0 B7R0.6 CC(=O)NCC(=O)O 04-2739 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 O=C(Cl)CCC(=O)Cl 19-1216 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.6 O=C(O)CCC(=O)O 15-0400 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.6 O=C(O)\C=C/C(=O)O 022104 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.6 O=C(O)\C=C\C(=O)O 020723 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.9 CCC(=O)NCC(=O)O 41-0303 [0,1,0,0,0,0|2,0,1]=4 6 B8R0.9 COC(=O)CCC(=O)Cl 08-6945 [0,1,0,0,0,0|1,0,2]=4 7 B8R0.9 COC(=O)NCC(=O)O 04-2147 [0,1,0,0,0,0|1,0,1]=3 8 B8R0.9 NCC(=O)NCC(=O)O 04-1104 [0,1,0,0,0,0|2,0,1]=4 9 B8R0.9 O=C(O)CNC(=O)CCl 04-1014 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.9 O=C(O)CNC(=O)CO 19-1559 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.23 C=C(NC(C)=O)C(=O)O BIO-461 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 04-015 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 04-016 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.23 CC(=O)N[C@@H](C)C(=O)O BIO-475 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.23 NC(=O)C[C@H](N)C(=O)O 025771 [0,1,0,0,0,0|1,0,2]=4 16 B8R0.23 NC(=O)C[C@H](N)C(=O)O 04-331 [0,1,0,0,0,0|1,0,2]=4 17 B8R0.23 NC(=O)C[C@H](N)C(=O)O 06-1846 [0,1,0,0,0,0|1,0,2]=4 18 B8R0.23 NC(=O)C[C@H](N)C(=O)O 20-2407 [0,1,0,0,0,0|1,0,2]=4 19 B8R0.23 NC(=O)C[C@H](N)C(=O)O 22-1810 [0,1,0,0,0,0|1,0,2]=4 20 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 025511 [0,1,0,0,0,0|0,0,2]=3 21 B8R0.23 N[C@@H](CC(=O)O)C(=O)O BIO-038 [0,1,0,0,0,0|0,0,2]=3 22 B8R0.23 N[C@@H](CC(=O)O)C(=O)O BIO-114 [0,1,0,0,0,0|0,0,2]=3 23 B8R0.23 O=C(O)CC(=O)C(=O)O BIO-923 [0,1,0,0,0,0|0,0,1]=2 24 B8R0.23 O=C(O)C[C@H](O)C(=O)O 020741 [0,1,0,0,0,0|0,0,2]=3 25 B8R0.23 O=C(O)C[C@H](O)C(=O)O BIO-641 [0,1,0,0,0,0|0,0,2]=3 26 B8R0.29 O=C(O)\C=C\C(F)(F)F 27-281 [0,1,0,0,0,0|2,0,1]=4 27 B8R1.3 CC1=NNC(=O)C=C1 08-5381 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.3 OC1=CC=C(F)C=C1 21-138 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.3 OC1=CN=C(Br)C=C1 08-4933 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.3 OC1=CN=C(Cl)C=C1 08-1889 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.3 OC1=CN=C(F)C=C1 08-6021 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.3 OC1=CN=C(O)C=C1 08-9937 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.3 OC1=NN=C(Cl)C=C1 08-1887 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.23 O=C1CC(C(=O)O)C1 08-5737 [0,0,0,1,0,0|1,0,2]=4 35 B6R0.2 C[C@H](O)CC(=O)O 021350 [0,0,0,0,1,0|1,0,2]=4 36 B6R0.2 O=C(O)CC(=O)O 15-0300 [0,0,0,0,1,0|0,0,1]=2 37 B8R0.28 CC(=O)NCCC(=O)O 04-013 [0,0,0,0,0,1|1,0,2]=4 38 B8R0.28 O=C(O)CCCC(=O)O 15-0500 [0,0,0,0,0,1|0,0,2]=3 39 B5R0.1 C\C=C\C(=O)O 020716 [2,0,0,0,0,0|0,0,1]=3 40 B7R0.4 C\C=C\C=C\C(=O)O 020731 [1,1,0,0,0,0|1,0,0]=3 41 B7R0.5 C[C@H](NC=O)C(=O)O 04-1420 [1,1,0,0,0,0|1,0,1]=4 42 B9R0.1 O=C(O)CCNC(=O)CO 19-1455 [0,1,0,0,0,1|0,0,2]=4 43 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 025589 [0,1,0,0,0,1|0,0,2]=4 44 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O BIO-130 [0,1,0,0,0,1|0,0,2]=4 45 B9R0.7 O=C(O)CCC(=O)C(=O)O 04-1880 [0,1,0,0,0,1|0,0,1]=3 46 B9R0.7 O=C(O)CCC(=O)C(=O)O BIO-231 [0,1,0,0,0,1|0,0,1]=3 47 B9R0.7 O=C(O)CCC(=O)C(=O)O BIO-853 [0,1,0,0,0,1|0,0,1]=3 48 B9R0.7 O=C(O)CNC(=O)C(=O)O 08-406 [0,1,0,0,0,1|0,0,1]=3 49 B9R0.23 CN(CC(=O)O)C(=O)CO 19-1637 [0,2,0,0,0,0|1,0,1]=4 50 B9R0.24 COC(=O)CCC(=O)OC 25-0400 [0,2,0,0,0,0|0,0,2]=4 51 B9R0.42 COC(=O)C[C@H](N)C(=O)O 04-382 [0,2,0,0,0,0|0,0,2]=4 52 B9R0.11 O=C(O)CC(F)(F)C(=O)O 26-3363 [0,2,0,0,0,0|0,0,2]=4 53 B9R0.57 C=C(OP(=O)(O)O)C(=O)O BIO-684 [0,2,0,0,0,0|2,0,0]=4 54 B9R0.57 C=C(OP(=O)(O)O)C(=O)O BIO-932 [0,2,0,0,0,0|2,0,0]=4 55 B9R0.79 O=C(O)C(O)C(O)C(=O)O 020766 [0,2,0,0,0,0|0,0,2]=4 56 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O 04-2742 [0,2,0,0,0,0|0,0,2]=4 57 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O BIO-982 [0,2,0,0,0,0|0,0,2]=4 58 B7R1.3 O=C1C=CC=NN1 08-5629 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.3 OC1=NC=CC=C1 04-1828 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.35 CC1=CC(C(=O)O)=CS1 08-4020 [0,0,0,1,0,1|2,0,0]=4 61 B9R1.35 CC1=CN=C(C(=O)O)S1 08-4471 [0,0,0,1,0,1|1,1,0]=4 62 B9R1.35 CC1=CSC(C(=O)O)=N1 08-9182 [0,0,0,1,0,1|2,0,0]=4 63 B9R1.35 CC1=NC(C(=O)O)=CO1 08-7603 [0,0,0,1,0,1|2,0,0]=4 64 B9R1.35 CC1=NC(C(=O)O)=CS1 08-2449 [0,0,0,1,0,1|2,0,0]=4 65 B9R1.35 CC1=NC=C(C(=O)O)S1 08-9202 [0,0,0,1,0,1|1,1,0]=4 66 B9R1.35 NC1=CN=C(C(=O)O)S1 08-6297 [0,0,0,1,0,1|1,1,0]=4 67 B9R1.35 NC1=NC(C(=O)O)=CS1 08-3082 [0,0,0,1,0,1|2,0,0]=4 68 B9R1.35 NC1=NC(C(=O)O)=CS1 08-888 [0,0,0,1,0,1|2,0,0]=4 69 B9R1.35 NC1=NC=C(C(=O)O)S1 08-1502 [0,0,0,1,0,1|1,1,0]=4 70 B9R1.35 O=C(O)C1=CC(Br)=CS1 08-578 [0,0,0,1,0,1|2,0,0]=4 71 B9R1.35 O=C(O)C1=CC(Cl)=CS1 08-4312 [0,0,0,1,0,1|2,0,0]=4 72 B9R1.35 O=C(O)C1=CC=C(F)S1 08-7383 [0,0,0,1,0,1|1,1,0]=4 73 B9R1.35 O=C(O)C1=CN=C(Br)S1 08-977 [0,0,0,1,0,1|1,1,0]=4 74 B9R1.35 O=C(O)C1=CN=C(Cl)S1 08-1034 [0,0,0,1,0,1|1,1,0]=4 75 B9R1.35 O=C(O)C1=COC(Br)=C1 08-3441 [0,0,0,1,0,1|2,0,0]=4 76 B9R1.35 O=C(O)C1=CSC(Br)=N1 08-941 [0,0,0,1,0,1|2,0,0]=4 77 B9R1.35 O=C(O)C1=CSC(Cl)=C1 08-7013 [0,0,0,1,0,1|2,0,0]=4 78 B9R1.35 O=C(O)C1=CSC(Cl)=N1 08-1964 [0,0,0,1,0,1|2,0,0]=4 79 B9R1.35 O=C(O)C1=NC(Br)=CS1 08-6754 [0,0,0,1,0,1|2,0,0]=4 80 B9R1.1 COC1=NC=C(O)C=C1 08-6058 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.1 O=CC1=CC=C(O)C=C1 026096 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.1 O=CC1=CN=C(O)C=C1 08-9669 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.1 O=CC1=NC=C(O)C=C1 08-6038 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.1 O=CC1=NN=C(O)C=C1 08-8422 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.1 OCC1=CC=C(O)C=C1 01-840 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.69 CC1=CC(=O)NNC1=O 08-7525 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.69 OC1=CC(O)=C(O)C=C1 CS-929 [0,1,0,1,0,0|1,0,1]=4 88 B9R1.69 OC1=CC(S)=C(O)C=C1 08-10454 [0,1,0,1,0,0|1,1,0]=4 89 B5R0.5 C=C(F)C(=O)O 26-4713 [0,0,0,0,2,0|2,0,0]=4 90 B5R0.5 CC(=O)C(=O)O 020761 [0,0,0,0,2,0|1,0,0]=3 91 B5R0.5 C[C@H](O)C(=O)O BIO-636 [0,0,0,0,2,0|1,0,1]=4 92 B5R0.5 O=C(O)C(=O)O 15-0200 [0,0,0,0,2,0|0,0,0]=2 93 B9R0.55 O=C(O)CCCCC(=O)O 15-0600 [0,0,0,0,0,2|0,0,2]=4