0 B10R1.13 CC(=O)C1=NN=C(O)C=C1 Y11094 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96455 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.13 CN(C)C1=CN=C(Cl)C=N1 78767 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 Y14749 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96437 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 Y12111 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.13 NC(=O)C1=CN=C(Cl)N=C1 D72721 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.13 NC(=O)C1=NC=C(O)N=C1 11939 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.1 C=CC1=CN=C(Br)C=C1 68606 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.1 C=CC1=CNC(=O)C=C1 W19299 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.1 CC1=NN=C(C=O)C=C1 97332 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.6 C[C@H](N)C1=CC=CN=N1 P20592 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25776 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 C76094 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.3 CCC1=CN=C(C(=O)O)C=N1 D79974 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.3 CNC1=NC=C(B(O)O)C=C1 H11504 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90832 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.3 NCC1=NC=C(B(O)O)C=C1 AC4036 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 F20825 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.22 CN[C@@H](C)C1=CC=C(C)C=C1 Y13931 [0,1,0,0,0,0|1,0,2]=4 20 B11R1.22 N[C@@H](CO)C1=CN=C(Br)C=C1 D85262 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.166 CN(C)C1=CN=C(Cl)C=C1Cl D97275 [0,1,0,0,0,0|2,0,1]=4 22 B9R1.35 CC1=CC=C([C@H](C)N)O1 AT20911 [0,0,0,0,1,0|2,0,1]=4 23 B9R1.35 CC1=COC(C(=O)[O-])=N1 AT25441 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.35 CC1=NC(C(N)=S)=CO1 D79721 [0,0,0,0,1,0|3,0,0]=4 25 B11R1.20 O=C(O)CC1=CN=C(Br)C=C1 AB22208 [0,0,0,0,0,1|3,0,0]=4 26 B10R1.3 COC1=NN=C(C=O)C=C1 P20548 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.25 CC1=NC(N)=C(C=O)C=C1 78725 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.25 COC1=CN=C(Cl)C=C1Cl AC3276 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.25 O=CC1=C(Br)C=C(Cl)N=C1 CL0318 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.25 O=CC1=C(Cl)C=C(F)N=C1 CL0320 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.25 O=CC1=CN=C(Cl)C=C1F AC8394 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.176 COC1=CC(Br)=C(N)N=C1 P19026 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.61 CN(C)C1=CC=CN=C1N W19197 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 D96410 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y11455 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 D79763 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.5 CCC(=O)C1=CN=C(OC)C=C1 W11395 [0,2,0,0,0,0|1,0,0]=3 38 B12R1.5 CC[C@H](N)C1=CN=C(OC)C=C1 D96415 [0,2,0,0,0,0|1,0,1]=4 39 B12R1.113 CCCC1=NC=C(C(=O)O)C=C1 AC9553 [0,2,0,0,0,0|2,0,0]=4 40 B12R1.256 CC(=O)C1=CC=C([C@H](C)N)C=C1 20151 [0,2,0,0,0,0|2,0,0]=4 41 B12R1.232 CC1=C(Br)C=C(C(=O)O)C(Cl)=N1 C72020 [0,2,0,0,0,0|2,0,0]=4 42 B12R1.367 COC(=O)C1=CN=C(C)C(Cl)=N1 W15307 [0,2,0,0,0,0|2,0,0]=4 43 B12R1.1703 COC(=O)C1=C(Br)C=C(C)N=C1 AT25160 [0,2,0,0,0,0|1,0,0]=3 44 B12R1.1703 COC(=O)C1=C(N)N=C(C)C=C1 D82960 [0,2,0,0,0,0|1,0,0]=3 45 B12R1.1703 COC(=O)C1=CN=C(F)C=C1N D96958 [0,2,0,0,0,0|2,0,0]=4 46 B12R1.1703 COC(=O)C1=NC=C(C)N=C1Cl C76776 [0,2,0,0,0,0|2,0,0]=4 47 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(C)=N1 C74708 [0,2,0,0,0,0|2,0,0]=4 48 B12R2.606 CC1=CC2=C(C=NC(Cl)=N2)S1 P20389 [0,0,0,1,0,1|2,0,0]=4 49 B12R2.606 CC1=CC2=C(N=C(Cl)C=C2)N1 P20328 [0,0,0,1,0,1|2,0,0]=4 50 B12R2.606 CC1=CC2=C(N=CC(Br)=N2)N1 P13731 [0,0,0,1,0,1|2,0,0]=4 51 B12R2.606 CC1=CC2=CN=C(Cl)C=C2N1 P18094 [0,0,0,1,0,1|2,0,0]=4 52 B12R2.606 CC1=NC2=CC(Cl)=NC=C2N1 79161 [0,0,0,1,0,1|2,0,0]=4 53 B12R2.606 CN1C=C2C=C(Cl)N=CC2=N1 Y10962 [0,0,0,1,0,1|2,0,0]=4 54 B12R2.606 ClC1=CC2=C(C=CC(Cl)=N2)N1 P10657 [0,0,0,1,0,1|2,0,0]=4 55 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 Y14103 [0,1,0,1,0,0|2,0,0]=4 56 B12R2.612 CC1=CNC2=C1C=CC(O)=C2 P11527 [0,1,0,1,0,0|2,0,0]=4 57 B12R2.612 CN1C=CC2=CC(Br)=NC=C21 96212 [0,1,0,1,0,0|2,0,0]=4 58 B12R2.612 CN1N=CC2=CC(Cl)=NC=C21 Y10961 [0,1,0,1,0,0|2,0,0]=4 59 B12R2.612 O=C1CCC2=C1C=CC(O)=N2 79948 [0,1,0,1,0,0|2,0,0]=4