0 B11R1.28 OCCCOC1=CC=NC=C1 W19282 [1,0,0,0,0,0|2,0,1]=4 1 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 C78126 [0,1,0,0,0,0|3,0,0]=4 2 B13R1.348 C[C@@H](CC(=O)O)OC1=CC=CC=C1 W19103 [0,1,0,0,0,0|1,0,0]=2 3 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 65712 [0,0,0,1,0,0|2,0,0]=3 4 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 D83922 [0,0,0,1,0,0|0,0,0]=1 5 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 F52068 [0,0,0,1,0,0|0,0,0]=1 6 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CN=CC=C2 P20201 [0,0,0,1,0,0|1,0,0]=2 7 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CN=CC=C2 C91236 [0,0,0,1,0,0|1,0,0]=2 8 B11R1.91 O=C(O)CCC1=NC=CC=N1 F13615 [0,0,0,0,1,0|2,0,0]=3 9 B11R1.91 O=C(O)CNC1=CN=CC=C1 C75069 [0,0,0,0,1,0|2,0,0]=3 10 B13R1.337 O=C(O)CCCCC1=CC=NC=C1 AT26198 [0,0,0,0,0,1|1,0,0]=2 11 B10R1.17 NNCCC1=CC=CC=C1 74134 [2,0,0,0,0,0|2,0,0]=4 12 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 Y13950 [1,1,0,0,0,0|0,0,1]=3 13 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 Y13951 [1,1,0,0,0,0|0,0,1]=3 14 B12R1.21 O=C(O)CCC1=CN=C(F)C=C1 72627 [0,1,0,0,1,0|1,0,0]=3 15 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 D85212 [0,1,0,0,1,0|1,0,0]=3 16 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 D85249 [0,1,0,0,1,0|1,0,0]=3 17 B12R1.125 CC1=C(CCC(=O)O)C=CN=C1 72786 [0,1,0,0,1,0|1,0,0]=3 18 B12R1.125 O=C(O)CCC1=C(Br)C=CC=N1 F30873 [0,1,0,0,1,0|1,0,0]=3 19 B12R1.226 CC1=CC(CCC(=O)O)=NC=C1 71960 [0,1,0,0,1,0|1,0,0]=3 20 B12R1.226 O=C(O)COC1=NC=CC(Cl)=C1 W18283 [0,1,0,0,1,0|2,0,0]=4 21 B14R1.420 C\C(=N/OCC(=O)O)C1=CC=CC=C1 78385 [0,1,0,0,0,1|1,0,1]=4 22 B14R1.420 N[C@@H](CCCC(=O)O)C1=CC=CC=C1 F16862 [0,1,0,0,0,1|0,0,0]=2 23 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Br)C=CC=C1 FD10120 [0,2,0,0,0,0|0,0,0]=2 24 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 D77067 [0,2,0,0,0,0|1,0,1]=4 25 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 38197 [1,0,0,1,0,0|0,0,1]=3 26 B12R2.27 N#CC1CC1C2=CC=CC=C2 78699 [1,0,0,1,0,0|1,0,1]=4 27 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 20130 [1,0,0,1,0,0|1,0,1]=4 28 B12R2.1081 O=C1CCNC2=C1C=CC=N2 W12418 [1,0,0,1,0,0|2,0,0]=4 29 B12R2.1081 O=C1CCOC2=C1C=NC=C2 F53452 [1,0,0,1,0,0|2,0,0]=4 30 B12R2.1081 O=C1COCC2=C1C=CC=N2 A10613 [1,0,0,1,0,0|2,0,0]=4 31 B12R2.24 O=C1CCC2=C(C=CC=N2)N1 66147 [0,0,0,1,1,0|2,0,0]=4 32 B12R2.1354 O=C(O)[C@H]1C[C@@H]1C2=CC=CS2 AT22395 [0,0,0,1,1,0|1,0,0]=3 33 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 T72344 [0,0,0,1,0,1|1,0,0]=3 34 B14R2.780 O=C(O)C1CCC1C2=CC=CC=C2 P19515 [0,0,0,1,0,1|0,0,0]=2 35 B14R2.780 O=C(O)[C@@H]1CC[C@@H]1C2=CC=CC=C2 P20289 [0,0,0,1,0,1|0,0,0]=2 36 B14R2.780 O=C(O)[C@H]1CC[C@@H]1C2=CC=CC=C2 P20290 [0,0,0,1,0,1|0,0,0]=2 37 B14R2.779 O=C(O)C1CN(C2=NC=CC=C2)C1 F52548 [0,1,0,1,0,0|2,0,0]=4 38 B14R2.29285 O=S1(=O)CC[C@H](O)C2=C1C=CC=C2 AT25658 [0,1,0,1,0,0|1,0,1]=4 39 B14R2.300 O=C(O)[C@@H]1CCC2=C1C=CC(F)=C2 69969 [0,1,0,1,0,0|0,0,0]=2 40 B14R2.8053 O=C(O)[C@@H]1CCC2=CC=CC(Cl)=C21 W14986 [0,1,0,1,0,0|0,0,0]=2 41 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)C1 85684 [0,1,0,1,0,0|1,0,0]=3 42 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=N2)C1 C14468 [0,1,0,1,0,0|1,0,0]=3 43 B14R2.8032 O=C(O)[C@@H]1CCC2=C(Cl)C=CC=C21 P20568 [0,1,0,1,0,0|0,0,0]=2 44 B14R2.28454 O=C1CCCC2=C(F)C=CC=C2N1 Y11350 [0,1,0,1,0,0|1,0,0]=3 45 B14R2.28454 O=C1CCCC2=C(F)C=CC=C2N1 Y11351 [0,1,0,1,0,0|1,0,0]=3 46 B14R2.20 O=C1C[C@H](C2=CC=C(Cl)C=C2)CN1 65722 [0,1,0,1,0,0|2,0,0]=4 47 B14R2.380 CC1=CC2=C(C=C1)CCCC(=O)N2 Y13655 [0,1,0,1,0,0|1,0,0]=3 48 B14R2.380 O=C1CCCC2=C(C=C(Cl)C=C2)N1 Y14331 [0,1,0,1,0,0|1,0,0]=3 49 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 W19711 [0,1,0,1,0,0|0,0,0]=2 50 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 58111 [0,1,0,1,0,0|0,0,0]=2 51 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 AC8131 [0,1,0,1,0,0|0,0,0]=2 52 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(F)C=C2 58129 [0,1,0,1,0,0|0,0,0]=2 53 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(F)C=C2 AC9772 [0,1,0,1,0,0|0,0,0]=2 54 B14R2.279 N[C@@H]1C(=O)NCCC2=C1C=CC=C2 D86155 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.18 O=C(O)CC1=NN=CC=C1 P15950 [0,0,0,0,2,0|2,0,0]=4