0 B20R3.13449 Nc1nc(Nc2ccccc2)nc3c1cccc3 1P001B6S [0,0,0,0,0,0|0,0,0]=0 1 B20R3.13449 O=c1[nH]c(Nc2ccccc2)cc3c1cccc3 1P019LXW [0,0,0,0,0,0|2,0,1]=3 2 B20R3.13449 O=c1[nH]c(Nc2cccnc2)cc3c1cccc3 1P01B23G [0,0,0,0,0,0|3,0,1]=4 3 B19R3.19215 c1ccc(cc1)Cc2ccc3c(n2)cccc3 1P002065 [1,0,0,0,0,0|2,0,0]=3 4 B19R3.19215 c1ccc(cc1)NC2=Nc3c(CS2)cccc3 1P007SXM [1,0,0,0,0,0|1,0,1]=3 5 B19R3.19215 c1ccc(cc1)Nc2ccc3c(c2)cccc3 1P003TRP [1,0,0,0,0,0|2,0,0]=3 6 B19R3.19215 c1ccc(cc1)Nc2cnc3c(c2)cccc3 1P00J8BY [1,0,0,0,0,0|3,0,0]=4 7 B21R3.411499 O=c1nc(Cc2ccccc2)n(c3c1cccc3)C 1P006278 [0,1,0,0,0,0|2,0,1]=4 8 B21R3.416807 Brc1ccc2c(c1)c(N)nc(n2)Nc3ccccc3 1P0282YT [0,1,0,0,0,0|0,0,0]=1 9 B19R2.8929 O=C(CC(=O)c1ccccc1)Nc2ccccc2 1P003H1K [0,0,1,0,0,0|3,0,0]=4 10 B21R4.6643450 Brc1cc2[nH]c3c(c2c4c1cccc4)cccc3 1P009E4M [0,0,0,1,0,0|3,0,0]=4 11 B19R3.182 O=C1\C(=C\c2ccccc2)\Cc3c1cccc3 1P00202P [0,0,0,0,1,0|3,0,0]=4 12 B19R3.9171 Brc1cc(nc2c1cccc2)c3ccccc3 1P00DJDB [0,0,0,0,1,0|2,0,0]=3 13 B19R3.9171 Clc1nc(nc2c1cccc2)c3ccccc3 1P00E9U4 [0,0,0,0,1,0|1,0,0]=2 14 B19R3.9171 Clc1nc(nc2c1cccc2)c3ccccn3 1P01BEEI [0,0,0,0,1,0|2,0,0]=3 15 B19R3.9171 Clc1nc(nc2c1cccc2)c3cccnc3 1P00694K [0,0,0,0,1,0|2,0,0]=3 16 B19R3.9171 Clc1nc(nc2c1cccc2)c3ccncc3 1P006TP3 [0,0,0,0,1,0|2,0,0]=3 17 B19R3.9171 Nc1cc(nc2c1cccc2)c3ccccc3 1P0037IC [0,0,0,0,1,0|1,0,0]=2 18 B19R3.9171 Nc1cc(nc2c1cccc2)c3ccccc3 1P01B7HU [0,0,0,0,1,0|1,0,0]=2 19 B19R3.9171 Nc1nc(nc2c1cccc2)c3ccccc3 1P0007CT [0,0,0,0,1,0|0,0,0]=1 20 B19R3.9171 Nc1nc(nc2c1cccc2)c3cccnc3 1P00BE2D [0,0,0,0,1,0|1,0,0]=2 21 B19R3.9171 O=c1[nH]c(nc2c1cccc2)c3ccccc3 1P0007CS [0,0,0,0,1,0|1,0,1]=3 22 B19R3.9171 O=c1[nH]c(nc2c1cccc2)c3ccccn3 1P002W99 [0,0,0,0,1,0|2,0,1]=4 23 B19R3.9171 O=c1cc(oc2c1cccc2)c3ccccc3 1P003R25 [0,0,0,0,1,0|3,0,0]=4 24 B19R3.9171 O=c1nc(sc2c1cccc2)c3ccccn3 1P01FGRH [0,0,0,0,1,0|3,0,0]=4 25 B19R3.9171 O=c1oc(nc2c1cccc2)c3ccccc3 1P0007CR [0,0,0,0,1,0|2,0,0]=3 26 B19R3.9171 Oc1cc(cc2c1cccc2)c3ccccc3 1P00BILR [0,0,0,0,1,0|3,0,0]=4 27 B19R3.9171 Oc1cc(nc2c1cccc2)c3ccccc3 1P000BPF [0,0,0,0,1,0|2,0,0]=3 28 B19R3.9171 Oc1nc(nc2c1cccc2)c3cccnc3 1P01DKQN [0,0,0,0,1,0|2,0,0]=3 29 B19R3.9171 Oc1nc(nc2c1cccc2)c3ccncc3 1P00IBVI [0,0,0,0,1,0|2,0,0]=3 30 B19R3.9171 [O-]c1nc(nc2c1cccc2)c3ccccc3 1P01FEZF [0,0,0,0,1,0|1,0,0]=2 31 B19R3.17443 Brc1nn(c2c1cccc2)Cc3ccccc3 1P00BI92 [0,0,0,0,1,0|3,0,0]=4 32 B19R3.17443 Ic1nn(c2c1cccc2)Cc3ccccc3 1P002AP0 [0,0,0,0,1,0|3,0,0]=4 33 B19R3.17443 Nc1cn(c2c1cccc2)Cc3ccccc3 1P000HST [0,0,0,0,1,0|3,0,0]=4 34 B19R3.17443 Nc1nn(c2c1cccc2)Cc3ccccc3 1P002W24 [0,0,0,0,1,0|2,0,0]=3 35 B19R3.17443 O=C1O\C(=C/c2ccccc2)\c3c1cccc3 1P00IAPM [0,0,0,0,1,0|3,0,0]=4 36 B19R3.17443 Oc1nn(c2c1cccc2)Cc3ccccc3 1P003EG8 [0,0,0,0,1,0|3,0,0]=4 37 B19R3.17443 [O-]c1nn(c2c1cccc2)Cc3ccccc3 1P009AXG [0,0,0,0,1,0|3,0,0]=4 38 B18R2.199 ClCC(=Nc1ccccc1)Nc2ccccc2 1P00CRQ8 [1,0,1,0,0,0|1,0,1]=4 39 B18R2.3983 O=C(Cc1ccccc1N)Nc2ccccc2 1P019MW4 [1,0,1,0,0,0|2,0,0]=4 40 B18R2.3983 O=C(Nc1ccccc1N)Nc2ccccc2 1P00F1RD [1,0,1,0,0,0|1,0,1]=4 41 B20R3.13439 Cc1ccccc1NC2=Nc3c(CS2)cccc3 1P008ZVX [1,1,0,0,0,0|1,0,1]=4 42 B20R3.19901 Cc1ccc(cc1)NC2=Nc3c(CS2)cccc3 1P0079MZ [1,1,0,0,0,0|1,0,1]=4 43 B20R3.19901 Cc1ccc(cc1)Nc2ccc3c(c2)cccc3 1P003SVX [1,1,0,0,0,0|2,0,0]=4 44 B20R3.19901 Oc1ccc(cc1)Nc2ccc3c(c2)cccc3 1P00IHWK [1,1,0,0,0,0|2,0,0]=4 45 B20R3.8734 O=C(c1oc2c(c1N)cccc2)c3ccccc3 1P00DNJJ [0,1,0,0,1,0|2,0,0]=4 46 B20R3.5740 Clc1ccccc1c2nc(S)c3c(n2)cccc3 1P00AMSW [0,1,0,0,1,0|1,0,0]=3 47 B20R3.5740 Oc1ccccc1c2nc(=O)c3c(o2)cccc3 1P0016IQ [0,1,0,0,1,0|2,0,0]=4 48 B20R3.19283 Brc1ccc(cc1)c2nc(Cl)c3c(n2)cccc3 1P0055PN [0,1,0,0,1,0|1,0,0]=3 49 B20R3.19283 Brc1ccc(cc1)c2nc3ccccc3c(=O)[nH]2 1P01KLJ6 [0,1,0,0,1,0|1,0,1]=4 50 B20R3.19283 Brc1ccc(cc1)c2nc3ccccc3c(=S)[nH]2 1P0002PN [0,1,0,0,1,0|1,0,1]=4 51 B20R3.19283 Cc1ccc(cc1)c2nc(Cl)c3c(n2)cccc3 1P00EQSR [0,1,0,0,1,0|1,0,0]=3 52 B20R3.19283 Clc1ccc(cc1)c2nc(Cl)c3c(n2)cccc3 1P00EFVO [0,1,0,0,1,0|1,0,0]=3 53 B20R3.91676 Brc1cccc(c1)c2nc3ccccc3c(=O)o2 1P00DDOM [0,1,0,0,1,0|2,0,0]=4 54 B20R3.91676 Oc1cccc(c1)c2nc3ccccc3c(=O)[nH]2 1P00GUGH [0,1,0,0,1,0|1,0,1]=4 55 B20R3.96524 Brc1c(O)c(nc2c1cccc2)c3ccccc3 1P000Q1G [0,1,0,0,1,0|2,0,0]=4 56 B20R3.251362 Oc1cc(nc2c1cccc2Br)c3ccccc3 1P00H0TZ [0,1,0,0,1,0|2,0,0]=4 57 B20R3.251362 Oc1cc(nc2c1cccc2C)c3ccccc3 1P00IHTN [0,1,0,0,1,0|2,0,0]=4 58 B20R3.251362 Oc1cc(nc2c1cccc2Cl)c3ccccc3 1P0073C6 [0,1,0,0,1,0|2,0,0]=4 59 B20R3.263189 Brc1ccc2c(c1)c(Cl)cc(n2)c3ccccc3 1P00H0TU [0,1,0,0,1,0|2,0,0]=4 60 B20R3.263189 Cc1ccc2c(c1)c(O)cc(n2)c3ccccc3 1P000FP6 [0,1,0,0,1,0|2,0,0]=4 61 B20R3.263189 Clc1ccc2c(c1)c(=O)oc(n2)c3ccccc3 1P00FF5G [0,1,0,0,1,0|2,0,0]=4 62 B20R3.277426 Brc1ccc2c(c1)nc(cc2O)c3ccccc3 1P0054GX [0,1,0,0,1,0|2,0,0]=4 63 B20R3.277426 Clc1ccc2c(c1)nc(nc2Cl)c3ccccn3 1P01JLZS [0,1,0,0,1,0|2,0,0]=4 64 B20R3.277426 Clc1ccc2c(c1)nc(nc2Cl)c3cccnc3 1P01JLZD [0,1,0,0,1,0|2,0,0]=4 65 B20R3.277426 Clc1ccc2c(c1)nc(nc2Cl)c3ccncc3 1P01JLYZ [0,1,0,0,1,0|2,0,0]=4 66 B20R3.133151 Fc1ccccc1N=C2N=C(c3c2cccc3)N 1P019J8N [0,1,0,0,1,0|0,0,1]=3 67 B22R3.45921 Cc1ccc(cc1Cl)Nc2nc(N)c3c(n2)cccc3 1P01V3FH [0,2,0,0,0,0|0,0,0]=2 68 B22R3.5319878 Cc1ccc(cc1)Nc2nc3ccc(cc3c(=O)o2)C 1P008FQT [0,2,0,0,0,0|2,0,0]=4 69 B20R3.370 NCCc1nc2c(n1c3ccccc3)cccc2 1P0280XZ [0,0,1,1,0,0|1,0,1]=4 70 B20R3.13141 Cc1nc2ccccc2c(=O)n1c3ccccc3 1P00BVTD [0,0,1,1,0,0|2,0,0]=4 71 B20R3.13141 Clc1nc2ccccc2c(=O)n1c3ccccc3 1P005Q4U [0,0,1,1,0,0|2,0,0]=4 72 B20R3.13141 O=C1N(C2=CC=CC=C2)C(N)=NC3=C1C=CC=C3 1P01KZX2 [0,0,1,1,0,0|1,0,1]=4 73 B20R3.2719 c1ccc(cc1)Nc2snc(n2)c3ccccc3 1P0020CG [0,0,1,1,0,0|1,0,1]=4 74 B20R3.16119 O=C(c1ccccc1)Cc2nc3c([nH]2)cccc3 1P006QWQ [0,0,1,1,0,0|2,0,0]=4 75 B20R4.2669 c1ccc2c(c1)ccc3c2c4ccccc4[nH]3 1P002A98 [1,0,0,1,0,0|2,0,0]=4 76 B20R4.1699069 c1ccc2c(c1)cc3c(c2)[nH]c4c3cccc4 1P0034YK [1,0,0,1,0,0|2,0,0]=4 77 B20R4.1699069 c1ccc2c(c1)nc3c(n2)[nH]c4c3cccc4 1P00GE3Q [1,0,0,1,0,0|2,0,0]=4 78 B18R2.7138 NC(=N)c1ccccc1OCc2ccccc2 1P00HHSF [0,0,1,0,1,0|1,0,1]=4 79 B18R2.7204 NC(c1ccccc1)C(=O)Nc2ccccc2 1P019UV7 [0,0,1,0,1,0|1,0,1]=4 80 B18R3.2098 c1ccc(cc1)Cc2n[nH]c3c2cccc3 1P00DC7L [1,0,0,0,1,0|2,0,0]=4 81 B18R3.2098 c1ccc(cc1)Cn2ncc3c2cccc3 1P019PJD [1,0,0,0,1,0|2,0,0]=4 82 B18R3.2123 c1ccc(cc1)c2ccc3c(c2)cccc3 1P003ICC [1,0,0,0,1,0|2,0,0]=4 83 B18R3.2123 c1ccc(cc1)c2ccc3c(n2)cccc3 1P003ICK [1,0,0,0,1,0|1,0,0]=3 84 B18R3.2123 c1ccc(cc1)c2cnc3c(n2)cccc3 1P00DEWX [1,0,0,0,1,0|2,0,0]=4 85 B18R3.2123 c1ccc(cc1)c2ncc3c(c2)cccc3 1P00C800 [1,0,0,0,1,0|1,0,0]=3 86 B18R3.2123 c1ccc(cc1)c2ncc3c(n2)cccc3 1P00I5EH [1,0,0,0,1,0|0,0,0]=2 87 B18R3.12792 c1ccc(cc1)Nc2ccc3c(o2)ccc3 1P005O19 [1,0,0,0,1,0|2,0,0]=4 88 B18R3.12875 c1ccc(cc1)Cc2cc3c([nH]2)cccc3 1P00CQ6M [1,0,0,0,1,0|1,0,1]=4 89 B18R3.12875 c1ccc(cc1)Cc2nc3c([nH]2)cccc3 1P0039Q1 [1,0,0,0,1,0|1,0,1]=4 90 B18R3.12875 c1ccc(cc1)Cc2nc3c([nH]2)cccc3 1P007QZC [1,0,0,0,1,0|1,0,1]=4 91 B18R3.12875 c1ccc(cc1)Cc2nc3n(c2)cccc3 1P01B8JJ [1,0,0,0,1,0|2,0,0]=4 92 B18R3.12875 c1ccc(cc1)Cn2cc3c(n2)cccc3 1P01C5BW [1,0,0,0,1,0|2,0,0]=4 93 B18R3.12875 c1ccc(cc1)Sc2nc3c([nH]2)cccc3 1P002OBR [1,0,0,0,1,0|1,0,1]=4 94 B18R3.111 Ic1c(oc2c1cccc2)c3ccccc3 1P002PA2 [0,0,0,0,2,0|2,0,0]=4 95 B18R3.111 Nc1c([nH]c2c1cccc2)c3ccccc3 1P002MFH [0,0,0,0,2,0|0,0,1]=3 96 B18R3.111 Nc1c(nc2n1cccc2)c3ccccc3 1P00BYG7 [0,0,0,0,2,0|1,0,0]=3 97 B18R3.111 Nc1c(nc2n1cccc2)c3ccccn3 1P019Z57 [0,0,0,0,2,0|2,0,0]=4 98 B18R3.111 Nc1c(nc2n1cccc2)c3cccnc3 1P019Z59 [0,0,0,0,2,0|2,0,0]=4 99 B18R3.111 Nc1c(nc2n1cccc2)c3ccncc3 1P019Z23 [0,0,0,0,2,0|2,0,0]=4 100 B18R3.111 Nc1c(nc2n1cccn2)c3ccccc3 1P004U61 [0,0,0,0,2,0|2,0,0]=4 101 B18R3.111 Nc1c(nc2n1ccnc2)c3ccccc3 1P00CF18 [0,0,0,0,2,0|2,0,0]=4 102 B18R3.6548 Clc1nc(nc2c1cccc2)c3cccs3 1P00ERAU [0,0,0,0,2,0|2,0,0]=4 103 B18R3.6548 Clc1nc(nc2c1cccc2)c3cscc3 1P00IHLD [0,0,0,0,2,0|2,0,0]=4 104 B18R3.6548 Sc1nc(nc2c1cccc2)c3ccco3 1P019KMG [0,0,0,0,2,0|2,0,0]=4 105 B18R3.6548 Sc1nc(nc2c1cccc2)c3cccs3 1P019PIS [0,0,0,0,2,0|2,0,0]=4 106 B18R3.6550 Clc1nc(nc2c1cc[nH]2)c3ccccc3 1P00IH23 [0,0,0,0,2,0|2,0,0]=4 107 B18R3.6550 Nc1nc(nc2c1ccs2)c3ccccc3 1P01DZ22 [0,0,0,0,2,0|1,0,0]=3 108 B18R3.6550 Nc1nc(nc2c1ccs2)c3ccccn3 1P01BW2U [0,0,0,0,2,0|2,0,0]=4 109 B18R3.11551 Brc1nc(n2c1cccc2)c3ccccc3 1P003EL2 [0,0,0,0,2,0|2,0,0]=4 110 B18R3.11551 Cc1nn(c2c1cccc2)c3ccccc3 1P001PY4 [0,0,0,0,2,0|2,0,0]=4 111 B20R3.30190 c1ccc(cc1)CNc2ccc3c(c2)cccc3 1P0012QZ [1,0,0,0,0,1|2,0,0]=4 112 B20R3.13189 Clc1nnc(c2c1cccc2)Cc3ccccc3 1P003EGK [0,0,0,0,1,1|2,0,0]=4 113 B20R3.13189 O=c1[nH]nc(c2c1cccc2)Cc3ccccc3 1P00CQ8C [0,0,0,0,1,1|2,0,0]=4 114 B22R3.673125 O=c1[nH]c(CNCc2ccccc2)nc3c1cccc3 1P019KM1 [0,0,0,0,0,2|1,0,1]=4