0 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)N2 AT24454 [0,0,0,0,0,0|1,0,3]=4 1 B15R3.3 C1=CC2=C(C=C1)C3=C(C=NC=C3)N2 87277 [0,0,0,0,0,0|2,0,2]=4 2 B15R3.3 C1=CC2=C(C=C1)C3=C(CCCC3)N2 58520 [0,0,0,0,0,0|1,0,0]=1 3 B15R3.3 C1=CC2=C(C=C1)C3=C(CNCC3)N2 34028 [0,0,0,0,0,0|2,0,0]=2 4 B15R3.3 C1=CC2=C(C=C1)C3=C(CNCC3)O2 O10334 [0,0,0,0,0,0|3,0,0]=3 5 B15R3.3 C1=CN=C2NC3=C(C=CC=C3)C2=C1 O11680 [0,0,0,0,0,0|2,0,2]=4 6 B16R3.2583 CC1=CC2=C(C=C1)NC3=C2CNCC3 D97590 [0,1,0,0,0,0|0,0,0]=1 7 B16R3.2583 ClC1=CC2=C(C=C1)NC3=C2CCCC3 C74890 [0,1,0,0,0,0|1,0,0]=2 8 B16R3.3329 O[C@H]1CCCC2=C1NC3=C2C=CC=C3 D83798 [0,1,0,0,0,0|1,0,0]=2 9 B16R3.27838 O=C1CCCC2=C1C3=C(C=CC=C3)N2 28053 [0,1,0,0,0,0|1,0,1]=3 10 B14R2.3 CCCCN1C=NC2=C1C=CC=C2 E10136 [0,0,1,0,0,0|2,0,1]=4 11 B14R2.3 NCCCC1=CNC2=C1C=CC=C2 25563 [0,0,1,0,0,0|2,0,0]=3 12 B14R2.6 C1=CC=C(CC2CCNCC2)C=C1 56720 [0,0,1,0,0,0|1,0,2]=4 13 B14R2.6 C1=CC=C(NC2CCCCC2)C=C1 H12007 [0,0,1,0,0,0|1,0,2]=4 14 B14R2.6 C1=CC=C(OC2CCNCC2)C=C1 AC5887 [0,0,1,0,0,0|1,0,2]=4 15 B14R2.6 C1=CC=C(OC2CCNCC2)C=C1 AR1751 [0,0,1,0,0,0|1,0,2]=4 16 B14R2.24 O=C1CCCC[C@@H]1C2=CC=CC=C2 C11341 [0,0,1,0,0,0|2,0,1]=4 17 B14R2.67 OCCCC1=NC2=C(C=CC=C2)N1 W12742 [0,0,1,0,0,0|3,0,0]=4 18 B14R2.517 CC1=C(CCN)C2=C(C=CC=C2)N1 FD7377 [0,0,1,0,0,0|2,0,0]=3 19 B14R3.49 C1=CC2=C(C=C1)C3=C(CCC3)N2 36113 [0,0,0,0,1,0|0,0,0]=1 20 B13R2.1 BrCCC1=CNC2=C1C=CC=C2 30295 [1,0,1,0,0,0|1,0,0]=3 21 B13R2.1 N#CCC1=CNC2=C1C=CC=C2 73700 [1,0,1,0,0,0|1,0,1]=4 22 B13R2.1 NCCC1=CNC2=C1C=CC=C2 62750 [1,0,1,0,0,0|1,0,0]=3 23 B13R2.1 NCCC1=CNC2=C1C=CC=C2 D88241 [1,0,1,0,0,0|1,0,0]=3 24 B13R2.1 NCCC1=COC2=C1C=CC=C2 36050 [1,0,1,0,0,0|2,0,0]=4 25 B13R2.1 OCCC1=CNC2=C1C=CC=C2 53109 [1,0,1,0,0,0|1,0,0]=3 26 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 F13284 [1,0,1,0,0,0|1,0,0]=3 27 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 49522 [1,0,1,0,0,0|2,0,0]=4 28 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 82911 [1,0,1,0,0,0|2,0,0]=4 29 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 38038 [1,0,1,0,0,0|2,0,0]=4 30 B13R2.3 C1=CC=C([C@@H]2CNCCN2)C=C1 27217 [1,0,1,0,0,0|1,0,1]=4 31 B13R2.3 C1=CC=C([C@@H]2CNCCN2)C=C1 AR2669 [1,0,1,0,0,0|1,0,1]=4 32 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 AR1100 [1,0,1,0,0,0|1,0,1]=4 33 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 F13476 [1,0,1,0,0,0|1,0,1]=4 34 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 50833 [1,0,1,0,0,0|0,0,2]=4 35 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 S12011 [1,0,1,0,0,0|0,0,2]=4 36 B13R2.26 CCCC1=NC2=C(C=CC=C2)N1 34833 [1,0,1,0,0,0|1,0,0]=3 37 B13R2.26 CCOC1=NC2=C(C=CC=C2)N1 F30799 [1,0,1,0,0,0|2,0,0]=4 38 B13R2.26 CNCC1=NC2=C(C=CC=C2)N1 71598 [1,0,1,0,0,0|1,0,0]=3 39 B13R2.26 CNCC1=NC2=C(C=CC=C2)O1 O10314 [1,0,1,0,0,0|1,0,1]=4 40 B13R2.26 NCCC1=NC2=C(C=CC=C2)N1 20903 [1,0,1,0,0,0|1,0,0]=3 41 B13R2.26 NCCC1=NC2=C(C=CC=C2)N1 I10019 [1,0,1,0,0,0|1,0,0]=3 42 B13R2.26 OCCC1=CC2=C(C=CC=C2)S1 C90449 [1,0,1,0,0,0|2,0,0]=4 43 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 D95121 [1,0,1,0,0,0|1,0,1]=4 44 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 W10143 [1,0,1,0,0,0|1,0,1]=4 45 B13R2.135 CC1=C(C#N)C2=C(C=CC=C2)N1 C75393 [1,0,1,0,0,0|0,0,2]=4 46 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 71014 [1,0,1,0,0,0|1,0,1]=4 47 B13R2.135 CCN1C(=O)NC2=C1C=CC=C2 F16478 [1,0,1,0,0,0|2,0,0]=4 48 B13R2.135 CCN1C(C)=CC2=C1C=CC=C2 D84345 [1,0,1,0,0,0|2,0,0]=4 49 B13R2.135 CCN1C(C)=[SH]C2=C1C=CC=C2 D90527 [1,0,1,0,0,0|2,0,0]=4 50 B15R2.4 COC(=O)CC1=CNC2=C1C=CC=C2 29367 [0,1,1,0,0,0|2,0,0]=4 51 B15R2.4 N[C@H](CO)CC1=CNC2=C1C=CC=C2 A51033 [0,1,1,0,0,0|2,0,0]=4 52 B15R2.4 N[C@H](CO)CC1=CNC2=C1C=CC=C2 A51089 [0,1,1,0,0,0|2,0,0]=4 53 B15R2.73 CCOC(=O)C1=CNC2=C1C=CC=C2 33848 [0,1,1,0,0,0|1,0,1]=4 54 B15R2.17719 NCCCC1=CNC2=C1C=C(Cl)C=C2 D94282 [0,1,1,0,0,0|2,0,0]=4 55 B15R2.38 O=C1CNCCN1CC2=CC=CC=C2 29627 [0,1,1,0,0,0|2,0,0]=4 56 B15R2.2203 CCCCCC1=NC2=C(C=CC=C2)N1 C10577 [0,1,1,0,0,0|2,0,0]=4 57 B15R2.993 CC1=C(CC(=O)O)C2=C(C=CC=C2)N1 49364 [0,1,1,0,0,0|2,0,0]=4 58 B15R2.993 CC1=C(CN(C)C)C2=C(C=CC=C2)N1 49369 [0,1,1,0,0,0|0,0,0]=2 59 B15R2.993 CN(C)\C=C1/C(=O)NC2=C1C=CC=C2 AC7913 [0,1,1,0,0,0|1,0,1]=4 60 B15R3.10591 FC1=CC2=C(C=C1)NC3=C2CCC3 35686 [0,1,0,0,1,0|0,0,0]=2 61 B17R3.35227 ClC1=C2CCCCC2=NC3=CC=CC=C31 52776 [0,1,0,0,0,1|1,0,1]=4 62 B17R3.35227 NC1=C2CCCCC2=NC3=CC=CC=C31 52105 [0,1,0,0,0,1|1,0,1]=4 63 B17R3.35227 NC1=C2CCCCC2=NC3=CC=CC=C31 75126 [0,1,0,0,0,1|1,0,1]=4 64 B17R3.35227 NC1=C2CCCCC2=NC3=CC=CC=C31 F20766 [0,1,0,0,0,1|1,0,1]=4 65 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CCNC3 83185 [0,2,0,0,0,0|2,0,0]=4 66 B17R3.284867 CC1=CC2=C(C=C1)NC3=C2CCCC3=O W17180 [0,2,0,0,0,0|1,0,1]=4 67 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(Br)C=C3 P16610 [0,2,0,0,0,0|1,0,1]=4 68 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(Cl)C=C3 D82811 [0,2,0,0,0,0|1,0,1]=4 69 B17R3.51120 O=C1CCCC2=C1NC3=C(Br)C=CC=C23 W17177 [0,2,0,0,0,0|1,0,1]=4 70 B17R3.4408 CN1C2=C(C=CC=C2)C3=C1CCCC3=O 23355 [0,2,0,0,0,0|1,0,1]=4 71 B17R3.4408 CN1C2=C(C=CC=C2)C3=C1CCNC3=O C12126 [0,2,0,0,0,0|0,0,1]=3 72 B13R2.64 C1=CC=C(C[C@H]2CCNC2)C=C1 AR1412 [0,0,1,0,1,0|1,0,1]=4 73 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 A10133 [0,0,1,0,1,0|1,0,1]=4 74 B13R2.15 O=C1CCCN1C2=CC=CC=C2 AC1348 [0,0,1,0,1,0|2,0,0]=4 75 B13R2.18 ClC1=C(C2=NCCC2)C=CC=C1 AB2775 [0,0,1,0,1,0|2,0,0]=4 76 B13R2.18 ClC1=C([C@H]2CCNC2)C=CC=C1 65782 [0,0,1,0,1,0|1,0,1]=4 77 B13R2.18 ClC1=C([C@H]2CCNC2)C=CC=C1 AR1409 [0,0,1,0,1,0|1,0,1]=4 78 B17R3.9117 C1=CC2=C(C=C1)C3=C(CCCCCC3)N2 D95940 [0,0,0,0,0,2|1,0,0]=3