0 B11R1.91 O=C(O)CCC1=NC=CC=N1 F13615 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.91 O=C(O)CNC1=CN=CC=C1 C75069 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 NNCCC1=CC=CC=C1 74134 [1,0,0,0,0,0|2,0,0]=3 3 B12R1.21 O=C(O)CCC1=CN=C(F)C=C1 72627 [0,1,0,0,0,0|2,0,1]=4 4 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 D85212 [0,1,0,0,0,0|2,0,1]=4 5 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 D85249 [0,1,0,0,0,0|2,0,1]=4 6 B12R1.125 CC1=C(CCC(=O)O)C=CN=C1 72786 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.125 O=C(O)CCC1=C(Br)C=CC=N1 F30873 [0,1,0,0,0,0|2,0,1]=4 8 B12R1.226 CC1=CC(CCC(=O)O)=NC=C1 71960 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.226 CN(C)CCC1=CC=CC(Br)=C1 F52728 [0,1,0,0,0,0|2,0,0]=3 10 B12R2.22 NC1CC(C2=CC=CC=C2)C1 D96745 [0,0,0,1,0,0|1,0,0]=2 11 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 38953 [0,0,0,1,0,0|1,0,0]=2 12 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 D96746 [0,0,0,1,0,0|1,0,0]=2 13 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D79125 [0,0,0,1,0,0|2,0,0]=3 14 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D96708 [0,0,0,1,0,0|2,0,0]=3 15 B12R2.24 C[C@H]1CNC2=C(C=CC=N2)O1 D96433 [0,0,0,1,0,0|2,0,0]=3 16 B12R2.2403 CC1(C)CNC2=NC=CC=C21 85483 [0,0,0,1,0,0|3,0,0]=4 17 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 37675 [0,0,0,1,0,0|2,0,0]=3 18 B12R1.252 CC(C)OCCC1=NC=CC=C1 D72165 [0,0,0,0,0,1|2,0,0]=3 19 B9R1.8 CSCC1=NC=CC=C1 W19655 [2,0,0,0,0,0|2,0,0]=4 20 B11R1.24 CCNCC1=CC(Br)=CN=C1 78915 [1,1,0,0,0,0|2,0,0]=4 21 B11R1.28 CCOCCC1=NC=CC=C1 D72160 [1,1,0,0,0,0|1,0,0]=3 22 B11R1.28 OCCCOC1=CC=NC=C1 W19282 [1,1,0,0,0,0|1,0,0]=3 23 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13611 [1,1,0,0,0,0|0,0,0]=2 24 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13862 [1,1,0,0,0,0|0,0,0]=2 25 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98059 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14339 [0,1,0,0,1,0|1,0,0]=3 27 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 Y10854 [0,1,0,0,1,0|0,0,0]=2 28 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15521 [0,1,0,0,1,0|0,0,0]=2 29 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 Y10855 [0,1,0,0,1,0|0,0,0]=2 30 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 Y11162 [0,1,0,0,1,0|0,0,0]=2 31 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 D78838 [0,1,0,0,1,0|1,0,1]=4 32 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 D96033 [0,1,0,0,1,0|1,0,0]=3 33 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 D96393 [0,1,0,0,1,0|1,0,0]=3 34 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 C78126 [0,1,0,0,0,1|2,0,0]=4 35 B13R1.348 C[C@@H](CC(=O)O)OC1=CC=CC=C1 W19103 [0,1,0,0,0,1|1,0,1]=4 36 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 Y13617 [0,2,0,0,0,0|1,0,1]=4 37 B13R1.512 CC(C)(C)CCC1=CC=C(N)C=C1 W13066 [0,2,0,0,0,0|1,0,0]=3 38 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O Y11468 [0,2,0,0,0,0|1,0,1]=4 39 B13R1.202 NC1=C(C[C@H](N)C(=O)O)C=CC=C1 Y12214 [0,2,0,0,0,0|1,0,1]=4 40 B13R1.202 NC1=C(C[C@H](N)C(=O)O)C=CC=C1 Y13935 [0,2,0,0,0,0|1,0,1]=4 41 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 32287 [0,2,0,0,0,0|1,0,1]=4 42 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 50826 [0,2,0,0,0,0|1,0,1]=4 43 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O F15185 [0,2,0,0,0,0|1,0,1]=4 44 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 Y13612 [0,2,0,0,0,0|1,0,1]=4 45 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 Y13656 [0,2,0,0,0,0|1,0,1]=4 46 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 C75482 [0,2,0,0,0,0|1,0,1]=4 47 B13R1.3787 CC1=CC=CC(C)=C1OC[C@H](C)N 83631 [0,2,0,0,0,0|2,0,0]=4 48 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [1,0,0,1,0,0|0,0,0]=2 49 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11132 [1,0,0,1,0,0|2,0,0]=4 50 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10468 [1,0,0,1,0,0|2,0,0]=4 51 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [1,0,0,1,0,0|0,0,0]=2 52 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P19281 [1,0,0,1,0,0|1,0,0]=3 53 B11R2.20 C1=CC2=C(C=N1)CCNC2 C75219 [1,0,0,1,0,0|2,0,0]=4 54 B11R2.239 C1=CC=C(C2CNC2)C=C1 P11102 [1,0,0,1,0,0|1,0,0]=3 55 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 93643 [0,0,0,1,1,0|2,0,0]=4 56 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 65712 [0,0,0,1,0,1|0,0,2]=4 57 B13R2.163 N[C@H]1CCOC2=C(C=CC=C2)C1 F50699 [0,0,0,1,0,1|1,0,0]=3 58 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 D83922 [0,0,0,1,0,1|1,0,1]=4 59 B13R2.219 FC1(F)CN[C@@H]1C2=CC=CC=C2 P18625 [0,0,0,1,0,1|2,0,0]=4 60 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 F52068 [0,0,0,1,0,1|1,0,1]=4 61 B13R2.3122 CC1(C)CCNC2=CC=CN=C21 95781 [0,0,0,1,0,1|2,0,0]=4 62 B13R2.3122 FC1(F)CNCC2=C1C=CC=C2 71341 [0,0,0,1,0,1|2,0,0]=4 63 B13R2.155 N[C@H]1CCC2=C(C=C(Cl)C=C2)C1 20168 [0,1,0,1,0,0|1,0,0]=3 64 B13R2.3791 CC1(C)NCC2=C1C=C(Br)C=C2 P16608 [0,1,0,1,0,0|2,0,0]=4 65 B13R2.32 NC1C2=C(C=CC=C2)CCC1O D84305 [0,1,0,1,0,0|0,0,0]=2 66 B13R2.57 BrC[C@H]1COC2=C(C=CC=C2)O1 I10587 [0,1,0,1,0,0|1,0,0]=3 67 B13R2.57 NC[C@H]1COC2=C(C=CC=C2)O1 AC9796 [0,1,0,1,0,0|1,0,0]=3 68 B13R2.57 NC[C@H]1COC2=C(C=CC=C2)O1 FD6050 [0,1,0,1,0,0|1,0,0]=3 69 B13R2.57 O=C[C@@H]1CCC2=C(C=CC=C2)O1 50359 [0,1,0,1,0,0|0,0,1]=3 70 B13R2.444 O=C(CC1=CC=CC=C1)C2CC2 Y14016 [0,1,0,1,0,0|1,0,1]=4 71 B13R2.328 CC1CC(C)C2=C(C=CC=C2)N1 C73677 [0,1,0,1,0,0|1,0,0]=3 72 B13R2.4848 NC1=CC=CC2=C1CCC2(F)F Y14668 [0,1,0,1,0,0|2,0,0]=4 73 B13R2.5179 CC1=CC=CC2=C1CCC(=O)C2 H10281 [0,1,0,1,0,0|0,0,2]=4 74 B13R2.5179 O=C1CCC2=C(F)C=CC=C2C1 Y11718 [0,1,0,1,0,0|0,0,2]=4 75 B13R2.151 NC1CC(C2=CC=CC(Cl)=C2)C1 P20520 [0,1,0,1,0,0|1,0,0]=3 76 B13R2.3108 CC1(C)NCC2=C1C=CC(Br)=C2 P13035 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.13023 CC1(C)CNC2=CC=CC(Br)=C21 51374 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.13023 CC1(C)CNC2=CC=CC(F)=C21 85470 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.13 C[C@H](N)CC1=CSC=C1 89731 [0,0,0,0,2,0|2,0,0]=4