,0,0]=2 1 B5R0.2 N#CCCC=O F20778 [1,0,0,0,0,0|1,0,1]=3 2 B7R0.4 CC(=O)OCCCO Y14698 [0,1,0,0,0,0|3,0,0]=4 3 B7R0.7 CCC[C@H](N)CC#N Y14537 [0,1,0,0,0,0|2,0,1]=4 4 B7R1.1 C#C[C@H]1CCNC1 P12667 [0,0,0,1,0,0|2,0,1]=4 5 B7R1.1 C#C[C@H]1CCOC1 38451 [0,0,0,1,0,0|1,1,1]=4 6 B7R1.1 CC[C@H]1CCCN1 Y11636 [0,0,0,1,0,0|2,0,1]=4 7 B7R1.1 CC[C@H]1CCNC1 P14868 [0,0,0,1,0,0|2,0,1]=4 8 B7R1.1 FC[C@H]1CCNC1 P18732 [0,0,0,1,0,0|2,0,1]=4 9 B7R1.1 OC[C@@H]1C=CCC1 74782 [0,0,0,1,0,0|3,0,0]=4 10 B7R1.4 CN1CC=CC1=O N13365 [0,0,0,1,0,0|1,0,2]=4 11 B7R1.4 C[C@H]1CCNC1=O D72754 [0,0,0,1,0,0|2,0,0]=3 12 B7R1.8 CN1CC[C@@H]1CN P13166 [0,0,0,1,0,0|2,0,1]=4 13 B7R1.8 CO[C@H]1CC[C@@H]1N P20347 [0,0,0,1,0,0|1,1,1]=4 14 B4R0.2 CNCCF AC6046 [2,0,0,0,0,0|2,0,0]=4 15 B6R0.1 CC[C@H](N)CC#N Y13628 [1,1,0,0,0,0|1,0,1]=4 16 B6R0.4 C[C@H](Cl)CCCO AC5969 [1,1,0,0,0,0|0,0,2]=4 17 B8R0.1 C=CCC[C@@H](O)CCC D93149 [0,2,0,0,0,0|2,0,0]=4 18 B8R0.7 NCCOCCC(=O)O C72750 [0,2,0,0,0,0|2,0,0]=4 19 B8R0.8 N[C@@H](CCCO)C(=O)O 51288 [0,2,0,0,0,0|2,0,0]=4 20 B8R0.9 C=C[C@@H](N)CCC(=O)O 20252 [0,2,0,0,0,0|1,0,1]=4 21 B8R0.9 C=C[C@@H](N)CCC(=O)O 33474 [0,2,0,0,0,0|1,0,1]=4 22 B8R0.9 C=C[C@@H](N)CCC(=O)O D87124 [0,2,0,0,0,0|1,0,1]=4 23 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [0,2,0,0,0,0|1,0,0]=3 24 B6R1.2 Cl[C@H]1CCNC1 W15837 [1,0,0,1,0,0|2,0,0]=4 25 B6R1.4 N[C@H]1CNC1=O P11921 [1,0,0,1,0,0|2,0,0]=4 26 B6R1.6 C#CC1CCC1 P19139 [1,0,0,1,0,0|1,0,1]=4 27 B6R1.6 NCC1CSC1 39006 [1,0,0,1,0,0|1,0,0]=3 28 B6R1.8 CO[C@H]1C[C@@H]1N P20153 [1,0,0,1,0,0|1,1,0]=4 29 B6R1.8 CO[C@H]1C[C@@H]1N P20155 [1,0,0,1,0,0|1,1,0]=4 30 B6R1.8 CO[C@H]1C[C@H]1N P20154 [1,0,0,1,0,0|1,1,0]=4 31 B6R1.8 CO[C@H]1C[C@H]1N P20156 [1,0,0,1,0,0|1,1,0]=4 32 B6R1.8 C[C@@H]1C[C@@H]1CO 55221 [1,0,0,1,0,0|0,0,2]=4 33 B8R1.2 BrCC1CCSCC1 D84726 [0,1,0,1,0,0|1,0,1]=4 34 B8R1.2 C#CC1CCSCC1 P13801 [0,1,0,1,0,0|1,0,1]=4 35 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [0,1,0,1,0,0|2,0,0]=4 36 B8R1.8 C=CC[C@H]1CCCN1 Y11188 [0,1,0,1,0,0|2,0,0]=4 37 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [0,1,0,1,0,0|2,0,0]=4 38 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [0,1,0,1,0,0|2,0,0]=4 39 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,1,0,1,0,0|1,0,0]=3 40 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,1,0,1,0,0|1,0,0]=3 41 B8R1.3 O=C1CCC(=O)NC1 65254 [0,1,0,1,0,0|1,0,1]=4 42 B8R1.3 O=C1CCS(=O)CC1 D86028 [0,1,0,1,0,0|2,0,0]=4 43 B8R1.58 C[C@]1(C#N)CCC1=O 98577 [0,1,0,1,0,0|2,0,0]=4 44 B8R1.4 CC1=CCCC(=O)C1 D79894 [0,1,0,1,0,0|1,0,1]=4 45 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,1,0,1,0,0|2,0,0]=4 46 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,1,0,1,0,0|1,0,0]=3 47 B8R1.4 N[C@@H]1COCC(=O)C1 91465 [0,1,0,1,0,0|0,1,0]=3 48 B8R1.7 NC(=O)[C@H]1CCNC1 30954 [0,1,0,1,0,0|1,0,0]=3 49 B8R1.7 O=C(O)C1CSSC1 D82957 [0,1,0,1,0,0|1,0,0]=3 50 B8R1.31 CC1CCC1C(=O)O D96793 [0,1,0,1,0,0|1,0,0]=3 51 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P16380 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.31 O=C(O)C1CCC1F P19066 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.34 O=C(O)C[C@H]1CCO1 P19430 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.43 O=C(O)C1CC1CF P19356 [0,1,0,1,0,0|2,0,0]=4 55 B8R2.18 O=C1CC2CC2N1 P20381 [0,0,0,2,0,0|2,0,0]=4 56 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97892 [0,0,0,2,0,0|1,0,0]=3 57 B8R2.38 O=C1NCC2CC12 AT10538 [0,0,0,2,0,0|2,0,0]=4 58 B8R2.4 O=C1CC2CC1C2 P20286 [0,0,0,2,0,0|1,0,0]=3