0 B7R0.6 O=C(O)CC[N+]([O-])=O BCP15066 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 O=C(O)CSC(F)F BCP19125 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 CC(C)CCCO BCP06801 [1,0,0,0,0,0|1,0,2]=4 3 B6R0.4 CCCCC(N)=N BCP11276 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.4 OC(CSCC)=O BCP05241 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.9 C=CC(N)CCC(O)=O BCP16218 [0,1,0,0,0,0|1,0,2]=4 6 B8R0.9 C=C[C@@H](N)CCC(O)=O BCP09861 [0,1,0,0,0,0|1,0,2]=4 7 B8R0.9 NCC(=O)CCC(O)=O BCP23830 [0,1,0,0,0,0|0,0,0]=1 8 B8R0.9 O=C(O)CCC(CN)=O BCP02161 [0,1,0,0,0,0|0,0,0]=1 9 B8R0.9 O=C(OC)\C=C\C(O)=O BCP18454 [0,1,0,0,0,0|0,0,2]=3 10 B8R0.23 CC(C)[C@@H](CC(=O)O)N BCP11719 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.23 C[C@@H](C(Cl)=O)OC(C)=O BCP04460 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.23 C[C@@H](CC(=O)O)C(=O)O BCP23566 [0,1,0,0,0,0|1,0,0]=2 13 B8R0.23 N[C@@H](CC(O)=O)C(O)=O BCP13530 [0,1,0,0,0,0|1,0,0]=2 14 B8R0.23 O=C(O)C(CC(O)=O)=O BCP16299 [0,1,0,0,0,0|1,0,1]=3 15 B8R0.29 O=C(O)CNC(C)(C)C BCP01461 [0,1,0,0,0,0|2,0,1]=4 16 B8R1.3 O=C1NCC(C)CC1 BCP14293 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.3 O=C1NCC(NC1)=O BCP20475 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.23 CN1CC(C1)C(=O)O BCP08430 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.23 O=C(C1CC(C1)=O)O BCP01232 [0,0,0,1,0,0|0,0,0]=1 20 B8R1.23 O=C(C1CC(N1)=O)O BCP06201 [0,0,0,1,0,0|1,0,0]=2 21 B8R1.23 O=C(O)[C@@H]1C[C@@H](N)C1 BCP04214 [0,0,0,1,0,0|1,0,1]=3 22 B8R1.77 O=C(C1C(F)(F)C1)O BCP19593 [0,0,0,1,0,0|2,0,1]=4 23 B6R0.2 CC(C)CC(N)=O BCP05941 [0,0,0,0,1,0|2,0,1]=4 24 B6R0.2 CC(CC(N)=O)=O BCP19964 [0,0,0,0,1,0|1,0,0]=2 25 B6R0.2 CC(OC(C)=O)=O BCP20665 [0,0,0,0,1,0|2,0,0]=3 26 B6R0.2 CC(\C=C([O-])C)=O BCP15074 [0,0,0,0,1,0|1,0,2]=4 27 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [0,0,0,0,1,0|1,0,1]=3 28 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [0,0,0,0,1,0|1,0,1]=3 29 B6R0.2 OC(CC(O)=O)=O BCP05571 [0,0,0,0,1,0|1,0,0]=2 30 B8R0.28 O=C(O)\C=C\CN(C)C BCP05598 [0,0,0,0,0,1|2,0,1]=4 31 B8R0.28 O=C(O)\C=C\CN(C)C BCP09008 [0,0,0,0,0,1|2,0,1]=4 32 B5R0.1 CC(OCCl)=O BCP16170 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.1 C[C@@H](N)CCO BCP01279 [2,0,0,0,0,0|1,0,1]=4 34 B5R0.1 O=C(Cl)CCBr BCP20557 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.1 O=C(Cl)CCCl BCP09962 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.1 OC(CCO)=O BCP05902 [2,0,0,0,0,0|0,0,1]=3 37 B5R0.1 OC(CCS)=O BCP16636 [2,0,0,0,0,0|0,1,0]=3 38 B5R0.2 C=CCCC=C BCP08456 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.2 O=CCCC=O BCP20105 [2,0,0,0,0,0|0,0,0]=2 40 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [1,1,0,0,0,0|0,0,1]=3 41 B7R0.4 O=C(O)CCCCO BCP10662 [1,1,0,0,0,0|0,0,1]=3 42 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [1,1,0,0,0,0|1,0,0]=3 43 B7R0.5 COC[C](C(O)=O)N BCP11642 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.5 NC(C(O)=O)CC=C BCP04800 [1,1,0,0,0,0|0,0,1]=3 45 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [1,1,0,0,0,0|1,0,0]=3 46 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [1,1,0,0,0,0|1,0,1]=4 47 B7R0.5 O=C(O)[C](CNC)N BCP09610 [1,1,0,0,0,0|1,0,1]=4 48 B7R0.8 CS(=O)(=O)CCCO BCP18464 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.16 CC(C)[C@@H](N)C(O)=O BCP10545 [0,1,0,0,1,0|1,0,1]=4 50 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O BCP08009 [0,1,0,0,1,0|0,0,2]=4 51 B9R0.7 N[C@@H](C(N)=O)CCC(O)=O BCP17216 [0,1,0,0,0,1|1,0,0]=3 52 B9R0.53 CC(C)C[C](N)CC(O)=O BCP11737 [0,1,0,0,0,1|1,0,1]=4 53 B9R0.24 O=C(OC)CCC(CN)=O BCP08124 [0,2,0,0,0,0|0,0,0]=2 54 B9R0.42 N[C@@H](CN(O)N=O)C(O)=O BCP23794 [0,2,0,0,0,0|2,0,0]=4 55 B9R0.48 O=C(OCC)CCC(Cl)=O BCP13635 [0,2,0,0,0,0|1,0,0]=3 56 B9R0.79 N[C@@H](C(O)=O)[C@@H](O)C(C)C BCP09538 [0,2,0,0,0,0|1,0,1]=4 57 B9R0.79 O=C(O)[C](O)[C@@H](O)C(O)=O BCP08324 [0,2,0,0,0,0|1,0,1]=4 58 B9R0.79 O=C(O)[C](O)[C@@H](O)C(O)=O BCP13583 [0,2,0,0,0,0|1,0,1]=4 59 B9R0.79 O=C(O)[C](O)[C@@H](O)C(O)=O BCP15048 [0,2,0,0,0,0|1,0,1]=4 60 B9R0.79 OC(C(C(O)=O)O)C(O)=O BCP07193 [0,2,0,0,0,0|1,0,0]=3 61 B9R0.79 OC([C@@H](O)[C](O)C(O)=O)=O BCP11138 [0,2,0,0,0,0|1,0,1]=4 62 B7R1.2 O=C1NCC(O)C1 BCP07569 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [1,0,0,1,0,0|1,0,1]=4 64 B7R1.3 O=C1CCNCC1 BCP15157 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.3 O=C1CCSCC1 BCP09565 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.3 O=C1NCCCC1 BCP00878 [1,0,0,1,0,0|1,0,1]=4 67 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [1,0,0,1,0,0|1,0,1]=4 68 B7R1.18 O=C(C1CNC1)O BCP07094 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.20 O=C(O)CC1CC1 BCP05386 [1,0,0,1,0,0|0,0,1]=3 70 B9R1.35 O=C(O)[C@@H]1NC[C@@H](O)C1 BCP17069 [0,0,0,1,0,1|0,0,2]=4 71 B9R1.35 O=C([O-])[C]1CCC(N1)=O BCP11962 [0,0,0,1,0,1|1,0,1]=4 72 B9R1.35 O=C1CC[C@@H](N1)C(=O)O BCP09505 [0,0,0,1,0,1|1,0,0]=3 73 B9R1.10 O=[S]1(CCC(CC1)=O)=O BCP08509 [0,1,0,1,0,0|1,0,1]=4 74 B9R1.82 O=C(OC)C1CC(C1)=O BCP17549 [0,1,0,1,0,0|0,0,0]=2 75 B9R1.82 OC1CC(C(OC)=O)C1 BCP07352 [0,1,0,1,0,0|0,0,2]=4 76 B9R1.112 O=C(O)C(N)CC1CC1 BCP15435 [0,1,0,1,0,0|1,0,1]=4 77 B9R1.112 O=C(O)[C@@H](N)CC1CC1 BCP07233 [0,1,0,1,0,0|1,0,1]=4 78 B9R1.152 [18F][C@H]1C[C@@](N)(C(O)=O)C1 BCP24384 [0,1,0,1,0,0|1,0,1]=4 79 B5R0.5 C=C(Cl)C(O)=O BCP13841 [0,0,0,0,2,0|1,0,1]=4 80 B5R0.5 C[C@@H](Cl)C(O)=O BCP14313 [0,0,0,0,2,0|1,0,1]=4 81 B5R0.5 C[C](Cl)C(O)=O BCP11281 [0,0,0,0,2,0|1,0,1]=4 82 B5R0.5 O=C(C)C([O-])=O BCP13503 [0,0,0,0,2,0|0,0,1]=3