0 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [0,0,0,0,0,0|2,0,0]=2 1 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11132 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10468 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.1 N[C@H]1COC2=NC=CC=C21 C16545 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.132 CC1=CNC2=C1N=C(Br)C=N2 P13978 [0,1,0,0,0,0|1,0,2]=4 6 B12R2.132 CC1=NNC2=C1N=C(Br)C=N2 82192 [0,1,0,0,0,0|2,0,1]=4 7 B12R2.132 O=C1CCC2=NC=C(Br)C=C12 W18637 [0,1,0,0,0,0|2,0,1]=4 8 B12R2.132 O=C1CCC2=NC=C(F)C=C12 P19250 [0,1,0,0,0,0|2,0,1]=4 9 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 N13212 [0,1,0,0,0,0|3,0,0]=4 10 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y13708 [0,1,0,0,0,0|3,0,0]=4 11 B12R2.196 O[C@H]1CCC2=C(Br)C=CC=C21 W15007 [0,1,0,0,0,0|3,0,0]=4 12 B12R2.203 O[C@H]1CCC2=CC=CC(F)=C21 Y14547 [0,1,0,0,0,0|3,0,0]=4 13 B12R2.612 CC1=NNC2=C1N=CC(Cl)=N2 D79098 [0,1,0,0,0,0|2,0,1]=4 14 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67302 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y10271 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.612 O=C1CCC2=C1C=CC(O)=N2 79948 [0,1,0,0,0,0|2,0,1]=4 17 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CC2 Y14104 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.2403 CC1(C)CNC2=NC=CC=C21 85483 [0,1,0,0,0,0|2,0,0]=3 19 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 37675 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.20 NCC1=C(CO)C=CC=N1 C71511 [0,0,1,0,0,0|3,0,0]=4 21 B10R1.61 CN(C)C1=CC=CN=C1N W19197 [0,0,1,0,0,0|3,0,0]=4 22 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74085 [0,0,1,0,0,0|3,0,0]=4 23 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74087 [0,0,1,0,0,0|3,0,0]=4 24 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D79125 [0,0,0,0,0,1|3,0,0]=4 25 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D96708 [0,0,0,0,0,1|3,0,0]=4 26 B12R2.24 C[C@H]1CNC2=C(C=CC=N2)O1 D96433 [0,0,0,0,0,1|2,0,0]=3 27 B12R2.24 O=C1CCC2=C(C=CC=N2)N1 66147 [0,0,0,0,0,1|2,0,1]=4 28 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W19334 [0,0,0,0,0,1|2,0,0]=3 29 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 20130 [0,0,0,0,0,1|3,0,0]=4 30 B12R2.1081 O=C1CCNC2=C1C=CC=N2 W12418 [0,0,0,0,0,1|2,0,1]=4 31 B12R2.1081 O=C1COCC2=C1C=CC=N2 A10613 [0,0,0,0,0,1|2,0,1]=4 32 B12R2.1081 O[C@H]1CCOC2=NC=CC=C21 AT21149 [0,0,0,0,0,1|2,0,0]=3 33 B9R1.8 CSCC1=NC=CC=C1 W19655 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.24 CCNCC1=CC(Br)=CN=C1 78915 [0,1,1,0,0,0|2,0,0]=4 35 B11R1.28 CCOCCC1=NC=CC=C1 D72160 [0,1,1,0,0,0|1,0,0]=3 36 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13611 [0,1,1,0,0,0|2,0,0]=4 37 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13862 [0,1,1,0,0,0|2,0,0]=4 38 B11R1.87 CC(C)(C)C1=NC=CC=C1N W16124 [0,1,1,0,0,0|2,0,0]=4 39 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 93643 [1,1,0,0,0,0|2,0,0]=4 40 B11R2.36 BrC1=CN=C2CCNC2=C1 P19003 [1,1,0,0,0,0|2,0,0]=4 41 B11R2.36 ClC1=CN=C2CNCC2=C1 E70352 [1,1,0,0,0,0|2,0,0]=4 42 B11R2.36 ClC1=NC2=C(C=C1)COC2 83487 [1,1,0,0,0,0|2,0,0]=4 43 B11R2.36 NC1=CC=C2CCOC2=N1 AT22072 [1,1,0,0,0,0|2,0,0]=4 44 B11R2.106 BrC1=C2CCNC2=NC=C1 P12726 [1,1,0,0,0,0|2,0,0]=4 45 B11R2.191 OC[C@H]1CCC2=NC=CN21 72690 [0,1,0,0,1,0|1,0,0]=3 46 B13R2.328 CC1CC(C)C2=C(C=CC=C2)N1 C73677 [0,1,0,0,0,1|2,0,0]=4 47 B13R2.1613 CN[C@H]1CCCC2=C1C=CC=C2 N14195 [0,1,0,0,0,1|2,0,0]=4 48 B13R2.1613 CN[C@H]1CCCC2=C1C=CC=C2 N14196 [0,1,0,0,0,1|2,0,0]=4 49 B13R2.3122 CC1(C)CCNC2=CC=CN=C21 95781 [0,1,0,0,0,1|1,0,0]=3 50 B13R2.3791 FC1(F)CCC2=C1N=C(Cl)C=C2 D84855 [0,2,0,0,0,0|2,0,0]=4 51 B11R2.20 C1=CC2=C(C=N1)CCNC2 C75219 [0,0,1,1,0,0|2,0,0]=4 52 B11R2.55 NC1=NC=CN=C1C2CC2 60029 [0,0,1,1,0,0|1,0,0]=3 53 B9R1.11 CC[C@H](N)C1=CSC=N1 Y11505 [0,0,1,0,1,0|2,0,0]=4