0 B11R1.28 CCOCCC1=NC=CC=C1 D72160 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.28 OCCCOC1=CC=NC=C1 W19282 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.17 NNCCC1=CC=CC=C1 74134 [1,0,0,0,0,0|3,0,0]=4 3 B12R1.28 COCCNC1=NC=CC(Cl)=N1 W19218 [0,1,0,0,0,0|3,0,0]=4 4 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 Y13950 [0,1,0,0,0,0|2,0,0]=3 5 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 Y13951 [0,1,0,0,0,0|2,0,0]=3 6 B12R1.32 CCOC(=O)CC1=NN=CC=C1 P11834 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.32 CCOC(=O)NC1=NC=CC=C1 D96330 [0,1,0,0,0,0|2,0,1]=4 8 B12R1.252 CC(C)OCCC1=NC=CC=C1 D72165 [0,1,0,0,0,0|1,0,0]=2 9 B12R2.1 CCN1C=NC2=NC=CC=C21 C74418 [0,0,0,1,0,0|2,0,1]=4 10 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 38197 [0,0,0,1,0,0|2,0,0]=3 11 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 CS3567 [0,0,0,1,0,0|1,0,0]=2 12 B12R2.27 N#CC1CC1C2=CC=CC=C2 78699 [0,0,0,1,0,0|2,0,1]=4 13 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W19334 [0,0,0,1,0,0|2,0,0]=3 14 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 20130 [0,0,0,1,0,0|2,0,0]=3 15 B12R2.1081 O=C1CCNC2=C1C=CC=N2 W12418 [0,0,0,1,0,0|2,0,1]=4 16 B12R2.1081 O=C1COCC2=C1C=CC=N2 A10613 [0,0,0,1,0,0|2,0,1]=4 17 B12R2.1081 O[C@H]1CCOC2=NC=CC=C21 AT21149 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.8 CCNC1=CC=CN=N1 79166 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.8 CSCC1=NC=CC=C1 W19655 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 78723 [2,0,0,0,0,0|1,0,1]=4 21 B11R1.24 FCCOC1=NC=CC(Br)=C1 D96604 [1,1,0,0,0,0|2,0,0]=4 22 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13611 [1,1,0,0,0,0|1,0,0]=3 23 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13862 [1,1,0,0,0,0|1,0,0]=3 24 B13R1.9 CCOCCOC1=NC=C(Br)C=C1 78830 [0,2,0,0,0,0|1,0,0]=3 25 B13R1.669 CCCCOC1=NC=C(F)C(Cl)=N1 86719 [0,2,0,0,0,0|2,0,0]=4 26 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 C78126 [0,2,0,0,0,0|2,0,0]=4 27 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [1,0,0,1,0,0|1,0,0]=3 28 B11R2.1 N[C@H]1COC2=NC=CC=C21 C16545 [1,0,0,1,0,0|2,0,0]=4 29 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [1,0,0,1,0,0|2,0,0]=4 30 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P19281 [1,0,0,1,0,0|2,0,0]=4 31 B11R2.238 C1=CN=NC(NC2CC2)=C1 79168 [1,0,0,1,0,0|2,0,0]=4 32 B11R2.239 C1=CC=C(C2CNC2)C=C1 P11102 [1,0,0,1,0,0|2,0,0]=4 33 B11R2.2 C1=CC([C@@H]2CCCN2)=CO1 Y11621 [0,0,0,1,1,0|2,0,0]=4 34 B11R2.18 C1=CN2CCNCCC2=N1 D95483 [0,0,0,1,1,0|2,0,0]=4 35 B11R2.191 OC[C@H]1CCC2=NC=CN21 72690 [0,0,0,1,1,0|2,0,0]=4 36 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 Y11037 [0,1,0,1,0,0|2,0,0]=4 37 B13R2.12 BrC1=CC=C([C@H]2CCOC2)C=C1 88317 [0,1,0,1,0,0|2,0,0]=4 38 B13R2.12 CC1=CC=C([C@@H]2CCCN2)C=C1 D85218 [0,1,0,1,0,0|2,0,0]=4 39 B13R2.12 ClC1=CC=C([C@H]2CCNC2)C=C1 65755 [0,1,0,1,0,0|2,0,0]=4 40 B13R2.12 FC1=CN=C([C@@H]2CCCN2)C=C1 Y11251 [0,1,0,1,0,0|1,0,0]=3 41 B13R2.12 FC1=CN=C([C@@H]2CCCN2)C=C1 Y11457 [0,1,0,1,0,0|1,0,0]=3 42 B13R2.12 OC1=CC=C([C@H]2CCNC2)C=C1 Y14105 [0,1,0,1,0,0|2,0,0]=4 43 B13R2.42 OC[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 58117 [0,1,0,1,0,0|2,0,0]=4 44 B13R2.42 OC[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 D97098 [0,1,0,1,0,0|2,0,0]=4 45 B13R2.162 CN1CCNC2=NC=C(Br)C=C21 P19266 [0,1,0,1,0,0|2,0,0]=4 46 B13R2.162 C[C@H]1CNCC2=C1C=C(Br)C=C2 P17979 [0,1,0,1,0,0|2,0,0]=4 47 B13R2.162 C[C@H]1CNCC2=C1C=C(Br)C=C2 P20023 [0,1,0,1,0,0|2,0,0]=4 48 B13R2.162 N[C@H]1CCCC2=C1C=C(Cl)C=C2 I10623 [0,1,0,1,0,0|2,0,0]=4 49 B13R2.162 N[C@H]1CCCC2=C1C=C(Cl)C=C2 I11950 [0,1,0,1,0,0|2,0,0]=4 50 B13R2.162 N[C@H]1CCCC2=C1C=C(O)C=C2 Y13854 [0,1,0,1,0,0|2,0,0]=4 51 B13R2.162 N[C@H]1CCCC2=C1C=C(O)C=C2 Y14596 [0,1,0,1,0,0|2,0,0]=4 52 B13R2.162 O=C1CCCC2=NC=C(Br)C=C12 F52282 [0,1,0,1,0,0|1,0,1]=4 53 B13R2.3729 BrC1=CC2=C(C=C1)CNCCC2 51224 [0,1,0,1,0,0|2,0,0]=4 54 B13R2.3729 ClC1=NC2=C(C=C1)CCCCN2 W19240 [0,1,0,1,0,0|1,0,0]=3 55 B13R2.3729 FC1=CC2=C(C=C1)CNCCC2 D84084 [0,1,0,1,0,0|2,0,0]=4 56 B13R2.3729 OC1=CC2=C(C=C1)CNCCC2 51207 [0,1,0,1,0,0|2,0,0]=4 57 B13R2.3 C1=CN=C([C@@H]2CCCCN2)C=C1 Y14841 [0,1,0,1,0,0|0,0,0]=2 58 B13R2.3 C1=CN=C([C@H]2CCCNC2)C=C1 D96846 [0,1,0,1,0,0|0,0,0]=2 59 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 N10845 [0,1,0,1,0,0|2,0,0]=4 60 B13R2.15 OC1COCC1C2=CC=CC=C2 90595 [0,1,0,1,0,0|2,0,0]=4 61 B13R2.1613 CN[C@H]1CCCC2=C1C=CC=C2 N14195 [0,1,0,1,0,0|1,0,0]=3 62 B13R2.1613 CN[C@H]1CCCC2=C1C=CC=C2 N14196 [0,1,0,1,0,0|1,0,0]=3 63 B13R2.5252 N[C@H]1CCCOC2=C1C=CC=C2 I10902 [0,1,0,1,0,0|2,0,0]=4 64 B13R2.32 NC1C2=C(C=CC=C2)CCC1O D84305 [0,1,0,1,0,0|2,0,0]=4 65 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 Y11557 [0,1,0,1,0,0|2,0,0]=4 66 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 Y11574 [0,1,0,1,0,0|2,0,0]=4 67 B13R2.13 NC1=CC=CC([C@@H]2CCCN2)=C1 Y11196 [0,1,0,1,0,0|2,0,0]=4 68 B13R2.136 NC[C@H]1C[C@@H]1C2=CC=CC(F)=C2 D96892 [0,1,0,1,0,0|2,0,0]=4 69 B13R2.136 NC[C@H]1C[C@@H]1C2=CC=CC(F)=C2 D97020 [0,1,0,1,0,0|2,0,0]=4 70 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 N11394 [0,1,0,1,0,0|2,0,0]=4 71 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 Y11140 [0,1,0,1,0,0|2,0,0]=4 72 B13R2.5179 C[C@H]1CNCC2=C1C=CC(Br)=C2 P17539 [0,1,0,1,0,0|2,0,0]=4 73 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 Y11524 [0,1,0,1,0,0|2,0,0]=4 74 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 Y11547 [0,1,0,1,0,0|2,0,0]=4 75 B13R2.5179 N[C@H]1CCCC2=C1C=CC(O)=C2 Y13738 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.5179 N[C@H]1CCCC2=C1C=CC(O)=C2 Y13739 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.5331 NC1=CC(OCC2CC2)=NC=C1 79580 [0,1,0,1,0,0|1,0,0]=3 78 B13R2.223 O[C@@]1(C2=CC=CC=C2)CCNC1 W11764 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 Y11451 [0,1,0,1,0,0|1,0,0]=3 80 B13R2.163 N[C@H]1CCOC2=C(C=CC=C2)C1 F50699 [0,1,0,1,0,0|2,0,0]=4 81 B13R2.221 NC1(CC2=CC=CC=C2)COC1 38013 [0,1,0,1,0,0|2,0,0]=4 82 B13R2.328 CC1CC(C)C2=C(C=CC=C2)N1 C73677 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.444 O=C(CC1=CC=CC=C1)C2CC2 Y14016 [0,1,0,1,0,0|1,0,1]=4 84 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 Y13690 [0,1,0,1,0,0|2,0,0]=4 85 B13R2.18 CC1=CC=CN=C1[C@@H]2CCCN2 Y11426 [0,1,0,1,0,0|1,0,0]=3 86 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N Y11818 [0,1,0,1,0,0|2,0,0]=4 87 B13R2.342 N[C@H]1CCCC2=C(O)C=CC=C21 D85264 [0,1,0,1,0,0|2,0,0]=4 88 B13R2.342 N[C@H]1CCCC2=C(O)C=CC=C21 Y13673 [0,1,0,1,0,0|2,0,0]=4 89 B13R2.342 N[C@H]1CCCC2=C(O)C=CC=C21 Y13675 [0,1,0,1,0,0|2,0,0]=4