0 B8R0.8 N[C](C(O)=O)CCCN BCP18679 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.8 N[C](CCCN)C(O)=O BCP13629 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.8 O=C([O-])C(O)CCSC BCP11942 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.4 O=C(O)CCCCO BCP10662 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.4 OC(\C=C\OCC)=O BCP05609 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.5 COC[C](C(O)=O)N BCP11642 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.5 NC(C(O)=O)CC=C BCP04800 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.5 O=C(O)[C](CNC)N BCP09610 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.13 CCCCC(CC)C([O-])=O BCP13040 [0,1,0,0,0,0|0,0,1]=2 12 B9R0.47 N[C](C(O)=O)CCCCN BCP13554 [0,1,0,0,0,0|1,0,1]=3 13 B9R1.5 N[C@H]1CCCCN=C1O BCP01251 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.5 O=C1NCCCC[C]1N BCP14675 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.6 CC(N1CCNCC1)=O BCP05244 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.6 O=C(C1CCNCC1)N BCP18799 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.6 OC(=O)C1CCCOC1 BCP07723 [0,0,0,1,0,0|1,0,0]=2 18 B9R1.6 OC(=O)[C@@H]1COCCN1 BCP08155 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.6 OC(=O)[C]1CCC=CC1 BCP15341 [0,0,0,1,0,0|0,0,3]=4 20 B9R1.35 O=C(O)[C@@H]1NC[C@@H](O)C1 BCP17069 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.35 O=C(O)[C]1C[C@H](CN1)O BCP16291 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.35 O=C(O)[C]1NC[C@@H](O)C1 BCP14276 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.35 O=C(O)[C]1NC[C@@H](O)C1 BCP21137 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.35 O=C1CC[C@@H](N1)C(=O)O BCP09505 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.35 O[C@@H]1C[C](C(O)=O)NC1 BCP10481 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.112 O=C(O)C(N)CC1CC1 BCP15435 [0,0,0,1,0,0|1,0,0]=2 27 B9R1.112 O=C(O)[C@@H](N)CC1CC1 BCP07233 [0,0,0,1,0,0|1,0,0]=2 28 B9R1.112 O=C(O)[C](N)CC1CC1 BCP18435 [0,0,0,1,0,0|1,0,1]=3 29 B9R1.163 C[C@]1(CCCN1)C(O)=O BCP18010 [0,0,0,1,0,0|1,0,0]=2 30 B9R1.163 O=C(O)[C@]1(C)NCCC1 BCP01614 [0,0,0,1,0,0|1,0,0]=2 31 B6R0.1 OC[C@@H](C)COC BCP11697 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.4 CC(C)CCCO BCP06801 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.4 CCCCC(N)=N BCP11276 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.4 OC(CSCC)=O BCP05241 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.6 C=CCCCCO BCP03575 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.6 CCCCCCO BCP29486 [2,0,0,0,0,0|0,0,1]=3 37 B6R0.6 O=CCCCCO BCP10790 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.6 OCCCCOC BCP22070 [2,0,0,0,0,0|1,0,1]=4 39 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.3 CC[C](N)C(O)=O BCP04716 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [2,0,0,0,0,0|0,0,0]=2 42 B6R0.3 C\C=C(C)\C(O)=O BCP18945 [2,0,0,0,0,0|0,0,2]=4 43 B6R0.3 NC(CC)C(N)=O BCP08675 [2,0,0,0,0,0|2,0,0]=4 44 B8R0.6 C=CC(O)CCCCC BCP19092 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.23 C[C@@H](CC(=O)O)C(=O)O BCP23566 [1,1,0,0,0,0|1,0,1]=4 46 B10R0.36 O=C(OCC)C(C)(C)C(O)=O BCP08326 [0,2,0,0,0,0|1,0,1]=4 47 B10R0.43 CC(C(O)=O)(N)CCC(O)=O BCP19864 [0,2,0,0,0,0|1,0,1]=4 48 B10R0.92 O=C(O)[C@@H](N)CCS(=N)(C)=O BCP10104 [0,2,0,0,0,0|2,0,0]=4 49 B10R0.42 CC(P(O)=O)(C)NCCCC BCP12944 [0,2,0,0,0,0|1,0,0]=3 50 B10R0.75 N[C](C(O)=O)CSCCCO BCP11478 [0,2,0,0,0,0|1,0,1]=4 51 B8R1.2 BrCC1CCCCC1 BCP14928 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.2 N#CC1CCCCC1 BCP15736 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.2 O=CC1CCOCC1 BCP12387 [1,0,0,1,0,0|1,0,0]=3 54 B8R1.2 O=CN1CCCCC1 BCP20086 [1,0,0,1,0,0|1,0,0]=3 55 B8R1.2 OC[C@@H]1CCCNC1 BCP11184 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.5 O=C1C(O)CCCO1 BCP06471 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.5 O=C1CCOCC1C BCP07576 [1,0,0,1,0,0|1,0,0]=3 58 B8R1.5 O[C@@H]1[C@@H](O)CCCC1 BCP16536 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.7 O=C(O)C1CNCC1 BCP04865 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.7 OC(=O)C1COCC1 BCP08172 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.34 O=C(O)CC1CCC1 BCP15064 [1,0,0,1,0,0|0,0,0]=2 62 B8R1.23 CN1CC(C1)C(=O)O BCP08430 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.23 O=C(C1CC(C1)=O)O BCP01232 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.23 O=C(O)[C@@H]1C[C@@H](N)C1 BCP04214 [1,0,0,1,0,0|1,0,0]=3 65 B8R1.54 O=C(O)[C@@H](N)C1CC1 BCP11588 [1,0,0,1,0,0|1,0,0]=3 66 B10R1.18 O=C(O)CN1CCOCC1 BCP10116 [0,0,0,1,0,1|2,0,0]=4 67 B10R1.18 O=C(O)CN1CCOCC1 BCP12317 [0,0,0,1,0,1|2,0,0]=4 68 B10R1.61 O=C(O)[C@@H]1N(CCCC1)C BCP19201 [0,0,0,1,0,1|1,0,0]=3 69 B10R1.34 O=C1OC(CO)C(C1O)O BCP08465 [0,1,0,1,0,0|2,0,0]=4 70 B10R1.13 CC(N1CCC(N)CC1)=O BCP15080 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.13 N[C]1CC[C](CC1)C(O)=O BCP19613 [0,1,0,1,0,0|0,0,2]=4 72 B10R1.13 OC([C]1CC[C](N)CC1)=O BCP17121 [0,1,0,1,0,0|0,0,2]=4 73 B10R1.13 OC([C]1CC[C](N)CC1)=O BCP17255 [0,1,0,1,0,0|0,0,2]=4 74 B10R1.15 N[C@@H](CO)C1CCCCC1 BCP13882 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.15 O=C(CBr)N1CCCCC1 BCP15055 [0,1,0,1,0,0|2,0,0]=4 76 B10R1.15 OCC(N1CCOCC1)=O BCP15284 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.15 OC[C](C1CCCCC1)N BCP13879 [0,1,0,1,0,0|1,0,1]=4 78 B10R1.113 CC1=NCCC(N1)C(=O)O BCP14520 [0,1,0,1,0,0|1,0,1]=4 79 B10R1.204 N[C@@H](CC1CCC1)C(O)=O BCP14793 [0,1,0,1,0,0|1,0,0]=3 80 B10R0.78 CC(CCCC)CCC(O)=O BCP19094 [0,0,0,0,0,2|0,0,0]=2