0 B13R2.369 OC1=NC2=CC=CC=C2C=C1Br 4032198 [0,0,0,0,0,0|2,0,1]=3 1 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 4108320 [1,0,0,0,0,0|3,0,0]=4 2 B12R2.24 NC1=CC=C2C=CC=NC2=C1 4018528 [1,0,0,0,0,0|3,0,0]=4 3 B14R2.1128 CC1=NC2=C(C=CC=C2)N=C1C=O 4300142 [0,1,0,0,0,0|3,0,0]=4 4 B14R2.1128 NNC1=NC2=C(C=CC=C2)N=C1O 4012382 [0,1,0,0,0,0|3,0,0]=4 5 B14R2.1128 O=CC1=CC2=CC=CC=C2NC1=O 4003194 [0,1,0,0,0,0|1,0,1]=3 6 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl 4030706 [0,1,0,0,0,0|2,0,0]=3 7 B14R2.8188 CC1=C2C=CC=CC2=NC(O)=C1Br 4030122 [0,1,0,0,0,0|2,0,1]=4 8 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C21 4033761 [0,1,0,0,0,0|2,0,1]=4 9 B14R2.8188 CN1C(=O)C(Br)=CC2=C1C=CC=C2 4031359 [0,1,0,0,0,0|2,0,0]=3 10 B14R2.8239 OC1=C(O)N=C2C=C(Br)C=CC2=N1 5131629 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 3001886 [0,0,1,0,0,0|2,0,1]=4 12 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4027804 [0,0,1,0,0,0|1,0,1]=3 13 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 4011261 [0,0,0,0,1,0|2,0,1]=4 14 B13R1.133 CC1=CC=C(NC(=O)C(=O)O)C=C1 4031042 [0,1,1,0,0,0|1,0,1]=4 15 B13R1.133 O=C(O)C(=O)NC1=CC=C(F)C=C1 4027133 [0,1,1,0,0,0|1,0,1]=4 16 B13R1.148 O=C(O)C(=O)NC1=CC(Cl)=CC=C1 4030253 [0,1,1,0,0,0|1,0,1]=4 17 B13R1.148 O=C(O)C(=O)NC1=CC=CC(F)=C1 4026865 [0,1,1,0,0,0|1,0,1]=4 18 B13R1.152 CN(C(=O)C(=O)O)C1=CC=CC=C1 4028185 [0,1,1,0,0,0|1,0,1]=4 19 B13R1.202 CC1=CC=CC=C1NC(=O)C(=O)O 4027011 [0,1,1,0,0,0|1,0,1]=4 20 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1Cl 4030004 [0,1,1,0,0,0|1,0,1]=4 21 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1F 4027050 [0,1,1,0,0,0|1,0,1]=4 22 B13R1.2872 C\C(C=O)=C/C1=CC(Cl)=CC=C1O 4012334 [0,1,1,0,0,0|1,0,0]=3 23 B13R2.32 CC1=C(O)C=CC2=CC=CC=C21 4021629 [1,1,0,0,0,0|1,0,0]=3 24 B13R2.32 ClC1=C2C=CC=CC2=NC=C1Br 4031465 [1,1,0,0,0,0|2,0,0]=4 25 B13R2.57 N#CC1=CC=C2C=CC=CC2=N1 4045173 [1,1,0,0,0,0|2,0,0]=4 26 B13R2.57 NCC1=CC2=CC=CC=C2N=C1 4100510 [1,1,0,0,0,0|2,0,0]=4 27 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 4102058 [1,1,0,0,0,0|2,0,0]=4 28 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 4110360 [1,1,0,0,0,0|0,0,2]=4 29 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 4300501 [1,1,0,0,0,0|2,0,0]=4 30 B13R2.155 NC1=CC=C2C=CC(=O)NC2=C1 4038499 [1,1,0,0,0,0|1,0,0]=3 31 B13R2.155 NC1=NC2=C(C=CC(=O)N2)C=C1 4027370 [1,1,0,0,0,0|2,0,0]=4 32 B13R2.155 O=C1C=CC2=CC=C(Br)C=C2N1 4037918 [1,1,0,0,0,0|1,0,0]=3 33 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=C1 4037458 [1,1,0,0,0,0|2,0,0]=4 34 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 4049766 [1,1,0,0,0,0|2,0,0]=4 35 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 4043546 [1,1,0,0,0,0|2,0,0]=4 36 B13R2.328 O=C1C=C(Cl)C2=CC=CC=C2N1 4001693 [1,1,0,0,0,0|1,0,0]=3 37 B13R2.328 OC1=CC2=CC=CC=C2C(Br)=C1 4038940 [1,1,0,0,0,0|1,0,0]=3 38 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 4100117 [1,1,0,0,0,0|2,0,0]=4 39 B13R2.5179 O=C1C=CC2=C(Cl)C=CC=C2N1 4037741 [1,1,0,0,0,0|1,0,0]=3 40 B13R2.45 CC1=C(C=O)NC2=CC=CC=C21 4003347 [0,1,0,0,1,0|2,0,0]=4 41 B13R2.45 CC1=C(C=O)OC2=CC=CC=C21 4002706 [0,1,0,0,1,0|1,0,0]=3 42 B13R2.45 CC1=C(CN)OC2=CC=CC=C21 4041189 [0,1,0,0,1,0|2,0,0]=4 43 B13R2.45 N#CC1=C(N)C2=C(C=CC=C2)O1 4043331 [0,1,0,0,1,0|2,0,0]=4 44 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)S1 4004691 [0,1,0,0,1,0|1,1,0]=4 45 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2N1 4003000 [0,1,0,0,1,0|2,0,0]=4 46 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)S1 4012562 [0,1,0,0,1,0|2,0,0]=4 47 B13R2.3028 CN1C(=O)OC2=C1C=C(N)C=C2 4035426 [0,1,0,0,1,0|2,0,0]=4 48 B13R2.5190 CN1C(=O)OC2=CC(N)=CC=C21 4036152 [0,1,0,0,1,0|2,0,0]=4 49 B15R2.117 COC1=NC2=CC=CC=C2C=C1C=O 4013435 [0,2,0,0,0,0|2,0,0]=4 50 B15R2.984 O=C(O)C1=NC2=C(C=CC=C2)N=C1O 4400224 [0,2,0,0,0,0|2,0,0]=4 51 B15R2.984 OB(O)C1=CC2=CC=CC=C2N=C1Cl 4029039 [0,2,0,0,0,0|2,0,0]=4 52 B15R2.1754 CC1=CC=C2C=C(C=O)C(O)=NC2=C1 6951607 [0,2,0,0,0,0|2,0,0]=4 53 B15R2.1754 CC1=CC=C2C=C(CO)C(Cl)=NC2=C1 4029497 [0,2,0,0,0,0|2,0,0]=4 54 B15R2.1754 NCC1=CC2=CC=C(F)C=C2NC1=O 4011514 [0,2,0,0,0,0|2,0,0]=4 55 B15R2.1824 CC1=CC=C2N=C(O)C(C=O)=CC2=C1 6954225 [0,2,0,0,0,0|2,0,0]=4 56 B15R2.2039 CC1=C2N=C(O)C(C=O)=CC2=CC=C1 6962617 [0,2,0,0,0,0|2,0,0]=4 57 B15R2.21243 CN1C(=O)C(C#N)=CC2=CC=CC=C21 4043451 [0,2,0,0,0,0|2,0,0]=4 58 B15R2.21243 CN1C(=O)C(C=O)=CC2=CC=CC=C21 4035619 [0,2,0,0,0,0|1,0,1]=4 59 B15R2.21243 CN1C(=O)C(CCl)=CC2=CC=CC=C21 4036351 [0,2,0,0,0,0|2,0,0]=4 60 B15R2.21243 CN1C(=O)C(CO)=CC2=CC=CC=C21 4042749 [0,2,0,0,0,0|1,0,0]=3 61 B13R2.435 NC(=O)C1=CC2=CC=CC=C2S1 4045182 [0,0,1,1,0,0|1,1,0]=4 62 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 4088003 [0,0,1,1,0,0|2,0,0]=4 63 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 4089063 [0,0,1,1,0,0|2,0,0]=4 64 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 4401038 [0,0,1,1,0,0|2,0,0]=4 65 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 4400806 [0,0,1,1,0,0|1,1,0]=4 66 B13R2.435 O=C([O-])C1=NC2=CC=CC=C2O1 4400848 [0,0,1,1,0,0|1,0,1]=4 67 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 4034823 [0,0,1,0,1,0|1,0,1]=4 68 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 4087936 [0,0,1,0,1,0|1,0,1]=4 69 B11R2.1 O=C1NCC2=CC=CC=C12 4041876 [1,0,0,0,1,0|1,0,1]=4 70 B11R2.10 NC1=NC2=C(C=CC=C2)O1 4030771 [1,0,0,0,1,0|2,0,0]=4 71 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 4027608 [0,0,1,0,0,1|1,0,1]=4 72 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 4013598 [0,0,1,0,0,1|0,0,2]=4 73 B13R2.33 O=C1COC2=CC=CC=C2CN1 4027041 [1,0,0,0,0,1|1,0,1]=4