0 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.3 CC[C](N)C(O)=O BCP04716 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.3 C\C=C(C)\C(O)=O BCP18945 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.3 NC(CC)C(N)=O BCP08675 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.3 N[C@H](C(O)=N)CO BCP06965 [0,0,0,0,0,0|1,1,0]=2 6 B6R0.3 N[C](CO)C(O)=O BCP06311 [0,0,0,0,0,0|0,1,1]=2 7 B5R0.1 CC(OCCl)=O BCP16170 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.1 O=C(Cl)CCBr BCP20557 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 O=C(Cl)CCCl BCP09962 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 OC(CCO)=O BCP05902 [1,0,0,0,0,0|0,1,0]=2 11 B5R0.1 OC(CCS)=O BCP16636 [1,0,0,0,0,0|0,0,0]=1 12 B5R0.3 C(C(CO)N)O BCP04588 [1,0,0,0,0,0|0,1,1]=3 13 B5R0.3 CC[C](N)CO BCP16938 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.3 NCC(CO)O BCP18703 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.3 SC(CS)CO BCP18145 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.5 C=C(Cl)C(O)=O BCP13841 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.5 CC(C)C(C)O BCP29487 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.5 CC(C)C(N)=N BCP07536 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.5 C[C@@H](Cl)C(O)=O BCP14313 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.5 C[C@@H](N)C(C)C BCP06945 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.5 C[C](Cl)C(O)=O BCP11281 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.5 O=C(C)C([O-])=O BCP13503 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.5 C#CC[C](N)C(O)=O BCP11742 [0,1,0,0,0,0|1,0,1]=3 24 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.5 COC[C](C(O)=O)N BCP11642 [0,1,0,0,0,0|0,1,1]=3 26 B7R0.5 NC(C(O)=O)CC=C BCP04800 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [0,1,0,0,0,0|0,1,0]=2 28 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [0,1,0,0,0,0|1,0,0]=2 29 B7R0.5 O=C(O)[C](CNC)N BCP09610 [0,1,0,0,0,0|1,0,1]=3 30 B7R0.10 COC([C@H](N)CCl)=O BCP04711 [0,1,0,0,0,0|1,0,0]=2 31 B7R0.10 COC([C](C)CO)=O BCP16617 [0,1,0,0,0,0|1,1,1]=4 32 B7R0.10 O=C(OC)[C@@H](C)CO BCP07508 [0,1,0,0,0,0|1,1,0]=3 33 B7R0.10 O=C(OC)[C](CO)N BCP15170 [0,1,0,0,0,0|0,1,1]=3 34 B7R0.10 O[C@@H](CO)C(CO)=O BCP10464 [0,1,0,0,0,0|1,1,0]=3 35 B7R0.13 C[C@](CO)(N)C(O)=O BCP10469 [0,1,0,0,0,0|0,1,0]=2 36 B7R0.13 NCC(C(=O)N)(C)C BCP04929 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.13 N[C@](C(O)=O)(CC)C BCP11781 [0,1,0,0,0,0|1,0,0]=2 38 B7R0.13 O=C(O)C(C)(C)ON BCP12073 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.15 SC[C](N=[Se])C(O)=O BCP09581 [0,1,0,0,0,0|0,0,2]=3 40 B7R0.16 CC(C)[C@@H](N)C(O)=O BCP10545 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.16 C[C]([C](C(=O)O)N)O BCP16820 [0,1,0,0,0,0|0,1,2]=4 42 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O BCP08009 [0,1,0,0,0,0|0,1,0]=2 43 B7R1.4 C=C1CCOC1=O BCP18620 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.4 N[C@@H]1CCC[C@H]1O BCP12204 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.4 N[C@H]1CCOC1=O BCP20062 [0,0,0,1,0,0|1,0,0]=2 46 B7R1.4 O=C1CCCN1N BCP15282 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.4 O=C1N(N)CCC1 BCP08744 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [0,0,0,1,0,0|1,0,0]=2 49 B7R1.4 OC1CCNC1=O BCP00893 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.18 O=C(C1CNC1)O BCP07094 [0,0,0,1,0,0|2,0,0]=3 52 B7R1.19 CC1(CC1)C(O)=O BCP16042 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.19 NC1(CC1)C(O)=O BCP05245 [0,0,0,1,0,0|1,0,0]=2 54 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [0,0,0,0,0,1|1,0,0]=2 55 B4R0.1 CC(CBr)=O BCP06577 [2,0,0,0,0,0|2,0,0]=4 56 B4R0.1 CC(O)CN BCP08083 [2,0,0,0,0,0|1,0,1]=4 57 B4R0.1 C[C@@H](O)CC BCP06774 [2,0,0,0,0,0|1,0,1]=4 58 B4R0.1 C[C@H](N)CN BCP05857 [2,0,0,0,0,0|1,0,1]=4 59 B4R0.1 C[C](N)CO BCP13388 [2,0,0,0,0,0|0,0,2]=4 60 B4R0.1 NC(CN)=N BCP12671 [2,0,0,0,0,0|2,0,0]=4 61 B4R0.1 O=C(O)CCl BCP20585 [2,0,0,0,0,0|1,0,0]=3 62 B4R0.1 O=CC(O)=O BCP15407 [2,0,0,0,0,0|0,1,1]=4 63 B4R0.1 OC(C#C)=O BCP18740 [2,0,0,0,0,0|0,0,2]=4 64 B6R0.1 O=C(OC)CCO BCP16887 [1,1,0,0,0,0|0,1,0]=3 65 B6R0.1 O=C(OC)CCS BCP16637 [1,1,0,0,0,0|0,0,0]=2 66 B6R0.2 CC(C)CC(N)=O BCP05941 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [1,1,0,0,0,0|1,0,0]=3 68 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [1,1,0,0,0,0|1,0,0]=3 69 B6R0.2 OC(CC(O)=O)=O BCP05571 [1,1,0,0,0,0|0,1,1]=4 70 B6R0.4 O=C(O)\C=C\CBr BCP11140 [1,1,0,0,0,0|1,0,1]=4 71 B6R0.4 OC(CSCC)=O BCP05241 [1,1,0,0,0,0|1,0,0]=3 72 B6R0.5 O=S(CCS)([O-])=O BCP14384 [1,1,0,0,0,0|1,0,1]=4 73 B6R0.7 CC([C@](N)=O)(C)C BCP01233 [1,1,0,0,0,0|2,0,0]=4 74 B8R0.19 O=C(OC)CC(O)CCl BCP13432 [0,1,0,0,0,1|2,0,0]=4 75 B8R0.23 CC(C)[C@@H](CC(=O)O)N BCP11719 [0,1,0,0,0,1|1,0,0]=3 76 B8R0.23 N[C@@H](CC(O)=O)C(O)=O BCP13530 [0,1,0,0,0,1|0,1,1]=4 77 B8R0.8 N[C](C(O)=O)CCCN BCP18679 [0,2,0,0,0,0|1,0,1]=4 78 B8R0.8 N[C](CCCN)C(O)=O BCP13629 [0,2,0,0,0,0|1,0,1]=4 79 B8R0.8 O=C([O-])C(O)CCSC BCP11942 [0,2,0,0,0,0|1,0,1]=4 80 B8R0.36 O=C(O)C(C)(CO)CO BCP05563 [0,2,0,0,0,0|1,1,0]=4 81 B8R0.37 NC(C(C)C)(C)C(N)=O BCP14288 [0,2,0,0,0,0|2,0,0]=4 82 B8R0.27 NC(C(C)(C)C)C(=O)O BCP15485 [0,2,0,0,0,0|1,0,0]=3 83 B8R0.27 N[C@@H](C(O)=O)C(C)(S)C BCP17247 [0,2,0,0,0,0|0,0,0]=2 84 B8R0.27 N[C](C(O)=O)C(C)(C)C BCP04717 [0,2,0,0,0,0|1,0,1]=4 85 B6R1.2 O=C1COCC1 BCP14176 [1,0,0,1,0,0|1,1,0]=4 86 B6R1.2 O=C1NCCC1 BCP15175 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.4 O=C1CC(N)CCN1 BCP07513 [0,0,0,1,0,1|2,0,0]=4 88 B8R1.34 O=C(O)CC1CCC1 BCP15064 [0,0,0,1,0,1|2,0,0]=4 89 B8R1.5 O=C1C(O)CCCO1 BCP06471 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.7 O=C(O)C1CNCC1 BCP04865 [0,1,0,1,0,0|1,0,0]=3 91 B8R1.7 O=C([C]1NCSC1)O BCP13616 [0,1,0,1,0,0|0,0,1]=3 92 B8R1.7 OC(=O)C1COCC1 BCP08172 [0,1,0,1,0,0|1,1,0]=4 93 B8R1.23 CN1CC(C1)C(=O)O BCP08430 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.23 O=C(C1CC(C1)=O)O BCP01232 [0,1,0,1,0,0|1,1,0]=4 95 B8R1.23 O=C(C1CC(N1)=O)O BCP06201 [0,1,0,1,0,0|0,1,0]=3 96 B8R1.23 O=C(O)[C@@H]1C[C@@H](N)C1 BCP04214 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.54 O=C(O)[C@@H](N)C1CC1 BCP11588 [0,1,0,1,0,0|1,0,0]=3 98 B8R1.39 COC(=O)C1(Br)CC1 BCP14088 [0,1,0,1,0,0|2,0,0]=4 99 B8R1.77 O=C(C1C(F)(F)C1)O BCP19593 [0,1,0,1,0,0|2,0,0]=4 100 B8R0.9 C=CC(N)CCC(O)=O BCP16218 [0,0,0,0,0,2|1,0,1]=4 101 B8R0.9 C=C[C@@H](N)CCC(O)=O BCP09861 [0,0,0,0,0,2|1,0,1]=4