0 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 BB32-3372 [1,0,0,0,0,0|1,0,1]=3 1 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 BB31-0164 [1,0,0,0,0,0|1,0,1]=3 2 B13R1.45 O=C(O)CNC(=O)C1=CC=CN=C1 BB52-0617 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.45 O=C(O)CNC(=O)C1=CC=NC=C1 BB53-0208 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=N1 BB53-0233 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.45 O=C(O)CNC(=O)C1=NC=CC=C1 BB53-0717 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 BB32-0723 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.158 O=C(O)CCCC1=C(O)C=CC=C1 BB32-1832 [1,0,0,0,0,0|0,0,1]=2 8 B13R1.158 O=C(O)CCOC1=C(Br)C=CC=C1 BB31-3294 [1,0,0,0,0,0|2,0,0]=3 9 B15R1.8020 CC1=C(S(=O)(=O)CCC(=O)O)C=CC=C1 BB20-6585 [0,1,0,0,0,0|2,0,0]=3 10 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=N2 BB31-4455 [0,0,0,1,0,0|3,0,0]=4 11 B15R2.6 O=C(O)CCC1=NN=C2C=CC=CN21 BB52-0907 [0,0,0,1,0,0|3,0,0]=4 12 B15R2.6 O=C(O)CCN1CCC2=CC=CC=C21 BB53-0132 [0,0,0,1,0,0|3,0,0]=4 13 B15R2.629 CC1=C(CC(=O)O)SC2=CC=CC=C21 BB52-8279 [0,0,0,1,0,0|1,1,1]=4 14 B15R2.629 O=C(O)CN1SC2=CC=CC=C2C1=O BB51-1164 [0,0,0,1,0,0|1,1,0]=3 15 B15R2.14951 O=C1CC(C(=O)O)CC2=C1C=CC=C2 BB32-3811 [0,0,0,1,0,0|1,0,0]=2 16 B13R1.168 CC1=C(C(=O)NCC(=O)O)SC=C1 BB52-9281 [0,0,0,0,1,0|3,0,0]=4 17 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F BB52-3340 [0,0,0,0,1,0|2,0,1]=4 18 B13R1.201 N[C@H](CC(=O)O)C1=C(O)C=CC=C1 BB31-7273 [0,0,0,0,1,0|1,0,1]=3 19 B12R1.252 O=C(O)CCSC1=NC=CC=C1 BB53-1033 [2,0,0,0,0,0|2,0,0]=4 20 B14R1.415 C[C@H](NC(=O)C1=CC=CN=C1)C(=O)O BB52-0583 [1,1,0,0,0,0|2,0,0]=4 21 B14R1.678 CC1=NC=C(C(=O)NCC(=O)O)C=C1 BB52-9900 [1,1,0,0,0,0|2,0,0]=4 22 B14R1.678 O=C(O)CCC(=O)C1=CC=C(O)C=C1 BB32-3517 [1,1,0,0,0,0|0,0,0]=2 23 B14R1.678 O=C(O)CNC(=O)C1=CC=C(O)C=C1 BB31-4304 [1,1,0,0,0,0|1,0,0]=3 24 B14R1.96 COC1=C(OCCC(=O)O)C=CC=C1 BB32-1054 [1,1,0,0,0,0|1,0,0]=3 25 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(C)C=CC=C1 BB31-8968 [0,2,0,0,0,0|1,0,1]=4 26 B14R1.4526 O=C(O)CCC(=O)NCC1=CC=CO1 BB53-0074 [0,0,1,1,0,0|1,0,1]=4 27 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 BB32-3835 [1,0,0,1,0,0|1,0,1]=4 28 B14R2.29285 O=C1CCS(=O)(=O)C2=C1C=CC=C2 BB32-0818 [1,0,0,1,0,0|1,0,1]=4 29 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 BB31-0567 [1,0,0,1,0,0|2,0,0]=4 30 B14R2.2 O=C(O)CC1=CSC2=C1C=CC=C2 BB31-5396 [0,0,0,1,1,0|1,1,0]=4 31 B16R2.3989 O=C(O)CC1NC2=CC=CC=C2NC1=O BB52-0992 [0,0,0,1,0,1|1,0,0]=3 32 B16R2.3989 O=C(O)CC1OC2=CC=CC=C2NC1=O BB51-1052 [0,0,0,1,0,1|0,0,0]=2 33 B16R2.3989 O=C(O)CC1SC2=CC=CC=C2NC1=O BB51-0153 [0,0,0,1,0,1|0,1,0]=3 34 B16R2.3270 O=C(O)C1CSC(C2=CC=CC=C2O)N1 BB52-0846 [0,0,0,1,0,1|1,0,1]=4 35 B16R2.3356 O=C(O)CCN1CC2=C(C=CC=C2)C1=O BB52-0756 [0,0,0,1,0,1|1,0,0]=3 36 B16R2.3356 O=C(O)CCN1SC2=CC=CC=C2C1=O BB52-0955 [0,0,0,1,0,1|0,1,0]=3 37 B16R2.83538 O=C(O)CN1C=NC2=CC=CC=C2C1=O BB52-0778 [0,1,0,1,0,0|2,0,0]=4 38 B16R2.83538 O=C(O)CN1N=NC2=CC=CC=C2C1=O BB52-0772 [0,1,0,1,0,0|2,0,0]=4 39 B16R2.3355 CC(C(=O)O)N1SC2=CC=CC=C2C1=O BB51-1165 [0,1,0,1,0,0|1,1,0]=4 40 B16R2.3355 C[C@@H](C(=O)O)N1CC2=CC=CC=C2C1=O BB52-0588 [0,1,0,1,0,0|2,0,0]=4 41 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(Br)C=C2 BB32-2222 [0,1,0,1,0,0|2,0,0]=4 42 B16R2.4003 O=C(O)CCC1C(=O)NC2=C1C=CC=C2 BB52-0647 [0,1,0,1,0,0|1,0,1]=4 43 B12R1.54 O=C(O)CCC(=O)N1C=CN=C1 BB52-9283 [1,0,0,0,1,0|2,0,0]=4 44 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 BB31-5440 [1,0,0,0,1,0|1,0,1]=4 45 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 BB31-5414 [1,0,0,0,1,0|1,0,1]=4 46 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 BB31-8656 [1,0,0,0,1,0|2,0,0]=4 47 B12R1.124 NC(C(=O)O)C1=C(O)C=CC=C1 BB31-4343 [0,0,0,0,2,0|1,0,1]=4 48 B12R1.124 NC1=C(C(=O)C(=O)[O-])C=CC=C1 BB31-3615 [0,0,0,0,2,0|1,0,1]=4 49 B12R1.124 O=C(O)C(=O)C1=C(Cl)C=CC=C1 BB31-4381 [0,0,0,0,2,0|1,0,0]=3 50 B14R1.420 O=C(O)CCNC(=O)C1=CC=NC=C1 BB53-0917 [1,0,0,0,0,1|1,0,0]=3 51 B14R1.420 O=C(O)CCNC(=O)C1=CN=CC=C1 BB53-1088 [1,0,0,0,0,1|1,0,0]=3 52 B14R1.420 O=C(O)CCNC(=O)C1=CN=CC=N1 BB52-9623 [1,0,0,0,0,1|2,0,0]=4 53 B14R1.420 O=C(O)CCNC(=O)C1=NC=CC=C1 BB53-1066 [1,0,0,0,0,1|1,0,0]=3 54 B14R1.4488 CC1=C(C(=O)NCCC(=O)O)SC=C1 BB53-0226 [0,0,0,0,1,1|2,0,0]=4