0 B11R1.28 CCOCCC1=NC=CC=C1 D72160 [1,0,0,0,0,0|2,0,0]=3 1 B11R1.28 OCCCOC1=CC=NC=C1 W19282 [1,0,0,0,0,0|2,0,0]=3 2 B13R1.42 O=C(CCBr)OCC1=CC=CC=C1 D72702 [0,1,0,0,0,0|2,0,1]=4 3 B13R1.337 O=C(O)CCCCC1=CC=NC=C1 AT26198 [0,1,0,0,0,0|1,0,1]=3 4 B13R2.3 C1=CC([C@@H]2CNCCN2)=CC=N1 W19550 [0,0,0,1,0,0|3,0,0]=4 5 B13R2.3 C1=CC([C@@H]2CNCCS2)=CN=C1 AR1253 [0,0,0,1,0,0|2,1,0]=4 6 B13R2.3 C1=CC([C@@H]2COCCN2)=CN=C1 AR1469 [0,0,0,1,0,0|3,0,0]=4 7 B13R2.3 C1=CN=C([C@@H]2CCCCN2)C=C1 Y14841 [0,0,0,1,0,0|2,0,0]=3 8 B13R2.3 C1=CN=C([C@H]2CCCNC2)C=C1 D96846 [0,0,0,1,0,0|3,0,0]=4 9 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 N10845 [0,0,0,1,0,0|2,0,0]=3 10 B13R2.15 OC1COCC1C2=CC=CC=C2 90595 [0,0,0,1,0,0|1,0,0]=2 11 B13R2.1613 CN[C@H]1CCCC2=C1C=CC=C2 N14195 [0,0,0,1,0,0|2,0,0]=3 12 B13R2.1613 CN[C@H]1CCCC2=C1C=CC=C2 N14196 [0,0,0,1,0,0|2,0,0]=3 13 B13R2.5252 N[C@H]1CCCOC2=C1C=CC=C2 I10902 [0,0,0,1,0,0|2,0,0]=3 14 B13R2.5252 O=C1CCNCC2=C1C=CC=C2 SC4031 [0,0,0,1,0,0|1,0,2]=4 15 B10R1.17 NNCCC1=CC=CC=C1 74134 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 Y13950 [1,1,0,0,0,0|0,0,0]=2 17 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 Y13951 [1,1,0,0,0,0|0,0,0]=2 18 B12R1.252 CC(C)OCCC1=NC=CC=C1 D72165 [1,1,0,0,0,0|2,0,0]=4 19 B14R1.14 C=CCCCCOC1=CC=C(O)C=C1 C11962 [0,2,0,0,0,0|1,0,1]=4 20 B14R1.420 N[C@@H](CCCC(=O)O)C1=CC=CC=C1 F16862 [0,2,0,0,0,0|0,0,1]=3 21 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 38197 [1,0,0,1,0,0|0,0,0]=2 22 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 CS3567 [1,0,0,1,0,0|2,0,0]=4 23 B12R2.27 N#CC1CC1C2=CC=CC=C2 78699 [1,0,0,1,0,0|1,0,1]=4 24 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W19334 [1,0,0,1,0,0|1,0,0]=3 25 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 20130 [1,0,0,1,0,0|1,0,0]=3 26 B12R2.1081 O[C@H]1CCOC2=NC=CC=C21 AT21149 [1,0,0,1,0,0|2,0,0]=4 27 B14R2.21 BrC1=CC([C@@H]2CCCCN2)=CC=C1 Y13637 [0,1,0,1,0,0|1,0,0]=3 28 B14R2.21 BrC1=CC([C@@H]2CCCCN2)=CC=C1 Y13693 [0,1,0,1,0,0|1,0,0]=3 29 B14R2.21 NC1CCOC(C2=CC=CC=C2)C1 C91898 [0,1,0,1,0,0|0,0,0]=2 30 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 T72344 [0,1,0,1,0,0|0,0,2]=4 31 B14R2.68 BrC1=CC=C([C@@H]2CCCCN2)C=C1 Y11796 [0,1,0,1,0,0|1,0,0]=3 32 B14R2.68 BrC1=CC=C([C@@H]2CNCCO2)C=C1 D96641 [0,1,0,1,0,0|1,0,0]=3 33 B14R2.68 CC1=CC=C([C@@H]2COCCN2)C=C1 Y11579 [0,1,0,1,0,0|2,0,0]=4 34 B14R2.68 CC1CN[C@H](C2=CC=CC=C2)CO1 F50189 [0,1,0,1,0,0|2,0,0]=4 35 B14R2.68 FC1=CC=C([C@@H]2COCCN2)C=C1 Y11243 [0,1,0,1,0,0|2,0,0]=4 36 B14R2.68 FC1=CC=C([C@@H]2COCCN2)C=C1 Y13936 [0,1,0,1,0,0|2,0,0]=4 37 B14R2.72 BrC1=CC=C(C[C@H]2CCCN2)C=C1 N13053 [0,1,0,1,0,0|1,0,0]=3 38 B14R2.114 N[C@H](C1=CC=CC=C1)C2CCCC2 Y14109 [0,1,0,1,0,0|1,0,0]=3 39 B14R2.24 CC1=C([C@@H]2CCCCN2)C=CC=C1 Y13692 [0,1,0,1,0,0|1,0,0]=3 40 B14R2.24 FC1=C([C@@H]2COCCN2)C=CC=C1 AT22504 [0,1,0,1,0,0|2,0,0]=4 41 B14R2.24 O=C1CCOC[C@@H]1C2=CC=CC=C2 52417 [0,1,0,1,0,0|0,0,2]=4 42 B14R2.31 O[C@@H]1CC[C@@H]1OCC2=CC=CC=C2 37885 [0,1,0,1,0,0|0,0,0]=2 43 B14R2.101 C1=CC=C(CCN2CCCC2)C=C1 D95994 [0,1,0,1,0,0|1,0,0]=3 44 B14R2.7150 N#CCN1CCCC2=C1C=CC=C2 D96075 [0,1,0,1,0,0|1,0,1]=4 45 B14R2.436 IC1CC(OCC2=CC=CC=C2)C1 AT17176 [0,1,0,1,0,0|2,0,0]=4 46 B14R2.9589 O=C(CC1=CC=CC=C1)C2CCC2 D75277 [0,1,0,1,0,0|1,0,1]=4 47 B14R2.780 O=C(O)C1CCC1C2=CC=CC=C2 P19515 [0,1,0,1,0,0|0,0,1]=3 48 B14R2.780 O=C(O)[C@@H]1CC[C@@H]1C2=CC=CC=C2 P20289 [0,1,0,1,0,0|0,0,1]=3 49 B14R2.780 O=C(O)[C@H]1CC[C@@H]1C2=CC=CC=C2 P20290 [0,1,0,1,0,0|0,0,1]=3 50 B14R2.685 NC1=CC=CC2=C1CCCCC2=O I10591 [0,1,0,1,0,0|0,0,2]=4 51 B14R2.685 O=C1CCCCC2=C(Cl)C=CC=C12 Y13798 [0,1,0,1,0,0|0,0,2]=4