0 B13R2.64 C(N1C=CN=C1)C2=CC=CC=C2 PI-24409 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.64 C1=CC=C(C=C1)CC2=NNN=N2 PI-32965 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.64 C1=CC=C(C=C1)CN2C=CC=N2 PI-35474 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.64 C1=CC=C(C=C1)OC2=CSC=C2 PI-29804 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.64 C1C=CCN1CC2=CC=CC=C2 PI-40179 [0,0,0,0,0,0|3,0,0]=3 5 B14R2.19 C1=CC=C(C=C1)CC2=NN=C(O2)N PI-28371 [0,1,0,0,0,0|2,0,0]=3 6 B14R2.19 C1=CC=C(C=C1)CN2C=C(C=N2)I PI-12768 [0,1,0,0,0,0|2,0,0]=3 7 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 PI-16646 [0,1,0,0,0,0|2,0,1]=4 8 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 PI-16647 [0,1,0,0,0,0|2,0,1]=4 9 B14R2.19 C1C(NC(=S)S1)CC2=CC=CC=C2 PI-16641 [0,1,0,0,0,0|2,0,1]=4 10 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 PI-16270 [0,1,0,0,0,0|2,0,1]=4 11 B14R2.19 O=C1OC[C@H](N1)Cc2ccccc2 PI-10266 [0,1,0,0,0,0|2,0,1]=4 12 B14R2.19 S=C1SC[C@@H](CC2=CC=CC=C2)N1 PI-16642 [0,1,0,0,0,0|2,0,1]=4 13 B14R2.72 C1=CC(=CC=C1CN2C=NC=N2)N PI-10031 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.114 C1=CC=C(C=C1)C(=O)C2=CC=CS2 PI-10989 [0,1,0,0,0,0|2,0,1]=4 15 B12R2.2 C1(=CC=CC=C1)C2=NC=CS2 PI-40540 [0,0,0,0,1,0|1,0,0]=2 16 B12R2.2 C1(C2=CC=CC=C2)=NNC=C1 PI-37171 [0,0,0,0,1,0|2,0,0]=3 17 B12R2.2 C1(C2=CC=CS2)=CC=NC=C1 PI-37152 [0,0,0,0,1,0|3,0,0]=4 18 B12R2.2 C1=CC=C(C=C1)C2=CC=CS2 PI-11147 [0,0,0,0,1,0|2,0,0]=3 19 B12R2.2 C1=CC=C(C=C1)C2=CN=CN2 PI-46515 [0,0,0,0,1,0|2,0,0]=3 20 B12R2.2 C1=CC=C(C=C1)C2=CSC=C2 PI-29382 [0,0,0,0,1,0|3,0,0]=4 21 B12R2.2 C1=CC=C(C=C1)C2=NNN=N2 PI-16175 [0,0,0,0,1,0|2,0,1]=4 22 B12R2.2 C1=CC=C(C=C1)N2C=CC=N2 PI-13606 [0,0,0,0,1,0|2,0,0]=3 23 B12R2.2 C1=CC=NC(=C1)C2=CC=CS2 PI-29489 [0,0,0,0,1,0|3,0,0]=4 24 B12R2.2 C1=CC=NC(=C1)C2=NC=CN2 PI-45290 [0,0,0,0,1,0|1,0,0]=2 25 B12R2.2 C1=CN=CC=C1C2=NC=CN2 PI-45289 [0,0,0,0,1,0|1,0,0]=2 26 B12R2.2 C1CN=C(N1)C2=CC=CC=C2 PI-32322 [0,0,0,0,1,0|0,0,2]=3 27 B12R2.2 N1N=NC=C1C2=CC=CC=C2 PI-39989 [0,0,0,0,1,0|3,0,0]=4 28 B12R2.2 c1ccc(cc1)c2ncc[nH]2 PI-31813 [0,0,0,0,1,0|0,0,0]=1 29 B12R2.2 c1ccc(cn1)c2cccs2 PI-29340 [0,0,0,0,1,0|3,0,0]=4 30 B12R2.2 c1ccc(nc1)c2n[nH]cc2 PI-38818 [0,0,0,0,1,0|3,0,0]=4 31 B12R2.2 c1ccc(nc1)c2ncn[nH]2 PI-38247 [0,0,0,0,1,0|2,0,0]=3 32 B12R2.2 n1ccc(cc1)c2c[nH]cn2 PI-36102 [0,0,0,0,1,0|3,0,0]=4 33 B12R2.98 C1(CC2=CC=CN2)=CC=CN1 PI-42599 [0,0,0,0,1,0|2,0,0]=3 34 B12R2.98 C1=CN(C=C1)CC2=CC=CO2 PI-12066 [0,0,0,0,1,0|3,0,0]=4 35 B12R2.98 C1=CSC(=C1)CC2=CC=CS2 PI-33804 [0,0,0,0,1,0|3,0,0]=4 36 B14R2.6 C1([I+]C2=CC=CC=C2)=CC=CC=C1 PI-37355 [0,0,0,0,0,1|3,0,0]=4 37 B14R2.6 C1=CC=C(C=C1)NC2=CC=CC=C2 PI-46971 [0,0,0,0,0,1|3,0,0]=4 38 B14R2.6 C1=CC=C(C=C1)NC2=CC=NC=C2 PI-47018 [0,0,0,0,0,1|3,0,0]=4 39 B14R2.6 C1=CC=C(C=C1)[I+]C2=CC=CC=C2 PI-29354 [0,0,0,0,0,1|3,0,0]=4 40 B14R2.6 C1=CC=C(C=C1)[I+]C2=CC=CC=C2 PI-29718 [0,0,0,0,0,1|3,0,0]=4 41 B14R2.6 C1=CC=NC(=C1)NC2=CC=CC=N2 PI-25088 [0,0,0,0,0,1|3,0,0]=4 42 B14R2.6 C1=CCN(CC1)Cc2ccccc2 PI-38868 [0,0,0,0,0,1|3,0,0]=4 43 B14R2.6 C1CN(CC=C1)CC2=CC=CC=C2 PI-43367 [0,0,0,0,0,1|3,0,0]=4 44 B14R2.101 c1ccc(cc1)CSc2nnn[nH]2 PI-31109 [0,0,0,0,0,1|2,0,0]=3 45 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [1,0,1,0,0,0|2,0,0]=4 47 B13R1.348 C1=CC=C(C=C1)N=C(N)N=C(N)N PI-13772 [0,1,1,0,0,0|2,0,0]=4 48 B13R1.348 C1=CC=C(C=C1)N=C(N)N=C(N)N PI-47169 [0,1,1,0,0,0|2,0,0]=4 49 B13R2.10 BrC1=NN=C(C2=CC=CC=C2)O1 PI-46745 [0,1,0,0,1,0|2,0,0]=4 50 B13R2.10 Brc1ccc(s1)c2ccccc2 PI-29441 [0,1,0,0,1,0|2,0,0]=4 51 B13R2.10 C1=CC=C(C=C1)C2=CC(=NN2)N PI-30951 [0,1,0,0,1,0|2,0,0]=4 52 B13R2.10 C1=CC=C(C=C1)C2=CSC(=N2)Br PI-40541 [0,1,0,0,1,0|2,0,0]=4 53 B13R2.10 C1=CC=C(C=C1)C2=CSC(=O)N2 PI-20850 [0,1,0,0,1,0|2,0,0]=4 54 B13R2.10 C1=CC=C(C=C1)C2=NC(=NS2)N PI-11904 [0,1,0,0,1,0|2,0,0]=4 55 B13R2.10 C1=CC=C(C=C1)C2=NSC(=N2)N PI-30216 [0,1,0,0,1,0|1,0,1]=4 56 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 PI-30093 [0,1,0,0,1,0|1,0,1]=4 57 B13R2.10 Cc1ccn(n1)c2ccccc2 PI-13607 [0,1,0,0,1,0|2,0,0]=4 58 B13R2.12 Brc1ccc(cc1)c2cccs2 PI-29566 [0,1,0,0,1,0|2,0,0]=4 59 B13R2.12 C1=CC(=CC=C1C2=NC=CN2)Br PI-45252 [0,1,0,0,1,0|0,0,0]=2 60 B13R2.12 C1=CC(=CC=C1C2=NOC=N2)N PI-48820 [0,1,0,0,1,0|1,0,1]=4 61 B13R2.12 C1=COC(=C1)C2=CC=C(C=C2)N PI-19745 [0,1,0,0,1,0|2,0,0]=4 62 B13R2.12 Fc1ccc(cc1)c2cccs2 PI-37870 [0,1,0,0,1,0|2,0,0]=4 63 B13R2.15 C1=CC=C(C=C1)N2C(=CC=N2)N PI-30950 [0,1,0,0,1,0|2,0,0]=4 64 B13R2.18 Brc1ccccc1c2ncc[nH]2 PI-39139 [0,1,0,0,1,0|0,0,0]=2 65 B13R2.18 Brc1ccccc1c2nnn[nH]2 PI-12019 [0,1,0,0,1,0|2,0,0]=4 66 B13R2.18 C1=CC=C(C(=C1)C2=CC=CO2)N PI-19718 [0,1,0,0,1,0|2,0,0]=4 67 B13R2.18 C1=CC=C(C(=C1)C2=CC=CS2)Br PI-45029 [0,1,0,0,1,0|2,0,0]=4 68 B13R2.18 C1=CC=C(C(=C1)C2=NC=CN2)O PI-45245 [0,1,0,0,1,0|0,0,0]=2 69 B13R2.18 Clc1ccccc1c2nnn[nH]2 PI-32964 [0,1,0,0,1,0|2,0,0]=4 70 B13R2.18 Oc1ccccc1c2cc[nH]n2 PI-38806 [0,1,0,0,1,0|2,0,0]=4 71 B15R2.29 C1=CC=C(C=C1)CC2=CC=C(C=C2)Br PI-21405 [0,1,0,0,0,1|2,0,0]=4 72 B15R2.29 C1=CC=C(C=C1)CC2=CC=C(C=C2)Cl PI-15773 [0,1,0,0,0,1|2,0,0]=4 73 B15R2.29 C1=CC=C(C=C1)CC2=CC=C(C=C2)F PI-23577 [0,1,0,0,0,1|2,0,0]=4 74 B15R2.29 C1=CC=C(C=C1)CC2=CC=C(C=C2)N PI-28064 [0,1,0,0,0,1|2,0,0]=4 75 B15R2.31 C1=CC=C(C=C1)CC2=CC(=CC=C2)N PI-28688 [0,1,0,0,0,1|2,0,0]=4 76 B15R2.38 C1=CC=C(C=C1)CC2=CC=CC=C2Br PI-21404 [0,1,0,0,0,1|2,0,0]=4 77 B15R2.38 C1=CC=C(C=C1)CC2=CC=CC=C2F PI-23576 [0,1,0,0,0,1|2,0,0]=4 78 B15R2.38 C1=CC=C(C=C1)CC2=CC=CC=C2O PI-11801 [0,1,0,0,0,1|2,0,0]=4 79 B15R2.2226 C1=CC=C(C=C1)C(=O)C2=CN=CC=C2 PI-31491 [0,1,0,0,0,1|1,0,1]=4 80 B15R2.2226 C1=CC=C(C=C1)C(C2=CC=CC=C2)N PI-10973 [0,1,0,0,0,1|2,0,0]=4 81 B15R2.2226 NC(C1=CC=CC=C1)C2=NC=CC=C2 PI-46748 [0,1,0,0,0,1|1,0,0]=3 82 B15R2.2226 NC(c1ccccc1)c2ccccc2 PI-10972 [0,1,0,0,0,1|2,0,0]=4 83 B15R2.64 C1=CC=C(C=C1)C[C@@H](C2=NC=CS2)N PI-48764 [0,1,0,0,0,1|1,0,0]=3 84 B15R2.100 CC1=CC=C(C=C1)NCC2=CC=CO2 PI-17887 [0,1,0,0,0,1|2,0,0]=4 85 B15R2.283 C1=CC=C(C=C1)CSC2=NN=C(S2)N PI-11802 [0,1,0,0,0,1|2,0,0]=4 86 B15R2.1109 CC1=C(C)C(CC2=CN=CN2)=CC=C1 PI-39623 [0,2,0,0,0,0|2,0,0]=4 87 B15R2.91 Clc1ccc(cc1)C(=O)c2nccs2 PI-23164 [0,2,0,0,0,0|1,0,1]=4 88 B15R2.1108 Clc1cccc(c1)C(=O)c2nccs2 PI-23163 [0,2,0,0,0,0|1,0,1]=4 89 B13R2.3 c1ccc(cc1)c2ccccn2 PI-10232 [0,0,1,1,0,0|1,0,1]=4 90 B13R2.3 c1ccc(cn1)c2ccccc2 PI-31486 [0,0,1,1,0,0|1,0,1]=4 91 B13R2.328 C1C2=CC=CC=C2C(=O)NC1=O PI-40295 [0,0,1,1,0,0|2,0,0]=4 92 B13R2.328 Nc1cc2ccccc2c(Br)n1 PI-29111 [0,0,1,1,0,0|1,0,1]=4 93 B15R3.3 C1=CC=C2C(=C1)C3=C(N2)C=CC=N3 PI-41240 [0,0,0,1,0,1|2,0,0]=4 94 B15R3.3 C1C2=CC=CC=C2C3=CC=CC=C31 PI-34163 [0,0,0,1,0,1|2,0,0]=4 95 B15R3.3 c1ccc2c(c1)[nH]c3c2cccn3 PI-37910 [0,0,0,1,0,1|2,0,0]=4 96 B15R3.3 c1ccc2c(c1)[nH]c3c2ccnc3 PI-27390 [0,0,0,1,0,1|2,0,0]=4 97 B15R3.1739 C1=CC=C2C(=C1)C=CC3=NN=CN32 PI-29373 [0,0,0,1,0,1|1,0,1]=4 98 B15R3.15273 Cc1cccc2c1n3cnnc3s2 PI-24404 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.16 C=COC(=O)C1=CC=CC=C1 PI-44652 [0,0,1,0,1,0|2,0,0]=4 100 B11R2.2 C1=CN=C(N1)C2=NC=CS2 PI-45287 [0,0,0,0,2,0|2,0,0]=4 101 B11R2.2 C1=CSC(=C1)C2=NC=CN2 PI-45288 [0,0,0,0,2,0|1,0,0]=3 102 B15R2.2195 C1=CC=C(C=C1)CCC2=CC=CC=C2 PI-29039 [0,0,0,0,0,2|2,0,0]=4 103 B15R2.2195 C1=CC=C(C=C1)CNC2=CC=CC=N2 PI-31488 [0,0,0,0,0,2|1,0,0]=3 104 B15R2.2195 C1=CC=C(C=C1)COC2=CC=CC=C2 PI-20328 [0,0,0,0,0,2|2,0,0]=4 105 B15R2.2195 C1=CC=C(C=C1)COC2=CC=NC=C2 PI-43980 [0,0,0,0,0,2|2,0,0]=4 106 B15R2.2195 C1=CC=C(C=C1)CSC2=CC=CC=C2 PI-11012 [0,0,0,0,0,2|2,0,0]=4 107 B15R2.2196 C1=CC=C(C=C1)CNCC2=CC=CO2 PI-28535 [0,0,0,0,0,2|2,0,0]=4