0 B12R1.8 O=CCCOCC1=CC=CC=C1 B1995 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.28 CCOC=NC1=CC=CC=C1 E50019 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.28 O=CCCCOCC1=CC=CC=C1 B15727 [0,1,0,0,0,0|1,0,2]=4 6 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 E69409 [0,1,0,0,0,0|1,0,2]=4 7 B13R2.3 C1=CC=C(C2=CC=NC=C2)C=C1 P69068 [0,0,0,1,0,0|2,0,1]=4 8 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 P0629 [0,0,0,1,0,0|1,0,1]=3 9 B13R2.3 C1=CC=C(C2=NC=CC=C2)C=C1 P67859 [0,0,0,1,0,0|2,0,1]=4 10 B13R2.3 C1=CC=C(C2=NC=NC=C2)C=C1 P53630 [0,0,0,1,0,0|2,0,1]=4 11 B13R2.15 O=C1NCCN1C2=CC=CC=C2 P61718 [0,0,0,1,0,0|2,0,1]=4 12 B13R2.1613 O=CC1=CC=CC2=CC=CN=C12 Q3935 [0,0,0,1,0,0|2,0,1]=4 13 B13R2.1613 O=CC1=CC=CC2=CC=NC=C12 I9346 [0,0,0,1,0,0|2,0,1]=4 14 B13R2.1613 O=CC1=CC=CC2=CN=CC=C12 Q4921 [0,0,0,1,0,0|2,0,1]=4 15 B13R2.1613 O=CC1=CN=CC2=CC=CC=C21 I3897 [0,0,0,1,0,0|2,0,1]=4 16 B13R2.1613 O=CC1=NC=CC2=CC=CC=C21 Q53566 [0,0,0,1,0,0|2,0,0]=3 17 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 T16671 [0,0,0,1,0,0|2,0,1]=4 18 B13R2.5252 O=C1CCNCC2=C1C=CC=C2 D64500 [0,0,0,1,0,0|2,0,1]=4 19 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 T52555 [0,0,0,1,0,0|1,0,2]=4 20 B13R2.5252 O=C1NCCNC2=C1C=CC=C2 D69503 [0,0,0,1,0,0|2,0,1]=4 21 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.17 C=COCC1=CC=CC=C1 B26636 [2,0,0,0,0,0|1,0,0]=3 23 B10R1.17 CCOCC1=CC=CC=C1 E50267 [2,0,0,0,0,0|1,0,1]=4 24 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [2,0,0,0,0,0|0,0,2]=4 25 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [2,0,0,0,0,0|0,0,2]=4 26 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 X51780 [1,1,0,0,0,0|1,0,0]=3 27 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [1,1,0,0,0,0|1,0,1]=4 29 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [1,1,0,0,0,0|1,0,1]=4 30 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 X67662 [0,2,0,0,0,0|1,0,1]=4 31 B14R1.156 C=CCOC(=O)C=CC1=CC=CC=C1 A39675 [0,2,0,0,0,0|1,0,1]=4 32 B12R2.1 O=CC1=C2C=CC=CN2C=C1 K61492 [1,0,0,1,0,0|1,0,1]=4 33 B12R2.1 O=CC1=COC2=C1C=CC=C2 B23789 [1,0,0,1,0,0|1,0,1]=4 34 B12R2.1 O=CC1=CSC2=C1C=CC=C2 B67477 [1,0,0,1,0,0|1,0,1]=4 35 B12R2.2 C1=CC=C(C2=CC=CN2)C=C1 P38157 [1,0,0,1,0,0|1,0,1]=4 36 B12R2.2 C1=CC=C(C2=CC=CS2)C=C1 P53834 [1,0,0,1,0,0|0,1,1]=4 37 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 P68097 [1,0,0,1,0,0|1,0,1]=4 38 B12R2.2 C1=CC=C(C2=CN=CS2)C=C1 P51246 [1,0,0,1,0,0|1,1,0]=4 39 B12R2.2 C1=CC=C(C2=CNC=N2)C=C1 P68881 [1,0,0,1,0,0|2,0,0]=4 40 B12R2.2 C1=CC=C(C2=CNN=C2)C=C1 P16046 [1,0,0,1,0,0|2,0,0]=4 41 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 P51158 [1,0,0,1,0,0|1,0,0]=3 42 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [1,0,0,1,0,0|0,0,2]=4 43 B12R2.1081 BrC1=NC=CC2=CC=CC=C21 B9353 [1,0,0,1,0,0|2,0,0]=4 44 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 C9354 [1,0,0,1,0,0|2,0,0]=4 45 B12R2.1081 FC1=CC=CC2=CC=CC=C12 F60518 [1,0,0,1,0,0|1,0,1]=4 46 B12R2.1081 IC1=CC=CC2=CC=CC=C12 K53502 [1,0,0,1,0,0|1,0,1]=4 47 B12R2.1081 NC1=NC=CC2=CC=CC=C21 I38093 [1,0,0,1,0,0|2,0,0]=4 48 B12R2.1081 O=C1C=COC2=C1C=CC=C2 C38489 [1,0,0,1,0,0|1,0,1]=4 49 B12R2.1081 O=C1CCNC2=C1C=CC=C2 D39113 [1,0,0,1,0,0|1,0,1]=4 50 B12R2.1081 O=C1CCOC2=C1C=CC=C2 C67858 [1,0,0,1,0,0|1,0,1]=4 51 B12R2.1081 O=C1COCC2=C1C=CC=C2 I4950 [1,0,0,1,0,0|1,0,1]=4 52 B12R2.1081 O=C1CSCC2=C1C=CC=C2 T62209 [1,0,0,1,0,0|1,0,1]=4 53 B12R2.1081 O=C1NC=CC2=C1C=CC=N2 N14009 [1,0,0,1,0,0|2,0,0]=4 54 B12R2.1081 O=C1NC=CC2=C1C=NC=C2 N0385 [1,0,0,1,0,0|2,0,0]=4 55 B12R2.1081 O=C1NC=CC2=CC=CN=C12 N47869 [1,0,0,1,0,0|2,0,0]=4 56 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 H10800 [1,0,0,1,0,0|2,0,0]=4 57 B12R2.1081 O=C1NCCC2=C1C=CC=C2 D37571 [1,0,0,1,0,0|1,0,1]=4 58 B12R2.1081 O=C1OCCC2=C1C=CC=C2 C51549 [1,0,0,1,0,0|0,0,1]=3 59 B12R2.1081 OC1=NC=CC2=CC=CC=C21 H38444 [1,0,0,1,0,0|1,0,1]=4 60 B12R2.1081 [Mg+]C1=CC=CC2=CC=CC=C12 N31714 [1,0,0,1,0,0|1,0,1]=4 61 B14R2.8 O=CC1=CC(C2=CC=CC=C2)=CS1 P55306 [0,1,0,1,0,0|2,0,0]=4 62 B14R2.8 O=CC1=CC=C(C2=CC=CC=C2)O1 P55292 [0,1,0,1,0,0|1,0,1]=4 63 B14R2.8 O=CC1=NC(C2=CC=CC=C2)=CS1 P53594 [0,1,0,1,0,0|2,0,0]=4 64 B14R2.8 O=CC1=NC=C(C2=CC=CC=C2)N1 P38287 [0,1,0,1,0,0|2,0,0]=4 65 B14R2.8 O=CC1=NC=C(C2=CC=CC=C2)S1 P11945 [0,1,0,1,0,0|2,0,0]=4 66 B14R2.1131 O=CC1=CC=C(Br)C2=CC=CC=C12 B55213 [0,1,0,1,0,0|1,0,1]=4 67 B14R2.1131 O=CC1=CC=C(F)C2=CC=CC=C12 F55215 [0,1,0,1,0,0|1,0,1]=4 68 B14R2.1131 O=CC1=CC=C(O)C2=CC=CC=C12 H55291 [0,1,0,1,0,0|1,0,1]=4 69 B14R2.24 O=C1COCCN1C2=CC=CC=C2 P38229 [0,1,0,1,0,0|1,0,1]=4 70 B14R2.30 O=C1OCC=C1SC2=CC=CC=C2 P5648 [0,1,0,1,0,0|0,0,0]=2 71 B14R2.203 O=CC1=C(Br)C=CC2=CC=CC=C21 B55212 [0,1,0,1,0,0|1,0,1]=4 72 B14R2.203 O=CC1=C(O)C=CC2=CC=CC=C21 H69018 [0,1,0,1,0,0|1,0,1]=4 73 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 P53492 [0,1,0,1,0,0|0,0,1]=3 74 B14R2.19 O=C1C=C(SC2=CC=CC=C2)CO1 P5649 [0,1,0,1,0,0|1,0,0]=3 75 B14R2.19 O=C1C[C@H](CC2=CC=CC=C2)CO1 B54554 [0,1,0,1,0,0|0,0,2]=4 76 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B27980 [0,1,0,1,0,0|0,0,2]=4 77 B14R2.277 O=C1CCC(=O)N1C2=CC=CC=C2 P53916 [0,1,0,1,0,0|2,0,0]=4 78 B14R2.277 O=C1CNC(=O)N1C2=CC=CC=C2 P51384 [0,1,0,1,0,0|2,0,0]=4 79 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 D12993 [0,1,0,1,0,0|2,0,0]=4 80 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 I28232 [0,1,0,1,0,0|2,0,0]=4 81 B14R2.31359 CC(=O)C1=CC=CC2=CC=CC=C21 A69305 [0,1,0,1,0,0|1,0,1]=4 82 B14R2.31359 CC(=O)C1=NC=CC2=CC=CC=C21 Q55350 [0,1,0,1,0,0|2,0,0]=4 83 B14R2.31359 NC(=O)C1=CC=CC2=CC=CC=C21 N63556 [0,1,0,1,0,0|1,0,1]=4 84 B14R2.31359 O=C(O)C1=CC=CC2=CC=CC=C21 N69292 [0,1,0,1,0,0|1,0,1]=4 85 B14R2.31359 O=C(O)C1=NC=CC2=CC=CC=C21 Q4650 [0,1,0,1,0,0|2,0,0]=4