0 B13R2.10 BrC1=CSC(C2=CC=CC=C2)=N1 MC442709 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 MC121297 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.10 CC1=NN(C2=CC=CC=C2)C=C1 MC106504 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.10 ClC1=CC(C2=CC=CC=C2)=NO1 MC105793 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 MC21050 [0,0,0,0,0,0|0,0,2]=2 5 B13R2.10 NC1=NC=C(C2=CC=CC=C2)S1 CS10579 [0,0,0,0,0,0|2,0,2]=4 6 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS13543 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.10 O=C1CCC(C2=CC=NC=C2)C1 MC106176 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.10 O=C1CCC(C2=NC=CC=C2)C1 MC106175 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11041 [0,0,0,0,0,0|1,0,1]=2 10 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11043 [0,0,0,0,0,0|1,0,1]=2 11 B13R2.10 OC1=CSC(C2=CC=CC=C2)=N1 MC100015 [0,0,0,0,0,0|3,0,1]=4 12 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 CS14482 [0,0,0,0,0,0|2,0,1]=3 13 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 MC442291 [1,0,0,0,0,0|2,0,1]=4 14 B12R2.2 C1=CC=C(C2=NC=CO2)C=C1 CS12838 [1,0,0,0,0,0|2,0,1]=4 15 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS11140 [1,0,0,0,0,0|1,0,2]=4 16 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS17953 [1,0,0,0,0,0|1,0,2]=4 17 B12R2.2 C1=CC=C(C2CCCN2)C=C1 MC105777 [1,0,0,0,0,0|1,0,2]=4 18 B12R2.2 C1=CC=C(C2CCNC2)C=C1 MC106676 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.2 C1=CC=C(N2C=CC=N2)C=C1 CS20795 [1,0,0,0,0,0|2,0,1]=4 20 B14R2.8 NCC1=NC(C2=CC=CC=C2)=CN1 MC107865 [0,1,0,0,0,0|1,0,2]=4 21 B14R2.20 O=C1CC(C2=CC=C(F)C=C2)CN1 MC431580 [0,1,0,0,0,0|3,0,0]=4 22 B14R2.22 Nc1cccc(C2CNC(=O)C2)c1 MC100202 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.22 O=C1CC(C2=CC(Br)=CC=C2)CN1 MC100201 [0,1,0,0,0,0|3,0,0]=4 24 B14R2.256 NC1=CC(C2=C(O)C=CC=C2)=NO1 CS20885 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.256 NC1=NC(C2=C(Cl)C=CC=C2)=NO1 MC110594 [0,1,0,0,0,0|1,0,1]=3 26 B14R2.256 NC1=NSC(C2=C(Cl)C=CC=C2)=N1 MC121382 [0,1,0,0,0,0|2,0,1]=4 27 B14R2.598 O=C1CC(C2=CC=CC=C2)C(=O)O1 MC440514 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [0,0,1,0,0,0|2,0,0]=3 29 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [0,0,1,0,0,0|2,0,0]=3 33 B12R1.252 NC(=S)COCC1=CC=CC=C1 MC430689 [0,0,1,0,0,0|3,0,0]=4 34 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103854 [0,0,0,0,1,0|1,0,1]=3 35 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103855 [0,0,0,0,1,0|1,0,1]=3 36 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC105059 [0,0,0,0,1,0|1,0,1]=3 37 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [0,0,0,0,1,0|2,0,0]=3 38 B12R2.23 O=C1CCC1C2=CC=CC=C2 MC104226 [0,0,0,0,1,0|2,0,0]=3 39 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10013 [0,0,0,0,0,1|1,0,1]=3 40 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10014 [0,0,0,0,0,1|1,0,1]=3 41 B14R2.19 S=C1NC(CC2=CC=CC=C2)CO1 MC114954 [0,0,0,0,0,1|1,0,1]=3 42 B14R2.21 NC1=NC(C2=CC=CC=C2)=CC=C1 CS18288 [0,0,0,0,0,1|1,0,2]=4 43 B14R2.21 NC1=NC(C2=CC=CC=C2)=CN=C1 MC443513 [0,0,0,0,0,1|1,0,2]=4 44 B14R2.21 NC1CCOC(C2=CC=CC=C2)C1 MC105776 [0,0,0,0,0,1|2,0,1]=4 45 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 CS15109 [0,0,0,0,0,1|3,0,0]=4 46 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 MC116196 [0,0,0,0,0,1|2,0,1]=4 47 B14R2.21 O=C1CCNC(C2=CC=CC=C2)C1 MC106734 [0,0,0,0,0,1|3,0,0]=4 48 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 CS21738 [0,0,0,0,0,1|3,0,0]=4 49 B14R2.68 NC1=NC=C(C2=CC=CC=C2)C=C1 CS18244 [0,0,0,0,0,1|1,0,2]=4 50 B14R2.68 O=C1CNC(C2=CC=CC=C2)CO1 MC428330 [0,0,0,0,0,1|1,0,1]=3 51 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 CS13118 [0,0,0,0,0,1|3,0,0]=4 52 B11R1.12 CNC(CO)C1=CC=CC=C1 CS17955 [1,0,1,0,0,0|0,0,2]=4 53 B11R1.12 NCC(CO)C1=CC=CC=C1 MC105854 [1,0,1,0,0,0|0,0,1]=3 54 B11R1.12 NCC(CO)C1=CC=CC=C1 MC105855 [1,0,1,0,0,0|0,0,1]=3 55 B11R1.12 OCC(CO)C1=CC=CC=C1 CS21198 [1,0,1,0,0,0|1,0,1]=4 56 B11R1.16 CC(N=C=O)C1=CC=CC=C1 MC20438 [1,0,1,0,0,0|0,0,2]=4 57 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [1,0,1,0,0,0|1,0,1]=4 58 B13R1.713 CC(=O)NC(CO)c1ccccc1 MC436100 [0,1,1,0,0,0|1,0,1]=4 59 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 MC42230 [0,1,1,0,0,0|2,0,0]=4 60 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 MC42231 [0,1,1,0,0,0|2,0,0]=4 61 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 CS12844 [0,1,1,0,0,0|2,0,0]=4 62 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 CS11125 [0,1,1,0,0,0|2,0,0]=4 63 B13R1.15 COC(=O)CCC1=CC(Br)=CC=C1 MC433967 [0,1,1,0,0,0|2,0,0]=4 64 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 MC112426 [0,1,1,0,0,0|2,0,0]=4 65 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 CS11158 [0,1,1,0,0,0|2,0,0]=4 66 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 MC428077 [0,1,1,0,0,0|2,0,0]=4 67 B13R1.135 COC(=O)C(N)Cc1ccccc1 MC438088 [0,1,1,0,0,0|2,0,0]=4 68 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS11127 [0,1,1,0,0,0|2,0,0]=4 69 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS14552 [0,1,1,0,0,0|2,0,0]=4 70 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS21578 [0,1,1,0,0,0|2,0,0]=4 71 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 MC433966 [0,1,1,0,0,0|2,0,0]=4 72 B13R1.147 CC(CC(=O)O)C1=CC(F)=CC=C1 MC112322 [0,1,1,0,0,0|2,0,0]=4 73 B13R2.13 BrC1=CC=CC(C2=COC=N2)=C1 MC442218 [1,1,0,0,0,0|0,0,2]=4 74 B15R2.299 NC1=N[NH+](C2=CC(Cl)=C(Cl)C=C2)[N-]O1 MC445820 [0,2,0,0,0,0|2,0,0]=4 75 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 CS10012 [0,0,1,1,0,0|2,0,0]=4 76 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,0,1,0,1,0|2,0,0]=4 77 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS10890 [0,0,1,0,1,0|1,0,0]=3 78 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS14544 [0,0,1,0,1,0|1,0,0]=3 79 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 MC427369 [0,0,1,0,1,0|1,1,0]=4 80 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 CS15488 [0,0,1,0,1,0|1,0,1]=4 81 B11R1.36 NC(=O)C(N)c1ccccc1 MC438104 [0,0,1,0,1,0|1,0,1]=4 82 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS11192 [0,0,1,0,1,0|2,0,0]=4 83 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS14083 [0,0,1,0,1,0|2,0,0]=4 84 B11R1.36 NC(C(=O)O)c1ccccc1 MC438102 [0,0,1,0,1,0|2,0,0]=4 85 B11R1.36 NC(C(=O)O)c1ccccc1 MC438103 [0,0,1,0,1,0|2,0,0]=4 86 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10861 [0,0,1,0,1,0|2,0,0]=4 87 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10862 [0,0,1,0,1,0|2,0,0]=4 88 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS15279 [0,0,1,0,1,0|2,0,0]=4 89 B11R2.4 NC1CC1C2=CC=CC=C2 MC100890 [0,0,0,0,2,0|0,0,1]=3 90 B11R2.4 NC1CC1C2=CC=CC=C2 MC106461 [0,0,0,0,2,0|0,0,1]=3