0 B9R0.43 CCN(CC)CCC(C)=O C15585 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.9 CC(=O)OC[C@@H](O)CO A10893 [1,0,0,0,0,0|2,0,0]=3 2 B8R0.9 CCC(C)CCC(C)N C14677 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.31 CC(=O)N1CC[C@H](CO)C1 P19907 [0,0,0,1,0,0|2,0,0]=3 4 B10R1.66 NC(=O)COC1CCCC1 AC6964 [0,0,0,1,0,0|3,0,0]=4 5 B10R1.237 CC[C@]1(CN)CCC(=O)N1 AT19170 [0,0,0,1,0,0|3,0,0]=4 6 B8R0.16 CCC(CC)NC(N)=S AT25001 [0,0,0,0,1,0|2,1,0]=4 7 B8R0.16 CCN(CC)C[C@H](C)N C78413 [0,0,0,0,1,0|2,0,1]=4 8 B8R0.16 CCN(CC)C[C@H](C)N C78475 [0,0,0,0,1,0|2,0,1]=4 9 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [2,0,0,0,0,0|1,0,0]=3 10 B7R0.4 CC(=O)NCCCN AR2174 [2,0,0,0,0,0|2,0,0]=4 11 B7R0.4 CNCCNC(C)=O C77870 [2,0,0,0,0,0|2,0,0]=4 12 B9R0.67 CCCCC(C)(CC)CC T71920 [1,1,0,0,0,0|1,0,1]=4 13 B9R0.14 CC(=O)N[C@H](CO)CCO AB10263 [0,1,0,0,1,0|2,0,0]=4 14 B9R0.41 CCC(CC)[C@H](N)C(=O)O AT24642 [0,1,0,0,1,0|1,0,0]=3 15 B9R0.41 CCC(CC)[C@H](N)C(=O)O AT24735 [0,1,0,0,1,0|1,0,0]=3 16 B9R0.41 CCC(CC)[C@H](N)C(=O)O AT24737 [0,1,0,0,1,0|1,0,0]=3 17 B9R0.41 CCN(CC)[C@@H](C)C(=O)O 93845 [0,1,0,0,1,0|2,0,0]=4 18 B9R0.41 CCN(CC)[C@@H](C)C(=O)O 93846 [0,1,0,0,1,0|2,0,0]=4 19 B11R0.27 CC(=O)OCC(CBr)(CBr)CBr C11535 [0,2,0,0,0,0|2,0,0]=4 20 B9R1.1 CC[C@H]1CNC(=O)CO1 90060 [1,0,0,1,0,0|2,0,0]=4 21 B9R1.1 CNC1CCC(=O)CC1 AB9600 [1,0,0,1,0,0|2,0,0]=4 22 B9R1.1 O=C1CCC(CBr)CC1 C77512 [1,0,0,1,0,0|2,0,0]=4 23 B9R1.35 CC(=O)N1CC[C@H](N)C1 C72166 [1,0,0,1,0,0|2,0,0]=4 24 B9R1.95 CC(=O)N1CC(CN)C1 AB10325 [1,0,0,1,0,0|2,0,0]=4 25 B9R1.125 C[C@]1(CO)COC(=O)N1 AT13637 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.12 CNCCC1CCCC1 P11107 [1,0,0,1,0,0|2,0,0]=4 27 B9R1.15 CCC1CCCCC1C T72380 [1,0,0,1,0,0|1,0,1]=4 28 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [0,0,0,1,1,0|1,0,0]=3 29 B9R1.13 CC(=O)C=C1CCCC1 F13249 [0,0,0,1,1,0|0,0,2]=4 30 B9R1.13 CC(=O)CC1CCCC1 N12760 [0,0,0,1,1,0|0,0,0]=2 31 B9R1.13 CC(=O)CN1CCCC1 F50500 [0,0,0,1,1,0|1,0,0]=3 32 B9R1.13 C[C@H](N)CC1CCCC1 N12947 [0,0,0,1,1,0|1,0,1]=4 33 B9R1.13 O=C(O)C[C@H]1CCNC1 P11648 [0,0,0,1,1,0|2,0,0]=4 34 B9R1.96 CC(=O)N1CC[C@@H]1CO P19109 [0,0,0,1,1,0|2,0,0]=4 35 B9R1.96 CCC1CN[C@@H]1C(=O)O P15219 [0,0,0,1,1,0|2,0,0]=4 36 B11R1.3 CC(=O)N1CCC(CN)CC1 C77972 [0,0,0,1,0,1|2,0,0]=4 37 B11R1.271 CC(=O)OC[C@H]1CC[C@@H]1CO P17684 [0,0,0,1,0,1|1,0,0]=3 38 B11R1.75 C=C1CN[C@@H](COC(C)=O)C1 F50304 [0,1,0,1,0,0|1,0,1]=4 39 B11R1.91 CC(=O)CCN1CCNCC1 W15258 [0,1,0,1,0,0|2,0,0]=4 40 B11R1.91 O=C(O)CC[C@H]1CCCCN1 70380 [0,1,0,1,0,0|2,0,0]=4 41 B11R1.124 CCN[C@H]1CCN(C(C)=O)C1 77405 [0,1,0,1,0,0|1,0,0]=3 42 B11R1.266 CC(=O)N1CCO[C@@H](CN)C1 72567 [0,1,0,1,0,0|2,0,0]=4 43 B11R1.266 CN[C@H]1CCCN(C(C)=O)C1 AC6997 [0,1,0,1,0,0|2,0,0]=4 44 B11R1.25 COC(=O)CCN1CCCC1 D72568 [0,1,0,1,0,0|2,0,0]=4 45 B11R1.25 COC(=O)CNC1CCCC1 AB10047 [0,1,0,1,0,0|2,0,0]=4 46 B11R1.44 COC(=O)C1CCC(CO)C1 AT13550 [0,1,0,1,0,0|2,0,0]=4 47 B11R1.44 COC(=O)[C@H]1CC[C@@H](CBr)C1 D95216 [0,1,0,1,0,0|2,0,0]=4 48 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 AC6602 [0,1,0,1,0,0|2,0,0]=4 49 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 N14303 [0,1,0,1,0,0|2,0,0]=4 50 B11R2.36 O=C1CCC2CCNC2C1 D72799 [0,0,0,2,0,0|2,0,0]=4 51 B11R2.845 CC(=O)C1CC2CCC1O2 F50487 [0,0,0,2,0,0|2,0,0]=4 52 B11R2.845 O=C(O)N1CC2CCC1C2 F52740 [0,0,0,2,0,0|2,0,0]=4 53 B11R2.141 O=C(O)[C@H]1CC12CCCC2 C77582 [0,0,0,2,0,0|2,0,0]=4 54 B11R2.359 O=C1CC2CCC(CN1)N2 AT25155 [0,0,0,2,0,0|2,0,0]=4 55 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [1,0,0,0,1,0|1,0,0]=3 56 B7R0.2 CC(=O)N[C@@H](C)CO C91213 [1,0,0,0,1,0|2,0,0]=4 57 B7R0.2 C[C@H](CCl)CC(=O)Cl AC1923 [1,0,0,0,1,0|2,0,0]=4 58 B7R0.15 CCC(CC)C(N)=O AC2944 [0,0,0,0,2,0|1,0,0]=3 59 B7R0.15 CC[C@@H](CN)C(=O)O 97589 [0,0,0,0,2,0|2,0,0]=4 60 B9R0.1 CC[C@H](C)OCCC(C)=O T71083 [1,0,0,0,0,1|1,0,0]=3