0 B9R1.35 NC1=NN=C(C(=O)O)N1 BBS-00026194 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 BBS-00025214 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.35 O=C(O)C1CC(O)CN1 BBS-00023374 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 O=C1C=C(C(=O)O)NN1 BBS-00007050 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 O=C1C=C(C(=O)O)ON1 BBS-00029618 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 O=C1CC(C(=O)O)CN1 BBS-00024553 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 O=C1NC=C(C(=O)O)N1 BBS-00017726 [0,0,0,0,0,0|1,0,2]=3 7 B9R1.35 O=C1NCC(C(=O)O)O1 BBS-00024565 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 BBS-00036973 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.1 O=C1CC[C@H](CO)N1 BBS-00032709 [1,0,0,0,0,0|0,0,1]=2 10 B8R1.1 O=C1NC(CO)CO1 BBS-00024568 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.1 O=CC1CCC(=O)N1 BBS-00025921 [1,0,0,0,0,0|0,0,0]=1 12 B8R1.7 O=C(O)C1=CC=CN1 BBS-00034546 [1,0,0,0,0,0|0,0,3]=4 13 B8R1.7 O=C(O)C1=CN=CN1 BBS-00025657 [1,0,0,0,0,0|1,0,2]=4 14 B8R1.7 O=C(O)C1CCCN1 BBS-00028435 [1,0,0,0,0,0|0,0,1]=2 15 B8R1.7 O=C(O)C1CCCO1 BBS-00038772 [1,0,0,0,0,0|1,0,1]=3 16 B8R1.7 O=C(O)C1CSCN1 BBS-00007512 [1,0,0,0,0,0|1,0,1]=3 17 B8R1.7 O=C(O)C1NCCS1 BBS-00038422 [1,0,0,0,0,0|1,0,1]=3 18 B8R1.7 O=C(O)[C@@H]1CCCN1 BBS-00039165 [1,0,0,0,0,0|0,0,1]=2 19 B8R1.7 OC(O)=C1CCCN1 BBS-00038898 [1,0,0,0,0,0|0,0,3]=4 20 B10R1.31 O=NN1CCC(C(=O)O)C1 BBS-00037047 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.55 O=C1CCC(C(F)(F)F)N1 BBS-00026963 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.58 CN1CC(C(=O)O)CC1=O BBS-00010998 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.58 CN1CC(C(N)=O)CC1=O BBS-00029910 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.359 CC1(C)N[C@H](C(=O)O)CS1 BBS-00032262 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.359 C[Si]1(C)CCC(C(=O)O)C1 BBS-00030056 [0,1,0,0,0,0|2,1,0]=4 26 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 BBS-00005260 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.359 O=C([O-])C1CCS(=O)(=O)C1 BBS-00039317 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.8 CCCCC(N)C(=O)O BBS-00028478 [0,0,1,0,0,0|1,0,1]=3 29 B8R0.8 CSCC[C@H](N)C(=O)O BBS-00028072 [0,0,1,0,0,0|2,0,0]=3 30 B8R0.8 NCCCC(N)C(=O)O BBS-00028696 [0,0,1,0,0,0|1,0,1]=3 31 B8R0.9 COC(=O)CCC(=O)Cl BBS-00025939 [0,0,1,0,0,0|3,0,0]=4 32 B8R0.15 C=CCC(CC)C(=O)O BBS-00018165 [0,0,1,0,0,0|2,0,0]=3 33 B8R0.23 C=C(NC(C)=O)C(=O)O BBS-00024555 [0,0,1,0,0,0|0,0,2]=3 34 B8R0.23 NC(=O)CC(N)C(=O)O BBS-00028459 [0,0,1,0,0,0|3,0,0]=4 35 B8R0.23 NC(CC(=O)O)C(=O)O BBS-00028490 [0,0,1,0,0,0|3,0,0]=4 36 B8R0.23 N[C@@H](CC(=O)O)C(=O)O BBS-00039167 [0,0,1,0,0,0|3,0,0]=4 37 B8R0.23 O=C(O)CC(S)C(=O)O BBS-00020845 [0,0,1,0,0,0|3,0,0]=4 38 B8R0.28 CN(C)CCCC(=O)O BBS-00027570 [0,0,1,0,0,0|3,0,0]=4 39 B8R0.28 NC(=O)NCCC(=O)O BBS-00025528 [0,0,1,0,0,0|1,0,0]=2 40 B8R1.23 CC1CC(C(=O)O)C1 BBS-00025082 [0,0,0,0,1,0|2,0,1]=4 41 B8R1.23 O=C1CC(C(=O)O)C1 BBS-00024091 [0,0,0,0,1,0|1,0,0]=2 42 B10R1.13 NC(=O)C1=NNC(=O)CC1 BBS-00019955 [0,0,0,0,0,1|1,0,1]=3 43 B10R1.13 O=C(O)C1CCC(F)CC1 BBS-00029415 [0,0,0,0,0,1|2,0,1]=4 44 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BBS-00003758 [0,0,0,0,0,1|0,0,3]=4 45 B10R1.13 O=C1CCC(C(=O)O)=NN1 BBS-00006915 [0,0,0,0,0,1|0,0,1]=2 46 B10R1.113 O=C(O)C1CCCC(F)C1 BBS-00030021 [0,0,0,0,0,1|2,0,1]=4 47 B10R1.113 O=C1CCCC(C(=O)O)C1 BBS-00029913 [0,0,0,0,0,1|1,0,0]=2 48 B7R0.4 CNCCCC(=O)O BBS-00027557 [1,0,1,0,0,0|2,0,0]=4 49 B7R0.4 COCCCC(=O)O BBS-00025182 [1,0,1,0,0,0|2,0,0]=4 50 B7R0.4 NCCCCC(=O)O BBS-00027472 [1,0,1,0,0,0|0,0,1]=3 51 B7R0.5 CCCC(N)C(=O)O BBS-00028258 [1,0,1,0,0,0|0,0,1]=3 52 B7R0.5 CSC[C@H](N)C(=O)O BBS-00012287 [1,0,1,0,0,0|1,0,1]=4 53 B7R0.5 NCC[C@H](N)C(=O)O BBS-00029762 [1,0,1,0,0,0|1,0,0]=3 54 B7R0.6 CC(=O)CCC(C)=O BBS-00004255 [1,0,1,0,0,0|2,0,0]=4 55 B7R0.6 CC(=O)NCC(=O)O BBS-00027759 [1,0,1,0,0,0|0,0,0]=2 56 B7R0.15 CCC(CC)C(=O)O BBS-00028436 [1,0,1,0,0,0|1,0,1]=4 57 B7R1.2 O=C1CCC(=O)N1 BBS-00004334 [2,0,0,0,0,0|0,0,1]=3 58 B7R1.2 O=C1CSC(=O)N1 BBS-00008833 [2,0,0,0,0,0|1,0,1]=4 59 B9R0.7 CS(=O)CCC(N)C(=O)O BBS-00034064 [0,1,1,0,0,0|1,0,0]=3 60 B9R0.7 NC(CCC(=O)O)C(=O)O BBS-00028400 [0,1,1,0,0,0|0,0,0]=2 61 B9R0.7 O=C(O)CCC(=O)C(=O)O BBS-00028522 [0,1,1,0,0,0|1,0,1]=4 62 B9R0.47 NCCCC[C@H](N)C(=O)O BBS-00028071 [0,1,1,0,0,0|1,0,1]=4 63 B9R0.24 COC(=O)CCC(=O)OC BBS-00004425 [0,1,1,0,0,0|2,0,0]=4 64 B9R0.64 CCS(=O)(=O)NCC(=O)O BBS-00032737 [0,1,1,0,0,0|1,0,0]=3 65 B9R0.39 CC(=O)NC(CS)C(=O)O BBS-00028726 [0,1,1,0,0,0|1,0,0]=3 66 B9R0.1 CCC(=O)NCCC(=O)O BBS-00021059 [0,1,1,0,0,0|2,0,0]=4 67 B9R0.1 COC(=O)CCC[N+](=O)[O-] BBS-00029659 [0,1,1,0,0,0|2,0,0]=4 68 B9R0.53 NN(CC(=O)O)CC(=O)O BBS-00039032 [0,1,1,0,0,0|2,0,0]=4 69 B9R1.11 COC(=O)[C@@H]1CSCN1 BBS-00031009 [1,1,0,0,0,0|1,0,1]=4 70 B9R1.11 COC(=O)[C@@H]1CSCN1 BBS-00033483 [1,1,0,0,0,0|1,0,1]=4 71 B9R1.163 NC1(C(=O)O)CCCC1 BBS-00016507 [1,1,0,0,0,0|1,0,1]=4 72 B9R1.163 O=C(O)C1(O)CCCC1 BBS-00028869 [1,1,0,0,0,0|1,0,1]=4 73 B9R1.82 COC(=O)N1CC(=O)C1 BBS-00036908 [0,1,0,0,1,0|2,0,0]=4 74 B9R1.95 O=NN1CC(C(=O)O)C1 BBS-00037048 [0,1,0,0,1,0|2,0,0]=4 75 B11R1.21 CN1N=C(C(=O)O)CCC1=O BBS-00001453 [0,1,0,0,0,1|0,0,1]=3 76 B11R1.22 COC(=O)C1=NNC(=O)CC1 BBS-00019952 [0,1,0,0,0,1|0,0,1]=3 77 B11R1.22 NNC(=O)C1=NNC(=O)CC1 BBS-00019973 [0,1,0,0,0,1|1,0,1]=4 78 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 BBS-00026991 [0,1,0,0,0,1|1,0,0]=3 79 B11R1.645 O=C(O)CC1NC(=O)NC1=O BBS-00005331 [0,1,0,0,0,1|1,0,1]=4 80 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 BBS-00004891 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.23 COC(=O)C1CNNC(=O)C1 BBS-00020226 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 BBS-00032735 [0,2,0,0,0,0|1,0,1]=4 83 B11R1.489 CC1(C)OC(=O)CC1C(=O)O BBS-00030806 [0,2,0,0,0,0|2,0,0]=4 84 B7R0.16 CC(=O)C(Cl)C(C)=O BBS-00027736 [0,0,1,0,1,0|2,0,0]=4 85 B7R0.16 CC(C(N)=O)C(N)=O BBS-00023360 [0,0,1,0,1,0|2,0,0]=4 86 B7R1.18 NC(=O)C1CCC1 BBS-00025117 [1,0,0,0,1,0|1,0,1]=4 87 B7R1.18 O=C(O)C1CNC1 BBS-00022024 [1,0,0,0,1,0|1,0,1]=4 88 B9R0.55 NC(=O)NCCCC(=O)O BBS-00012973 [0,0,1,0,0,1|0,0,0]=2 89 B9R1.13 O=C(O)CC1CCCC1 BBS-00028479 [1,0,0,0,0,1|1,0,1]=4 90 B9R1.13 O=C(O)CC1CCCO1 BBS-00023393 [1,0,0,0,0,1|1,0,1]=4