0 B10R1.11 C=CC[C@H](O)C1=CC=CO1 AT23581 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.11 CCCC(=O)C1=CCC=C1 F14009 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.11 CCNC(=O)N1C=CN=C1 AC6398 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.11 CCOC(=O)C1=CC=NN1 P10125 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.11 CCOC(=O)C1=CCCO1 D88118 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.11 CCOC(=O)C1=CN=CN1 W10269 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.11 CCC(=O)C1=CC=CO1 N11989 [1,0,0,0,0,0|0,0,0]=1 7 B9R1.11 CC[C@H](N)C1=CC=CS1 N12365 [1,0,0,0,0,0|1,1,1]=4 8 B9R1.11 COC(=N)C1=CC=CS1 77279 [1,0,0,0,0,0|2,1,0]=4 9 B9R1.11 COC(=O)C1=CC=NO1 F53681 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.11 COC(=O)C1=CN=CN1 P10322 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.11 COC(=O)N1C=CC=C1 F14789 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.12 CCCCC1=CCC=C1 F14008 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.15 CCOC(=O)C1=CC=C(C)O1 F16826 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.15 CCOC(=O)C1=CN(C)C=C1 AC6616 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.15 CCOC(=O)C1=CNC(S)=N1 D82357 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.15 CCOC(=O)C1=CSC(N)=N1 78387 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.15 CCOC(=O)C1=NC(C)=CS1 69755 [0,1,0,0,0,0|2,1,0]=4 18 B11R1.29 CCCOC(=O)C1=CC=CO1 D90636 [0,1,0,0,0,0|0,0,0]=1 19 B11R1.199 CCOC(=O)C1=C(Br)C=CN1 P20624 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.199 CCOC(=O)C1=NNC=C1I 38818 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.199 CCOC(=O)N1C=CC=C1Br AC4032 [0,1,0,0,0,0|3,0,0]=4 22 B11R2.2 C1=COC(C2OCCO2)=C1 D90060 [0,0,0,1,0,0|1,0,2]=4 23 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y12255 [0,0,0,0,0,1|2,0,1]=4 24 B11R1.16 CCC[C@H](N)C1=CC=CN=C1 N12309 [0,0,0,0,0,1|2,0,1]=4 25 B11R1.16 CCC[C@H](N)C1=NC=CC=C1 N12437 [0,0,0,0,0,1|2,0,1]=4 26 B11R1.16 CNOC(=O)C1=CC=CC=C1 T70697 [0,0,0,0,0,1|3,0,0]=4 27 B8R0.1 C=CCOC(=O)OCC D89384 [1,0,1,0,0,0|1,0,1]=4 28 B8R1.7 C=C(C)C1=CC=CO1 AC1466 [2,0,0,0,0,0|1,0,0]=3 29 B8R1.7 C=C(C)C1=CC=CS1 AC1467 [2,0,0,0,0,0|1,1,0]=4 30 B8R1.7 CC(=O)C1=CCC=C1 77833 [2,0,0,0,0,0|1,0,1]=4 31 B8R1.7 C[C@H](O)C1=CC=CO1 F17602 [2,0,0,0,0,0|0,0,2]=4 32 B8R1.7 O=C([O-])C1=CC=CS1 D80257 [2,0,0,0,0,0|1,1,0]=4 33 B8R1.8 CCCC1=CC=CO1 D92136 [2,0,0,0,0,0|0,0,0]=2 34 B8R1.8 CCNC1=CC=CS1 23456 [2,0,0,0,0,0|1,1,0]=4 35 B8R1.8 NCCC1=CC=CS1 F14846 [2,0,0,0,0,0|1,1,0]=4 36 B10R1.14 COC(=O)C1=CC(C)=CS1 H10305 [1,1,0,0,0,0|1,1,0]=4 37 B12R1.16 CCOC(=O)C1=NN=C(O)C=C1 78700 [0,1,0,0,0,1|2,0,0]=4 38 B12R1.16 COCC(=O)C1=CC=C(O)C=C1 C74644 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 D85905 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.17 CCOC(=O)C1=CN=CC(O)=C1 70809 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 D87530 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.30 CCCCC(=O)C1=CN=CC=C1 N12060 [0,1,0,0,0,1|1,0,0]=3 43 B12R1.30 O=C(NCCO)C1=CC=CC=C1 V10315 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 L10184 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.308 CCCC(=O)C1=NC=CC=C1C N12473 [0,1,0,0,0,1|1,0,0]=3 46 B12R1.308 CCOC(=O)C1=C(Cl)C=CN=C1 I11421 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.308 CCOC(=O)C1=CC=CNC1=O C90445 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.308 CCOC(=O)C1=CNC=CC1=O D83257 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.295 CO\N=C(/C(=O)O)C1=CC=CO1 D87514 [0,2,0,0,0,0|2,0,0]=4 50 B12R1.54 CN(C)\C=C\C(=O)C1=CC=CO1 31170 [0,2,0,0,0,0|0,0,2]=4 51 B12R1.460 CC1=C(C(=O)CCCCl)SC=C1 F11790 [0,2,0,0,0,0|0,1,0]=3 52 B10R1.10 CCCC1=CC(C)=CC=C1 D92006 [0,0,1,1,0,0|2,0,0]=4 53 B10R1.10 CCOC1=CC(O)=CC=C1 CK1178 [0,0,1,1,0,0|2,0,0]=4 54 B10R1.4 CCCC1=C(O)C=CC=C1 D86075 [0,0,1,1,0,0|1,0,0]=3 55 B10R1.4 OC1=C(CCBr)C=CC=C1 C78317 [0,0,1,1,0,0|2,0,0]=4 56 B12R2.2075 O=C(C1=CN=CC=C1)C2CC2 30696 [0,0,0,1,0,1|1,0,0]=3 57 B12R2.202 CC1=CC2=C(CCCC2=O)N1 89354 [0,1,0,1,0,0|2,0,0]=4 58 B12R2.202 O=C1CCCC2=C1C=C(Br)S2 D87013 [0,1,0,1,0,0|2,0,0]=4 59 B10R1.15 O=C(CBr)C1=NC=CC=C1 S10662 [1,0,0,0,0,1|2,0,0]=4 60 B10R1.15 O=C(CCl)C1=NC=CC=C1 H11612 [1,0,0,0,0,1|2,0,0]=4 61 B12R1.32 CNCC(=O)NC1=CC=CC=C1 L10077 [0,0,0,0,0,2|2,0,0]=4 62 B12R1.32 CSCC(=O)NC1=CC=CC=C1 L10078 [0,0,0,0,0,2|2,0,0]=4