0 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 5898AA [0,0,0,0,0,0|2,0,1]=3 1 B11R1.77 N[C@H](CC(=O)O)C1=CC=CS1 1420AC [0,0,0,0,0,0|2,1,1]=4 2 B10R1.11 CCCC(=O)C1=CC=CS1 Z5535 [1,0,0,0,0,0|0,1,1]=3 3 B10R1.11 CCOC(=O)C1=NC=CO1 W5476 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.11 N#CCC(=O)C1=CC=CO1 5051AH [1,0,0,0,0,0|1,0,1]=3 5 B10R1.11 N#CCC(=O)C1=CC=CS1 Z2423 [1,0,0,0,0,0|1,1,1]=4 6 B10R1.66 CC(=O)SCC1=CC=CO1 M900 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.66 CC(=O)\C=C\C1=CC=CS1 Z2375 [1,0,0,0,0,0|0,1,1]=3 8 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 6956AJ [0,1,0,0,0,0|0,0,0]=1 9 B12R2.246 CC1=CC(Br)=C2OC=CC2=C1 1530AE [0,0,0,1,0,0|2,0,1]=4 10 B12R2.246 O=C1NC(=O)C2=C(C=CS2)N1 W3535 [0,0,0,1,0,0|2,1,0]=4 11 B12R2.246 O=C1NC(=O)C2=CC=CN2N1 5514AC [0,0,0,1,0,0|3,0,0]=4 12 B12R2.246 O=C1NC2=C(SC=C2)C(=O)O1 9844AH [0,0,0,1,0,0|2,1,0]=4 13 B10R1.23 CN(O)C(=O)C1=CC=CO1 8602AL [0,0,0,0,1,0|1,0,1]=3 14 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 Y9163 [0,0,0,0,0,1|1,1,0]=3 15 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 8629AB [0,0,0,0,0,1|2,0,1]=4 16 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 4422AH [0,0,0,0,0,1|2,0,1]=4 17 B9R1.11 CCC(=O)C1=CC=CN1 2175AL [2,0,0,0,0,0|1,0,0]=3 18 B9R1.11 COC(=O)C1=CC=NO1 W3292 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.11 COC(=O)C1=CN=CO1 Y7252 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.11 CSC(=O)C1=CC=CO1 9771AJ [2,0,0,0,0,0|1,0,0]=3 21 B9R1.11 O=C(CBr)C1=CC=CN1 Z2515 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.11 O=C(CBr)C1=CC=CS1 Y6915 [2,0,0,0,0,0|1,1,0]=4 23 B11R1.15 CCCC(=O)C1=CC=C(C)S1 9890AE [1,1,0,0,0,0|0,1,1]=4 24 B11R1.29 CCCOC(=O)C1=CC=CO1 5636AL [1,1,0,0,0,0|0,0,1]=3 25 B11R1.29 CNCCC(=O)C1=CC=CS1 Z2651 [1,1,0,0,0,0|0,1,1]=4 26 B11R1.31 CON(C)C(=O)C1=CC=CO1 X5411 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.25 COC(=O)CCC1=CC=CN1 W7965 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.25 COC(=O)\C=C\C1=CC=CS1 Y8211 [1,1,0,0,0,0|0,1,1]=4 29 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O Q849 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O Q870 [1,1,0,0,0,0|1,0,1]=4 31 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 5378AB [0,1,0,0,0,1|1,0,0]=3 32 B13R1.152 CC(=O)C(C)C(=O)C1=CC=CC=C1 0244AC [0,1,0,0,0,1|1,0,0]=3 33 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 4330AE [0,1,0,0,0,1|2,0,0]=4 34 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 1811AE [0,1,0,0,0,1|2,0,0]=4 35 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=N1 8942AD [0,1,0,0,0,1|2,0,0]=4 36 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=NC=C1 8943AD [0,1,0,0,0,1|2,0,0]=4 37 B13R1.33 CCOC(=O)CC(=O)C1=CSC=C1 7525AB [0,2,0,0,0,0|2,0,0]=4 38 B11R1.156 CC(=O)C1=C(O)C=CC=C1Br W6967 [0,0,1,1,0,0|1,0,1]=4 39 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 8966AA [0,0,1,1,0,0|2,0,0]=4 40 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 9403AJ [0,0,1,1,0,0|2,0,0]=4 41 B11R2.1031 O=C(C1=CC=CS1)C2CC2 Q399 [1,0,0,1,0,0|0,1,1]=4 42 B9R1.13 O=C(O)CC1=CC=CO1 V2403 [1,0,0,0,1,0|1,0,0]=3 43 B11R1.16 CCCC(=O)C1=CC=NC=C1 8728AA [1,0,0,0,0,1|1,0,1]=4 44 B11R1.16 CCCC(=O)C1=CN=CC=C1 8727AA [1,0,0,0,0,1|1,0,1]=4 45 B11R1.16 CCCC(=O)C1=NC=CC=C1 V4534 [1,0,0,0,0,1|1,0,1]=4 46 B11R1.16 CCCC(=O)C1=NC=CN=C1 9293AB [1,0,0,0,0,1|1,0,1]=4 47 B11R1.91 CC(=O)CSC1=CC=CC=C1 4421AE [1,0,0,0,0,1|2,0,0]=4 48 B13R1.342 CC(C)CCOC(=O)C1=CC=CO1 5635AL [0,0,0,0,0,2|1,0,1]=4