0 B8R1.18 BrC1=NN(C(=O)C1)C 1P01FQKJ [0,0,0,0,0,0|4,0,0]=4 1 B8R1.18 Brc1[nH]c(c(n1)Br)Br 1P0029CD [0,0,0,0,0,0|4,0,0]=4 2 B8R1.18 Brc1[nH]c(c(n1)Br)C 1P003GDF [0,0,0,0,0,0|3,0,0]=3 3 B8R1.18 Brc1[nH]c(c(n1)Cl)Cl 1P001VSE [0,0,0,0,0,0|4,0,0]=4 4 B8R1.18 Brc1cc(n(n1)C)Br 1P01FQ95 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.18 Brc1cn(c(n1)C)C 1P0036WQ [0,0,0,0,0,0|3,0,0]=3 6 B8R1.18 Brc1cn(c(n1)N)C 1P001UDC [0,0,0,0,0,0|4,0,0]=4 7 B8R1.18 Brc1nc(n(c1)C)Br 1P00DASK [0,0,0,0,0,0|4,0,0]=4 8 B8R1.18 Brc1nc(n(n1)C)Br 1P002O7M [0,0,0,0,0,0|4,0,0]=4 9 B8R1.18 Brc1nn(c(c1)C)C 1P003A8R [0,0,0,0,0,0|3,0,0]=3 10 B8R1.18 Brc1nn(c(c1)Cl)C 1P00J3A4 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.18 Brc1nn(c(c1)F)C 1P01ANAB [0,0,0,0,0,0|4,0,0]=4 12 B8R1.18 Brc1nn(c(c1)N)C 1P007NYD [0,0,0,0,0,0|4,0,0]=4 13 B8R1.18 Brc1nn(c(n1)C)C 1P00F0ND [0,0,0,0,0,0|3,0,0]=3 14 B8R1.18 Brc1nn(c(n1)Cl)C 1P01DVZI [0,0,0,0,0,0|4,0,0]=4 15 B8R1.18 Brc1nn(c(n1)F)C 1P01QV49 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.18 Brc1nn(c(n1)I)C 1P01FJ0T [0,0,0,0,0,0|4,0,0]=4 17 B8R1.18 Brc1nn(c(n1)O)C 1P00C2MM [0,0,0,0,0,0|4,0,0]=4 18 B8R1.18 Brc1nn(nc1Br)C 1P002XKU [0,0,0,0,0,0|4,0,0]=4 19 B8R1.18 Brc1oc(c(n1)C)C 1P000LYQ [0,0,0,0,0,0|1,0,0]=1 20 B8R1.18 Brc1sc(c(c1)Br)C 1P002YT7 [0,0,0,0,0,0|3,1,0]=4 21 B8R1.18 Brc1sc(c(c1)C)Br 1P0010DT [0,0,0,0,0,0|3,1,0]=4 22 B8R1.18 Brc1sc(c(n1)Br)Br 1P00ELMF [0,0,0,0,0,0|3,1,0]=4 23 B8R1.18 Brc1sc(c(n1)Br)C 1P003G69 [0,0,0,0,0,0|2,1,0]=3 24 B8R1.18 Brc1sc(c(n1)C)Br 1P008N2N [0,0,0,0,0,0|2,1,0]=3 25 B8R1.18 Brc1sc(c(n1)C)C 1P0038K6 [0,0,0,0,0,0|1,1,0]=2 26 B8R1.18 Brc1sc(c(n1)Cl)Br 1P01HKKV [0,0,0,0,0,0|3,1,0]=4 27 B8R1.18 C=C1OC(=O)C(=C1)C 1P01GOIN [0,0,0,0,0,0|2,0,1]=3 28 B8R1.18 CC1=C(Br)SC(N)=N1 1P01KIO4 [0,0,0,0,0,0|2,1,0]=3 29 B8R1.18 CC1=C(C)CP(=O)C1 1P01IAQF [0,0,0,0,0,0|4,0,0]=4 30 B8R1.18 CC1=CC(=O)C(O1)C 1P001J8M [0,0,0,0,0,0|2,0,1]=3 31 B8R1.18 CC1=NC(C(S1)C)C 1P0037WX [0,0,0,0,0,0|0,1,2]=3 32 B8R1.18 CC1=NN(C(=O)C1)C 1P00I5O7 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.18 CC1OC(=O)OC1C 1P00DQ2V [0,0,0,0,0,0|2,0,2]=4 34 B8R1.18 CC1OC(C(=O)C1)C 1P00ELV2 [0,0,0,0,0,0|2,0,2]=4 35 B8R1.18 CC1SC(C(=N1)C)C 1P00F4VW [0,0,0,0,0,0|0,1,2]=3 36 B8R1.18 Cc1[nH]c(=O)[nH]c1C 1P007TOE [0,0,0,0,0,0|2,0,1]=3 37 B8R1.18 Cc1[nH]c(=S)[nH]c1C 1P000ISZ [0,0,0,0,0,0|2,0,1]=3 38 B8R1.18 Cc1[nH]c(c(n1)Br)Br 1P00BY11 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.18 Cc1[nH]c(c(n1)Br)C 1P00J2KK [0,0,0,0,0,0|2,0,0]=2 40 B8R1.18 Cc1[nH]c(c(n1)C)C 1P0056FW [0,0,0,0,0,0|1,0,0]=1 41 B8R1.18 Cc1[nH]c(c(n1)C)C 1P01BURG [0,0,0,0,0,0|1,0,0]=1 42 B8R1.18 Cc1[nH]c(c(n1)C)I 1P01NWJN [0,0,0,0,0,0|2,0,0]=2 43 B8R1.18 Cc1[nH]c(c(n1)Cl)Cl 1P001RQX [0,0,0,0,0,0|3,0,0]=3 44 B8R1.18 Cc1[nH]c(c(n1)I)I 1P003KYS [0,0,0,0,0,0|3,0,0]=3 45 B8R1.18 Cc1[nH]n(c(=O)c1)C 1P00CJAK [0,0,0,0,0,0|3,0,1]=4 46 B8R1.18 Cc1[nH]n(c(=O)n1)C 1P01HO1G [0,0,0,0,0,0|3,0,0]=3 47 B8R1.18 Cc1cc(n(n1)C)C 1P003DXC [0,0,0,0,0,0|2,0,0]=2 48 B8R1.18 Cc1cn(c(=O)[nH]1)C 1P01B7GU [0,0,0,0,0,0|3,0,1]=4 49 B8R1.18 Cc1cn(c(n1)Br)C 1P002O3B [0,0,0,0,0,0|3,0,0]=3 50 B8R1.18 Cc1cn(c(n1)N)C 1P028KME [0,0,0,0,0,0|3,0,0]=3 51 B8R1.18 Cc1nc(c(s1)I)Br 1P028ZPC [0,0,0,0,0,0|2,1,0]=3 52 B8R1.18 Cc1nc(n(c1)C)C 1P01G67B [0,0,0,0,0,0|2,0,0]=2 53 B8R1.18 Cc1nn(c(c1)Br)C 1P001U78 [0,0,0,0,0,0|3,0,0]=3 54 B8R1.18 Cc1nn(c(c1)Br)C 1P00EA5Q [0,0,0,0,0,0|3,0,0]=3 55 B8R1.18 Cc1nn(c(c1)Cl)C 1P003N2B [0,0,0,0,0,0|3,0,0]=3 56 B8R1.18 Cc1nn(c(c1)F)C 1P00JGO9 [0,0,0,0,0,0|3,0,0]=3 57 B8R1.18 Cc1nn(c(c1)I)C 1P00GQDO [0,0,0,0,0,0|3,0,0]=3 58 B8R1.18 Cc1nn(c(c1)N)C 1P007FCA [0,0,0,0,0,0|3,0,0]=3 59 B8R1.18 Cc1nn(c(c1)O)C 1P00DESB [0,0,0,0,0,0|3,0,0]=3 60 B8R1.18 Cc1nn(c(n1)Br)C 1P00F0NF [0,0,0,0,0,0|3,0,0]=3 61 B8R1.18 Cc1nn(c(n1)Cl)C 1P00F0NG [0,0,0,0,0,0|3,0,0]=3 62 B8R1.18 Cc1nn(c(n1)N)C 1P00DDIM [0,0,0,0,0,0|3,0,0]=3 63 B8R1.18 Cc1nn(c(n1)N)C 1P01A7DD [0,0,0,0,0,0|3,0,0]=3 64 B8R1.18 Cc1oc(=O)oc1C 1P003KYY [0,0,0,0,0,0|2,0,0]=2 65 B8R1.18 Cc1oc(c(c1)S)C 1P003GGM [0,0,0,0,0,0|2,0,0]=2 66 B8R1.18 Cc1oc(c(n1)C)Br 1P00AO3C [0,0,0,0,0,0|1,0,0]=1 67 B8R1.18 Cc1oc(c(n1)C)C 1P002J26 [0,0,0,0,0,0|0,0,0]=0 68 B8R1.18 Cc1sc(c(c1)Br)Br 1P027YNY [0,0,0,0,0,0|3,1,0]=4 69 B8R1.18 Cc1sc(c(c1)Br)C 1P007IW4 [0,0,0,0,0,0|2,1,0]=3 70 B8R1.18 Cc1sc(c(c1)C)Br 1P00AOIX [0,0,0,0,0,0|2,1,0]=3 71 B8R1.18 Cc1sc(c(c1)C)C 1P0027I0 [0,0,0,0,0,0|1,1,0]=2 72 B8R1.18 Cc1sc(c(c1)C)S 1P01C7O2 [0,0,0,0,0,0|2,1,0]=3 73 B8R1.18 Cc1sc(c(c1)I)C 1P0074HW [0,0,0,0,0,0|2,1,0]=3 74 B8R1.18 Cc1sc(c(c1)N)C 1P01EIGM [0,0,0,0,0,0|2,1,0]=3 75 B8R1.18 Cc1sc(c(c1)S)C 1P0201CP [0,0,0,0,0,0|2,1,0]=3 76 B8R1.18 Cc1sc(c(n1)Br)C 1P00IGPX [0,0,0,0,0,0|1,1,0]=2 77 B8R1.18 Cc1sc(c(n1)C)Br 1P002WA1 [0,0,0,0,0,0|1,1,0]=2 78 B8R1.18 Cc1sc(c(n1)C)C 1P003BKT [0,0,0,0,0,0|0,1,0]=1 79 B8R1.18 Cc1sc(c(n1)C)N 1P00G5DE [0,0,0,0,0,0|1,1,0]=2 80 B8R1.18 Cc1sc(c(n1)C)N 1P01BJU5 [0,0,0,0,0,0|1,1,0]=2 81 B8R1.18 Cc1sc(c(n1)I)C 1P027XKD [0,0,0,0,0,0|1,1,0]=2 82 B8R1.18 ClC1OC(=O)C(=C1)C 1P01JG5D [0,0,0,0,0,0|3,0,1]=4 83 B8R1.18 Clc1[nH]c(c(n1)C)C 1P00HAX4 [0,0,0,0,0,0|2,0,0]=2 84 B8R1.18 Clc1cc(c(s1)C)Br 1P01XCER [0,0,0,0,0,0|3,1,0]=4 85 B8R1.18 Clc1nc(c(o1)C)I 1P02936H [0,0,0,0,0,0|2,0,0]=2 86 B8R1.18 Clc1nc(c(s1)C)Br 1P01EHU2 [0,0,0,0,0,0|2,1,0]=3 87 B8R1.18 Clc1nc(c(s1)I)Br 1P02839J [0,0,0,0,0,0|3,1,0]=4 88 B8R1.18 Clc1nc(c(s1)I)C 1P028V79 [0,0,0,0,0,0|2,1,0]=3 89 B8R1.18 Clc1nc(n(n1)C)Cl 1P00J2UB [0,0,0,0,0,0|4,0,0]=4 90 B8R1.18 Clc1nn(c(c1)C)C 1P00E2G0 [0,0,0,0,0,0|3,0,0]=3 91 B8R1.18 Clc1nn(c(c1)N)C 1P01FLUO [0,0,0,0,0,0|4,0,0]=4 92 B8R1.18 Clc1nn(c(n1)C)C 1P00F0NE [0,0,0,0,0,0|3,0,0]=3 93 B8R1.18 Clc1nn(c(n1)N)C 1P00J2UC [0,0,0,0,0,0|4,0,0]=4 94 B8R1.18 Clc1nn(c(n1)N)C 1P0289CI [0,0,0,0,0,0|4,0,0]=4 95 B8R1.18 Clc1oc(c(n1)C)C 1P028JBS [0,0,0,0,0,0|1,0,0]=1 96 B8R1.18 Clc1sc(c(c1)C)Cl 1P003GDQ [0,0,0,0,0,0|3,1,0]=4 97 B8R1.18 Clc1sc(c(n1)Br)Br 1P028YWN [0,0,0,0,0,0|3,1,0]=4 98 B8R1.18 Clc1sc(c(n1)Br)Cl 1P028YJD [0,0,0,0,0,0|3,1,0]=4 99 B8R1.18 Clc1sc(c(n1)C)C 1P00EKTP [0,0,0,0,0,0|1,1,0]=2 100 B8R1.18 Clc1sc(c(n1)Cl)Br 1P02826A [0,0,0,0,0,0|3,1,0]=4 101 B8R1.18 Clc1sc(c(n1)Cl)C 1P0085K0 [0,0,0,0,0,0|2,1,0]=3 102 B8R1.18 Clc1sc(c(n1)Cl)Cl 1P006W5R [0,0,0,0,0,0|3,1,0]=4 103 B8R1.18 Clc1sc(c(n1)Cl)I 1P02841Z [0,0,0,0,0,0|3,1,0]=4 104 B8R1.18 Clc1sc(c(n1)I)Cl 1P027YHJ [0,0,0,0,0,0|3,1,0]=4 105 B8R1.18 Cn1cc(c(n1)Br)C 1P0013RS [0,0,0,0,0,0|3,0,0]=3 106 B8R1.18 Cn1cc(c(n1)Br)F 1P01JUX6 [0,0,0,0,0,0|4,0,0]=4 107 B8R1.18 Cn1cc(c(n1)Br)I 1P01ELUJ [0,0,0,0,0,0|4,0,0]=4 108 B8R1.18 Cn1cc(c(n1)Br)N 1P01B2UW [0,0,0,0,0,0|4,0,0]=4 109 B8R1.18 Cn1cc(c(n1)C)Br 1P0034DQ [0,0,0,0,0,0|3,0,0]=3 110 B8R1.18 Cn1cc(c(n1)C)Br 1P01AV8V [0,0,0,0,0,0|3,0,0]=3 111 B8R1.18 Cn1cc(c(n1)C)Cl 1P001RBT [0,0,0,0,0,0|3,0,0]=3 112 B8R1.18 Cn1cc(c(n1)C)I 1P00FGTF [0,0,0,0,0,0|3,0,0]=3 113 B8R1.18 Cn1cc(c(n1)C)N 1P000FKM [0,0,0,0,0,0|3,0,0]=3 114 B8R1.18 Cn1cc(c(n1)C)N 1P002B95 [0,0,0,0,0,0|3,0,0]=3 115 B8R1.18 Cn1cc(c(n1)C)N 1P00EAL2 [0,0,0,0,0,0|3,0,0]=3 116 B8R1.18 Cn1cc(c(n1)C)O 1P00IEAZ [0,0,0,0,0,0|3,0,0]=3 117 B8R1.18 Cn1cc(c(n1)C)S 1P01XIDW [0,0,0,0,0,0|3,0,0]=3 118 B8R1.18 Cn1cc(c(n1)Cl)N 1P00AC38 [0,0,0,0,0,0|4,0,0]=4 119 B8R1.18 Cn1cc(c(n1)Cl)N 1P028D75 [0,0,0,0,0,0|4,0,0]=4 120 B8R1.18 Cn1cc(c(n1)F)Br 1P0026KL [0,0,0,0,0,0|4,0,0]=4 121 B8R1.18 Cn1cc(c(n1)F)N 1P0288AB [0,0,0,0,0,0|4,0,0]=4 122 B8R1.18 Cn1cc(c(n1)F)N 1P028KE8 [0,0,0,0,0,0|4,0,0]=4 123 B8R1.18 Cn1cc(c(n1)I)Br 1P01BCBG [0,0,0,0,0,0|4,0,0]=4 124 B8R1.18 Cn1cc(c(n1)I)C 1P001BNS [0,0,0,0,0,0|3,0,0]=3 125 B8R1.18 Cn1cc(c(n1)N)Br 1P001EXO [0,0,0,0,0,0|4,0,0]=4 126 B8R1.18 Cn1cc(c(n1)N)C 1P00G5FI [0,0,0,0,0,0|3,0,0]=3 127 B8R1.18 Cn1cc(c(n1)N)C 1P01B7IB [0,0,0,0,0,0|3,0,0]=3 128 B8R1.18 Cn1cc(c(n1)N)Cl 1P0002ZT [0,0,0,0,0,0|4,0,0]=4 129 B8R1.18 Cn1cc(c(n1)N)I 1P01AP4N [0,0,0,0,0,0|4,0,0]=4 130 B8R1.18 Cn1cc(c(n1)O)C 1P028Z4Z [0,0,0,0,0,0|3,0,0]=3 131 B8R1.18 Cn1cc(c(n1)O)I 1P023JA1 [0,0,0,0,0,0|4,0,0]=4 132 B8R1.18 Cn1cc(c(n1)O)N 1P028XVF [0,0,0,0,0,0|4,0,0]=4 133 B8R1.18 Cn1cc(c(n1)O)N 1P028YVQ [0,0,0,0,0,0|4,0,0]=4 134 B8R1.18 Cn1nc([nH]c1=O)Cl 1P00C2ET [0,0,0,0,0,0|4,0,0]=4 135 B8R1.18 Cn1nc(c(c1)Br)Br 1P003XZM [0,0,0,0,0,0|4,0,0]=4 136 B8R1.18 Cn1nc(c(c1)N)N 1P00J2XI [0,0,0,0,0,0|4,0,0]=4 137 B8R1.18 Cn1nc(c(n1)C)Br 1P006P2K [0,0,0,0,0,0|3,0,0]=3 138 B8R1.18 Cn1nc(c(n1)Cl)Br 1P02924L [0,0,0,0,0,0|4,0,0]=4 139 B8R1.18 Cn1nc(c(n1)N)Br 1P0282UQ [0,0,0,0,0,0|4,0,0]=4 140 B8R1.18 Cn1nc(c(n1)N)O 1P0280TV [0,0,0,0,0,0|4,0,0]=4 141 B8R1.18 Cn1nc(sc1=O)N 1P004S7K [0,0,0,0,0,0|3,1,0]=4 142 B8R1.18 Cn1oc(=O)cc1N 1P007DD6 [0,0,0,0,0,0|4,0,0]=4 143 B8R1.18 Fc1nc(c(s1)Br)C 1P0282U9 [0,0,0,0,0,0|2,1,0]=3 144 B8R1.18 Fc1nn(c(c1)Br)C 1P00PQMW [0,0,0,0,0,0|4,0,0]=4 145 B8R1.18 Ic1[nH]c(c(n1)C)I 1P001M8W [0,0,0,0,0,0|3,0,0]=3 146 B8R1.18 Ic1[nH]c(c(n1)I)I 1P00209P [0,0,0,0,0,0|4,0,0]=4 147 B8R1.18 Ic1cn(c(n1)C)C 1P003BBR [0,0,0,0,0,0|3,0,0]=3 148 B8R1.18 Ic1nc(n(c1)C)I 1P01EDCW [0,0,0,0,0,0|4,0,0]=4 149 B8R1.18 Ic1nn(c(c1)Br)C 1P027ZED [0,0,0,0,0,0|4,0,0]=4 150 B8R1.18 Ic1nn(c(c1)C)C 1P019YVL [0,0,0,0,0,0|3,0,0]=3 151 B8R1.18 Ic1nn(c(c1)F)C 1P00HZ6V [0,0,0,0,0,0|4,0,0]=4 152 B8R1.18 Ic1nn(c(c1)N)C 1P02837A [0,0,0,0,0,0|4,0,0]=4 153 B8R1.18 Ic1nn(nc1I)C 1P01JWFZ [0,0,0,0,0,0|4,0,0]=4 154 B8R1.18 Ic1oc(c(n1)I)C 1P028ZVU [0,0,0,0,0,0|2,0,0]=2 155 B8R1.18 Ic1oc(c(n1)I)I 1P028BSC [0,0,0,0,0,0|3,0,0]=3 156 B8R1.18 Ic1sc(c(c1)C)C 1P028YU4 [0,0,0,0,0,0|2,1,0]=3 157 B8R1.18 Ic1sc(c(n1)C)C 1P028FO5 [0,0,0,0,0,0|1,1,0]=2 158 B8R1.18 NC1=NC(=O)C(S1)C 1P00J7V7 [0,0,0,0,0,0|2,1,1]=4 159 B8R1.18 NC1=NC(=O)N(C1)C 1P019YTD [0,0,0,0,0,0|4,0,0]=4 160 B8R1.18 NC1=NN(C(C1)C)C 1P01A4QM [0,0,0,0,0,0|3,0,1]=4 161 B8R1.18 Nc1[nH]c(c(n1)C)C 1P0018DI [0,0,0,0,0,0|2,0,0]=2 162 B8R1.18 Nc1[nH]c(c(n1)C)C 1P00AKKE [0,0,0,0,0,0|2,0,0]=2 163 B8R1.18 Nc1cc(n(n1)C)N 1P01FJDB [0,0,0,0,0,0|4,0,0]=4 164 B8R1.18 Nc1nc(c(s1)Br)C 1P00309T [0,0,0,0,0,0|2,1,0]=3 165 B8R1.18 Nc1nc(c(s1)Br)C 1P0072MF [0,0,0,0,0,0|2,1,0]=3 166 B8R1.18 Nc1nc(c(s1)C)Br 1P003ATH [0,0,0,0,0,0|2,1,0]=3 167 B8R1.18 Nc1nc(c(s1)C)O 1P00A8UL [0,0,0,0,0,0|2,1,0]=3 168 B8R1.18 Nc1nc(c(s1)Cl)C 1P00COUI [0,0,0,0,0,0|2,1,0]=3 169 B8R1.18 Nc1nc(c(s1)Cl)C 1P00D8GN [0,0,0,0,0,0|2,1,0]=3 170 B8R1.18 Nc1nc(c(s1)F)C 1P01A3DQ [0,0,0,0,0,0|2,1,0]=3 171 B8R1.18 Nc1nc(c(s1)I)C 1P01C47U [0,0,0,0,0,0|2,1,0]=3 172 B8R1.18 Nc1nc(n(n1)C)N 1P00C2K7 [0,0,0,0,0,0|4,0,0]=4 173 B8R1.18 Nc1nn(c(c1)Br)C 1P0036QL [0,0,0,0,0,0|4,0,0]=4 174 B8R1.18 Nc1nn(c(c1)Br)C 1P028RV7 [0,0,0,0,0,0|4,0,0]=4 175 B8R1.18 Nc1nn(c(c1)C)C 1P0038HW [0,0,0,0,0,0|3,0,0]=3 176 B8R1.18 Nc1nn(c(c1)Cl)C 1P000IPR [0,0,0,0,0,0|4,0,0]=4 177 B8R1.18 Nc1nn(c(c1)F)C 1P020JW0 [0,0,0,0,0,0|4,0,0]=4 178 B8R1.18 Nc1nn(c(c1)O)C 1P00DIIP [0,0,0,0,0,0|4,0,0]=4 179 B8R1.18 Nc1nn(c(n1)Br)C 1P01DRHM [0,0,0,0,0,0|4,0,0]=4 180 B8R1.18 Nc1nn(c(n1)C)C 1P00C67R [0,0,0,0,0,0|3,0,0]=3 181 B8R1.18 Nc1nn(c(n1)Cl)C 1P02918M [0,0,0,0,0,0|4,0,0]=4 182 B8R1.18 Nc1oc(c(n1)C)C 1P00DL9F [0,0,0,0,0,0|1,0,0]=1 183 B8R1.18 Nc1oc(c(n1)C)C 1P00J2FK [0,0,0,0,0,0|1,0,0]=1 184 B8R1.18 Nc1sc(c(n1)C)C 1P002LTZ [0,0,0,0,0,0|1,1,0]=2 185 B8R1.18 Nc1sc(c(n1)C)C 1P003GV7 [0,0,0,0,0,0|1,1,0]=2 186 B8R1.18 Nc1sc(c(n1)C)C 1P0065AC [0,0,0,0,0,0|1,1,0]=2 187 B8R1.18 O=C1C=C(C(=O)N1)C 1P009RCV [0,0,0,0,0,0|3,0,1]=4 188 B8R1.18 O=C1C=C(C(=O)O1)Br 1P00ED1C [0,0,0,0,0,0|4,0,0]=4 189 B8R1.18 O=C1C=C(C(=O)O1)C 1P003530 [0,0,0,0,0,0|3,0,0]=3 190 B8R1.18 O=C1C=C(C(C1)C)C 1P0030KJ [0,0,0,0,0,0|3,0,1]=4 191 B8R1.18 O=C1C=C(C(O1)O)C 1P0037PL [0,0,0,0,0,0|3,0,1]=4 192 B8R1.18 O=C1CC(C(=O)O1)C 1P003SL0 [0,0,0,0,0,0|3,0,1]=4 193 B8R1.18 O=C1CN(C(=O)O1)C 1P00EFNL [0,0,0,0,0,0|4,0,0]=4 194 B8R1.18 O=C1C[C@@H](C(=O)O1)C 1P01BW3S [0,0,0,0,0,0|3,0,1]=4 195 B8R1.18 O=C1N=C(C(N1)C)N 1P01BAXV [0,0,0,0,0,0|3,0,1]=4 196 B8R1.18 O=C1N=C(N(C1)C)N 1P002GA0 [0,0,0,0,0,0|4,0,0]=4 197 B8R1.18 O=C1N[C@@H](C(=O)O1)C 1P00DAN2 [0,0,0,0,0,0|2,0,2]=4 198 B8R1.18 O=C1N[C@H](C(=O)O1)C 1P0032XZ [0,0,0,0,0,0|2,0,2]=4 199 B8R1.18 O=C1OC(=O)C(=C)C1 1P0035J5 [0,0,0,0,0,0|3,0,1]=4 200 B8R1.18 O=C1OC(C(=O)N1)C 1P002V5Z [0,0,0,0,0,0|2,0,2]=4 201 B8R1.18 O=c1[nH]c(c(o1)C)C 1P00J30T [0,0,0,0,0,0|1,0,1]=2 202 B8R1.18 O=c1[nH]c(c(s1)C)C 1P01DUSE [0,0,0,0,0,0|1,1,1]=3 203 B8R1.18 O=c1[nH]n(c(c1)C)C 1P00CVUD [0,0,0,0,0,0|3,0,1]=4 204 B8R1.18 O=c1[nH]n(c(c1)C)C 1P01FMB6 [0,0,0,0,0,0|3,0,1]=4 205 B8R1.18 OC1OC(=O)C(=C1)C 1P01BXVO [0,0,0,0,0,0|3,0,1]=4 206 B8R1.18 Oc1nn(c(c1)Cl)C 1P028FP9 [0,0,0,0,0,0|4,0,0]=4 207 B8R1.18 Oc1nn(c(c1)N)C 1P00IE8P [0,0,0,0,0,0|4,0,0]=4 208 B8R1.18 S=c1[nH]c(c(s1)C)C 1P0037RJ [0,0,0,0,0,0|1,1,1]=3 209 B8R1.18 Sc1oc(c(n1)C)C 1P00FQ17 [0,0,0,0,0,0|1,0,0]=1 210 B7R1.2 Brc1ccc(o1)Br 1P0033GQ [1,0,0,0,0,0|3,0,0]=4 211 B7R1.2 Brc1cnc([nH]1)C 1P001TQX [1,0,0,0,0,0|2,0,0]=3 212 B7R1.2 Brc1cnc([nH]1)I 1P0240J1 [1,0,0,0,0,0|3,0,0]=4 213 B7R1.2 Brc1cnc(o1)C 1P01AD3O [1,0,0,0,0,0|1,0,0]=2 214 B7R1.2 Brc1cnc(s1)C 1P003MYG [1,0,0,0,0,0|1,1,0]=3 215 B7R1.2 Brc1cnc(s1)Cl 1P00309U [1,0,0,0,0,0|2,1,0]=4 216 B7R1.2 Brc1cnc(s1)I 1P0094WD [1,0,0,0,0,0|2,1,0]=4 217 B7R1.2 Brc1cnc(s1)N 1P000PRN [1,0,0,0,0,0|2,1,0]=4 218 B7R1.2 Brc1cnc(s1)N 1P007NH8 [1,0,0,0,0,0|2,1,0]=4 219 B7R1.2 Brc1cnc(s1)N 1P00IBAQ [1,0,0,0,0,0|2,1,0]=4 220 B7R1.2 Brc1csc(c1)C 1P002YT6 [1,0,0,0,0,0|2,1,0]=4 221 B7R1.2 Brc1csc(n1)C 1P003LDZ [1,0,0,0,0,0|1,1,0]=3 222 B7R1.2 Brc1csc(n1)Cl 1P00GUSG [1,0,0,0,0,0|2,1,0]=4 223 B7R1.2 Brc1csc(n1)F 1P0095MV [1,0,0,0,0,0|2,1,0]=4 224 B7R1.2 Brc1csc(n1)N 1P0034FG [1,0,0,0,0,0|2,1,0]=4 225 B7R1.2 Brc1csc(n1)O 1P00953P [1,0,0,0,0,0|2,1,0]=4 226 B7R1.2 Brc1n[nH]c(c1)C 1P00EISV [1,0,0,0,0,0|3,0,0]=4 227 B7R1.2 Brc1ncc([nH]1)Br 1P00390Z [1,0,0,0,0,0|3,0,0]=4 228 B7R1.2 Brc1ncc(s1)Br 1P00BYXF [1,0,0,0,0,0|2,1,0]=4 229 B7R1.2 Brc1noc(c1)C 1P003871 [1,0,0,0,0,0|3,0,0]=4 230 B7R1.2 Brc1noc(n1)C 1P009ED9 [1,0,0,0,0,0|2,0,0]=3 231 B7R1.2 Brc1nsc(n1)C 1P01BYEV [1,0,0,0,0,0|2,1,0]=4 232 B7R1.2 Brc1occ(n1)Br 1P020MM0 [1,0,0,0,0,0|2,0,0]=3 233 B7R1.2 Brc1scc(n1)Br 1P0033FI [1,0,0,0,0,0|2,1,0]=4 234 B7R1.2 CC1=CC(=O)N=N1 1P01HFI0 [1,0,0,0,0,0|3,0,0]=4 235 B7R1.2 CC1=CC(=O)OC1 1P003M8M [1,0,0,0,0,0|2,0,1]=4 236 B7R1.2 CC1=CCC(=O)O1 1P001512 [1,0,0,0,0,0|2,0,0]=3 237 B7R1.2 CC1=NN=C(C1)C 1P019FB2 [1,0,0,0,0,0|2,0,0]=3 238 B7R1.2 CC1=NN=C(C1)N 1P0008X3 [1,0,0,0,0,0|3,0,0]=4 239 B7R1.2 CC1C=CC(=O)O1 1P0034RE [1,0,0,0,0,0|2,0,1]=4 240 B7R1.2 CC1CN=C(O1)N 1P00G05Q [1,0,0,0,0,0|1,0,2]=4 241 B7R1.2 CC1COC(=N1)N 1P00G05P [1,0,0,0,0,0|1,0,2]=4 242 B7R1.2 CN1N=CC(=C1)S 1P01FWVE [1,0,0,0,0,0|3,0,0]=4 243 B7R1.2 Cc1[nH][nH]c(=S)n1 1P005FZ2 [1,0,0,0,0,0|3,0,0]=4 244 B7R1.2 Cc1[nH]cc(c1)C 1P0036EO [1,0,0,0,0,0|1,0,1]=3 245 B7R1.2 Cc1[nH]cc(n1)C 1P0033GF [1,0,0,0,0,0|1,0,0]=2 246 B7R1.2 Cc1[nH]nc(c1)C 1P00340B [1,0,0,0,0,0|2,0,0]=3 247 B7R1.2 Cc1c[nH]c(=O)[nH]1 1P000ITB [1,0,0,0,0,0|2,0,1]=4 248 B7R1.2 Cc1c[nH]c(=O)s1 1P005LJG [1,0,0,0,0,0|1,1,1]=4 249 B7R1.2 Cc1c[nH]c(n1)Br 1P028WVE [1,0,0,0,0,0|2,0,0]=3 250 B7R1.2 Cc1c[nH]c(n1)I 1P00FDDF [1,0,0,0,0,0|2,0,0]=3 251 B7R1.2 Cc1c[nH]c(n1)N 1P00FB1G [1,0,0,0,0,0|2,0,0]=3 252 B7R1.2 Cc1c[nH]c(n1)S 1P007G57 [1,0,0,0,0,0|2,0,0]=3 253 B7R1.2 Cc1cc(=O)[nH]o1 1P00013U [1,0,0,0,0,0|3,0,0]=4 254 B7R1.2 Cc1ccc([nH]1)C 1P0033H9 [1,0,0,0,0,0|1,0,1]=3 255 B7R1.2 Cc1ccc(o1)Br 1P000LMO [1,0,0,0,0,0|2,0,0]=3 256 B7R1.2 Cc1ccc(o1)C 1P00IBHV [1,0,0,0,0,0|1,0,0]=2 257 B7R1.2 Cc1ccc(s1)Br 1P003H6V [1,0,0,0,0,0|2,1,0]=4 258 B7R1.2 Cc1ccc(s1)C 1P0037FV [1,0,0,0,0,0|1,1,0]=3 259 B7R1.2 Cc1ccc(s1)Cl 1P003BNY [1,0,0,0,0,0|2,1,0]=4 260 B7R1.2 Cc1ccc(s1)I 1P001VNL [1,0,0,0,0,0|2,1,0]=4 261 B7R1.2 Cc1ccc(s1)O 1P01DWX2 [1,0,0,0,0,0|2,1,0]=4 262 B7R1.2 Cc1ccc(s1)S 1P00D0KV [1,0,0,0,0,0|2,1,0]=4 263 B7R1.2 Cc1ccn(c1)C 1P01BKQP [1,0,0,0,0,0|3,0,0]=4 264 B7R1.2 Cc1ccn(n1)C 1P00332M [1,0,0,0,0,0|2,0,0]=3 265 B7R1.2 Cc1cnc([nH]1)Br 1P002NCF [1,0,0,0,0,0|2,0,0]=3 266 B7R1.2 Cc1cnc([nH]1)Cl 1P01ZYD1 [1,0,0,0,0,0|2,0,0]=3 267 B7R1.2 Cc1cnc([nH]1)N 1P008U4V [1,0,0,0,0,0|2,0,0]=3 268 B7R1.2 Cc1cnc(o1)Br 1P009D83 [1,0,0,0,0,0|1,0,0]=2 269 B7R1.2 Cc1cnc(o1)Cl 1P01EIR2 [1,0,0,0,0,0|1,0,0]=2 270 B7R1.2 Cc1cnc(o1)I 1P027TXE [1,0,0,0,0,0|1,0,0]=2 271 B7R1.2 Cc1cnc(o1)N 1P003846 [1,0,0,0,0,0|1,0,0]=2 272 B7R1.2 Cc1cnc(s1)Br 1P0033ML [1,0,0,0,0,0|1,1,0]=3 273 B7R1.2 Cc1cnc(s1)Cl 1P00I6ZQ [1,0,0,0,0,0|1,1,0]=3 274 B7R1.2 Cc1cnc(s1)F 1P003AHM [1,0,0,0,0,0|1,1,0]=3 275 B7R1.2 Cc1cnc(s1)I 1P00G9TC [1,0,0,0,0,0|1,1,0]=3 276 B7R1.2 Cc1cnc(s1)N 1P003GY4 [1,0,0,0,0,0|1,1,0]=3 277 B7R1.2 Cc1cnc(s1)N 1P01D9HV [1,0,0,0,0,0|1,1,0]=3 278 B7R1.2 Cc1cnn(c1)C 1P003E5J [1,0,0,0,0,0|2,0,0]=3 279 B7R1.2 Cc1coc(=S)[nH]1 1P000UJM [1,0,0,0,0,0|1,0,1]=3 280 B7R1.2 Cc1coc(n1)Br 1P0090WY [1,0,0,0,0,0|1,0,0]=2 281 B7R1.2 Cc1coc(n1)Br 1P01B9KK [1,0,0,0,0,0|1,0,0]=2 282 B7R1.2 Cc1coc(n1)Cl 1P027ZTX [1,0,0,0,0,0|1,0,0]=2 283 B7R1.2 Cc1coc(n1)I 1P01DW1G [1,0,0,0,0,0|1,0,0]=2 284 B7R1.2 Cc1coc(n1)N 1P00I7J9 [1,0,0,0,0,0|1,0,0]=2 285 B7R1.2 Cc1csc(=O)[nH]1 1P00CLWY [1,0,0,0,0,0|1,1,1]=4 286 B7R1.2 Cc1csc(=S)[nH]1 1P003M9I [1,0,0,0,0,0|1,1,1]=4 287 B7R1.2 Cc1csc(c1)Br 1P00DIEK [1,0,0,0,0,0|2,1,0]=4 288 B7R1.2 Cc1csc(c1)N 1P001FKH [1,0,0,0,0,0|2,1,0]=4 289 B7R1.2 Cc1csc(c1)N 1P00H1HI [1,0,0,0,0,0|2,1,0]=4 290 B7R1.2 Cc1csc(c1)S 1P01BJTY [1,0,0,0,0,0|2,1,0]=4 291 B7R1.2 Cc1csc(n1)Br 1P005IFO [1,0,0,0,0,0|1,1,0]=3 292 B7R1.2 Cc1csc(n1)Cl 1P00387L [1,0,0,0,0,0|1,1,0]=3 293 B7R1.2 Cc1csc(n1)I 1P00CLZN [1,0,0,0,0,0|1,1,0]=3 294 B7R1.2 Cc1csc(n1)N 1P001SAV [1,0,0,0,0,0|1,1,0]=3 295 B7R1.2 Cc1csc(n1)N 1P003GWA [1,0,0,0,0,0|1,1,0]=3 296 B7R1.2 Cc1csc(n1)S 1P00EKE6 [1,0,0,0,0,0|1,1,0]=3 297 B7R1.2 Cc1n[nH]c(=O)o1 1P00385H [1,0,0,0,0,0|2,0,0]=3 298 B7R1.2 Cc1n[nH]c(=O)s1 1P008IX1 [1,0,0,0,0,0|2,1,0]=4 299 B7R1.2 Cc1n[nH]c(c1)Br 1P00EISX [1,0,0,0,0,0|3,0,0]=4 300 B7R1.2 Cc1n[nH]c(c1)N 1P00I5JL [1,0,0,0,0,0|3,0,0]=4 301 B7R1.2 Cc1n[nH]c(c1)O 1P0011IB [1,0,0,0,0,0|3,0,0]=4 302 B7R1.2 Cc1n[nH]c(n1)Br 1P002U5W [1,0,0,0,0,0|3,0,0]=4 303 B7R1.2 Cc1n[nH]c(n1)N 1P002NE8 [1,0,0,0,0,0|3,0,0]=4 304 B7R1.2 Cc1n[nH]c(n1)N 1P00J7SY [1,0,0,0,0,0|3,0,0]=4 305 B7R1.2 Cc1ncc(o1)C 1P002MBO [1,0,0,0,0,0|0,0,0]=1 306 B7R1.2 Cc1ncc(s1)C 1P0038D4 [1,0,0,0,0,0|0,1,0]=2 307 B7R1.2 Cc1nnc([nH]1)C 1P003J51 [1,0,0,0,0,0|2,0,0]=3 308 B7R1.2 Cc1nnc([nH]1)N 1P0039N2 [1,0,0,0,0,0|3,0,0]=4 309 B7R1.2 Cc1nnc([nH]1)O 1P00IHWV [1,0,0,0,0,0|3,0,0]=4 310 B7R1.2 Cc1nnc(o1)Br 1P004R6D [1,0,0,0,0,0|2,0,0]=3 311 B7R1.2 Cc1nnc(o1)C 1P000WQP [1,0,0,0,0,0|1,0,0]=2 312 B7R1.2 Cc1nnc(o1)Cl 1P01B86E [1,0,0,0,0,0|2,0,0]=3 313 B7R1.2 Cc1nnc(o1)I 1P01BI7M [1,0,0,0,0,0|2,0,0]=3 314 B7R1.2 Cc1nnc(o1)N 1P00D9EM [1,0,0,0,0,0|2,0,0]=3 315 B7R1.2 Cc1nnc(o1)S 1P00BXBM [1,0,0,0,0,0|2,0,0]=3 316 B7R1.2 Cc1nnc(s1)Br 1P00D9DA [1,0,0,0,0,0|2,1,0]=4 317 B7R1.2 Cc1nnc(s1)C 1P003GFU [1,0,0,0,0,0|1,1,0]=3 318 B7R1.2 Cc1nnc(s1)Cl 1P00E45W [1,0,0,0,0,0|2,1,0]=4 319 B7R1.2 Cc1nnc(s1)N 1P00845C [1,0,0,0,0,0|2,1,0]=4 320 B7R1.2 Cc1nnc(s1)S 1P00I5X9 [1,0,0,0,0,0|2,1,0]=4 321 B7R1.2 Cc1nnn(c1)C 1P00ELFO [1,0,0,0,0,0|3,0,0]=4 322 B7R1.2 Cc1nnn(n1)C 1P00CVEZ [1,0,0,0,0,0|3,0,0]=4 323 B7R1.2 Cc1noc(c1)Br 1P000T5G [1,0,0,0,0,0|3,0,0]=4 324 B7R1.2 Cc1noc(c1)Cl 1P01A225 [1,0,0,0,0,0|3,0,0]=4 325 B7R1.2 Cc1noc(c1)I 1P000RWK [1,0,0,0,0,0|3,0,0]=4 326 B7R1.2 Cc1noc(c1)N 1P001ES3 [1,0,0,0,0,0|3,0,0]=4 327 B7R1.2 Cc1noc(c1)O 1P019SLV [1,0,0,0,0,0|3,0,0]=4 328 B7R1.2 Cc1noc(n1)Br 1P00J2OG [1,0,0,0,0,0|2,0,0]=3 329 B7R1.2 Cc1noc(n1)N 1P0038EI [1,0,0,0,0,0|2,0,0]=3 330 B7R1.2 Cc1noc(n1)O 1P00E2TD [1,0,0,0,0,0|2,0,0]=3 331 B7R1.2 Cc1noc(n1)S 1P01AA9M [1,0,0,0,0,0|2,0,0]=3 332 B7R1.2 Cc1nsc(=O)o1 1P01A4NH [1,0,0,0,0,0|2,0,0]=3 333 B7R1.2 Cc1nsc(c1)Br 1P002A8D [1,0,0,0,0,0|3,0,0]=4 334 B7R1.2 Cc1nsc(c1)Cl 1P00C1RP [1,0,0,0,0,0|3,0,0]=4 335 B7R1.2 Cc1nsc(c1)I 1P00BGK5 [1,0,0,0,0,0|3,0,0]=4 336 B7R1.2 Cc1nsc(c1)N 1P003A0Z [1,0,0,0,0,0|3,0,0]=4 337 B7R1.2 Cc1nsc(c1)N 1P006WQP [1,0,0,0,0,0|3,0,0]=4 338 B7R1.2 Cc1nsc(n1)Br 1P00394D [1,0,0,0,0,0|2,1,0]=4 339 B7R1.2 Cc1nsc(n1)Cl 1P00C1RX [1,0,0,0,0,0|2,1,0]=4 340 B7R1.2 Cc1nsc(n1)N 1P0020BM [1,0,0,0,0,0|2,1,0]=4 341 B7R1.2 Cc1occ(c1)C 1P00CVZ8 [1,0,0,0,0,0|1,0,0]=2 342 B7R1.2 Cc1occ(n1)C 1P003GB6 [1,0,0,0,0,0|0,0,0]=1 343 B7R1.2 Cc1onc(c1)C 1P003J5N [1,0,0,0,0,0|2,0,0]=3 344 B7R1.2 Cc1scc(c1)C 1P00E9VH [1,0,0,0,0,0|1,1,0]=3 345 B7R1.2 Cc1scc(n1)C 1P0037JU [1,0,0,0,0,0|0,1,0]=2 346 B7R1.2 Clc1cnc(s1)Br 1P00AMFV [1,0,0,0,0,0|2,1,0]=4 347 B7R1.2 Clc1cnc(s1)C 1P01BBPJ [1,0,0,0,0,0|1,1,0]=3 348 B7R1.2 Clc1cnc(s1)F 1P0291R4 [1,0,0,0,0,0|2,1,0]=4 349 B7R1.2 Clc1cnc(s1)N 1P003GXI [1,0,0,0,0,0|2,1,0]=4 350 B7R1.2 Clc1csc(n1)Br 1P001BXK [1,0,0,0,0,0|2,1,0]=4 351 B7R1.2 Clc1csc(n1)F 1P00E7UA [1,0,0,0,0,0|2,1,0]=4 352 B7R1.2 Clc1csc(n1)N 1P003LP8 [1,0,0,0,0,0|2,1,0]=4 353 B7R1.2 Clc1n[nH]c(c1)C 1P001RM2 [1,0,0,0,0,0|3,0,0]=4 354 B7R1.2 Clc1n[nH]c(n1)C 1P00ACNK [1,0,0,0,0,0|3,0,0]=4 355 B7R1.2 Clc1n[nH]c(n1)C 1P01A7EB [1,0,0,0,0,0|3,0,0]=4 356 B7R1.2 Clc1ncc([nH]1)Cl 1P0293E4 [1,0,0,0,0,0|3,0,0]=4 357 B7R1.2 Clc1ncc(s1)Cl 1P00ANA1 [1,0,0,0,0,0|2,1,0]=4 358 B7R1.2 Clc1noc(n1)C 1P00HUVW [1,0,0,0,0,0|2,0,0]=3 359 B7R1.2 Clc1scc(n1)Cl 1P003G8G [1,0,0,0,0,0|2,1,0]=4 360 B7R1.2 Cn1cc(cn1)Br 1P001QEF [1,0,0,0,0,0|3,0,0]=4 361 B7R1.2 Cn1cc(cn1)Cl 1P003LIS [1,0,0,0,0,0|3,0,0]=4 362 B7R1.2 Cn1cc(cn1)F 1P01JWK7 [1,0,0,0,0,0|3,0,0]=4 363 B7R1.2 Cn1cc(cn1)I 1P003M0U [1,0,0,0,0,0|3,0,0]=4 364 B7R1.2 Cn1cc(cn1)N 1P000X5K [1,0,0,0,0,0|3,0,0]=4 365 B7R1.2 Cn1cc(cn1)N 1P003L4D [1,0,0,0,0,0|3,0,0]=4 366 B7R1.2 Cn1cc(cn1)O 1P003AKQ [1,0,0,0,0,0|3,0,0]=4 367 B7R1.2 Cn1cc(cn1)O 1P01AFQM [1,0,0,0,0,0|3,0,0]=4 368 B7R1.2 Cn1cc(nc1)Br 1P003LBQ [1,0,0,0,0,0|3,0,0]=4 369 B7R1.2 Cn1cc(nc1)I 1P0034JD [1,0,0,0,0,0|3,0,0]=4 370 B7R1.2 Cn1cc(nc1)N 1P0036FQ [1,0,0,0,0,0|3,0,0]=4 371 B7R1.2 Cn1ccc(n1)Br 1P001NIN [1,0,0,0,0,0|3,0,0]=4 372 B7R1.2 Cn1ccc(n1)Cl 1P00EE7Y [1,0,0,0,0,0|3,0,0]=4 373 B7R1.2 Cn1ccc(n1)F 1P0276L4 [1,0,0,0,0,0|3,0,0]=4 374 B7R1.2 Cn1ccc(n1)I 1P00377H [1,0,0,0,0,0|3,0,0]=4 375 B7R1.2 Cn1ccc(n1)N 1P002F0L [1,0,0,0,0,0|3,0,0]=4 376 B7R1.2 Cn1cn[n+](c1)C 1P003E5E [1,0,0,0,0,0|3,0,0]=4 377 B7R1.2 Cn1cnc(=O)[nH]1 1P01B1NL [1,0,0,0,0,0|3,0,0]=4 378 B7R1.2 Cn1cnc(c1)C 1P00EDBF [1,0,0,0,0,0|2,0,0]=3 379 B7R1.2 Cn1cnc(n1)Br 1P003JGA [1,0,0,0,0,0|3,0,0]=4 380 B7R1.2 Cn1cnc(n1)C 1P028078 [1,0,0,0,0,0|2,0,0]=3 381 B7R1.2 Cn1cnc(n1)Cl 1P00F0NC [1,0,0,0,0,0|3,0,0]=4 382 B7R1.2 Cn1cnc(n1)I 1P01B86Y [1,0,0,0,0,0|3,0,0]=4 383 B7R1.2 Cn1cnc(n1)N 1P00DD98 [1,0,0,0,0,0|3,0,0]=4 384 B7R1.2 Cn1cnc(n1)N 1P00J1G0 [1,0,0,0,0,0|3,0,0]=4 385 B7R1.2 Cn1nc(cn1)Br 1P00AMGX [1,0,0,0,0,0|3,0,0]=4 386 B7R1.2 Cn1nc(cn1)I 1P028JMJ [1,0,0,0,0,0|3,0,0]=4 387 B7R1.2 Cn1nc(cn1)N 1P00GWBG [1,0,0,0,0,0|3,0,0]=4 388 B7R1.2 Cn1nc(cn1)N 1P00J1MZ [1,0,0,0,0,0|3,0,0]=4 389 B7R1.2 Fc1cnc(s1)Br 1P0095WU [1,0,0,0,0,0|2,1,0]=4 390 B7R1.2 Fc1cnc(s1)N 1P005K4Z [1,0,0,0,0,0|2,1,0]=4 391 B7R1.2 Fc1cnc(s1)N 1P006TUC [1,0,0,0,0,0|2,1,0]=4 392 B7R1.2 Ic1cnc([nH]1)C 1P0036ZU [1,0,0,0,0,0|2,0,0]=3 393 B7R1.2 Ic1cnc(o1)C 1P027ZEI [1,0,0,0,0,0|1,0,0]=2 394 B7R1.2 Ic1cnc(s1)Br 1P007VCH [1,0,0,0,0,0|2,1,0]=4 395 B7R1.2 Ic1cnc(s1)C 1P01BK7H [1,0,0,0,0,0|1,1,0]=3 396 B7R1.2 Ic1cnc(s1)Cl 1P020LTQ [1,0,0,0,0,0|2,1,0]=4 397 B7R1.2 Ic1csc(c1)C 1P001VNM [1,0,0,0,0,0|2,1,0]=4 398 B7R1.2 Ic1n[nH]c(c1)C 1P006I46 [1,0,0,0,0,0|3,0,0]=4 399 B7R1.2 Ic1ncc([nH]1)I 1P002G12 [1,0,0,0,0,0|3,0,0]=4 400 B7R1.2 Ic1occ(n1)I 1P003GA3 [1,0,0,0,0,0|2,0,0]=3 401 B7R1.2 Nc1cnc(s1)C 1P00417S [1,0,0,0,0,0|1,1,0]=3 402 B7R1.2 Nc1cnn(c1)C 1P003EXV [1,0,0,0,0,0|3,0,0]=4 403 B7R1.2 Nc1csc(c1)C 1P00BGJR [1,0,0,0,0,0|2,1,0]=4 404 B7R1.2 Nc1csc(n1)Br 1P0038D7 [1,0,0,0,0,0|2,1,0]=4 405 B7R1.2 Nc1csc(n1)C 1P0022AG [1,0,0,0,0,0|1,1,0]=3 406 B7R1.2 Nc1n[nH]c(c1)C 1P00BCWR [1,0,0,0,0,0|3,0,0]=4 407 B7R1.2 Nc1ncn(c1)C 1P0013KD [1,0,0,0,0,0|3,0,0]=4 408 B7R1.2 Nc1noc(c1)C 1P003JDC [1,0,0,0,0,0|3,0,0]=4 409 B7R1.2 Nc1noc(n1)C 1P00C63V [1,0,0,0,0,0|2,0,0]=3 410 B7R1.2 Nc1nsc(c1)C 1P01AMKD [1,0,0,0,0,0|3,0,0]=4 411 B7R1.2 Nc1nsc(n1)C 1P00C4CF [1,0,0,0,0,0|2,1,0]=4 412 B7R1.2 Nc1scc(n1)N 1P00FHHM [1,0,0,0,0,0|2,1,0]=4 413 B7R1.2 O=C1C=CC(=O)O1 1P0035KZ [1,0,0,0,0,0|3,0,0]=4 414 B7R1.2 O=C1C=CC(=O)O1 1P01G8TR [1,0,0,0,0,0|3,0,0]=4 415 B7R1.2 O=C1CC=C(O1)C 1P0035K2 [1,0,0,0,0,0|2,0,0]=3 416 B7R1.2 O=C1CN=C(O1)C 1P002OPR [1,0,0,0,0,0|1,0,1]=3 417 B7R1.2 O=C1COC(=C1)C 1P00CL5L [1,0,0,0,0,0|2,0,1]=4 418 B7R1.2 O=C1COC(=N1)N 1P002696 [1,0,0,0,0,0|2,0,1]=4 419 B7R1.2 O=C1NN=C(C1)C 1P003K70 [1,0,0,0,0,0|3,0,0]=4 420 B7R1.2 Oc1c[nH]c(n1)C 1P0292BX [1,0,0,0,0,0|2,0,0]=3 421 B7R1.2 Oc1csc(n1)N 1P0068D4 [1,0,0,0,0,0|2,1,0]=4 422 B7R1.2 Oc1n[nH]c(c1)C 1P001L0T [1,0,0,0,0,0|3,0,0]=4 423 B7R1.2 Sc1csc(c1)C 1P01Q2WP [1,0,0,0,0,0|2,1,0]=4 424 B7R1.4 Brc1[nH]cnc1Br 1P002MDA [1,0,0,0,0,0|3,0,0]=4 425 B7R1.4 Brc1c[nH]nc1C 1P0018FJ [1,0,0,0,0,0|3,0,0]=4 426 B7R1.4 Brc1ccoc1C 1P004W05 [1,0,0,0,0,0|2,0,0]=3 427 B7R1.4 Brc1ccoc1I 1P01BK7D [1,0,0,0,0,0|3,0,0]=4 428 B7R1.4 Brc1ccsc1C 1P00307X [1,0,0,0,0,0|2,1,0]=4 429 B7R1.4 Brc1cnoc1C 1P00FBVU [1,0,0,0,0,0|3,0,0]=4 430 B7R1.4 Brc1conc1C 1P008Z60 [1,0,0,0,0,0|3,0,0]=4 431 B7R1.4 Brc1csnc1C 1P006JMD [1,0,0,0,0,0|3,0,0]=4 432 B7R1.4 Brc1ncoc1C 1P023P88 [1,0,0,0,0,0|1,0,0]=2 433 B7R1.4 Brc1ncsc1C 1P0010UV [1,0,0,0,0,0|1,1,0]=3 434 B7R1.4 Brc1scnc1Br 1P005MHD [1,0,0,0,0,0|2,1,0]=4 435 B7R1.4 CC1=C(C)CCO1 1P001LLM [1,0,0,0,0,0|1,0,1]=3 436 B7R1.4 CC1=C(C)CNC1 1P025GHU [1,0,0,0,0,0|3,0,0]=4 437 B7R1.4 CN1N=CCC1=O 1P0007PE [1,0,0,0,0,0|3,0,0]=4 438 B7R1.4 Cc1[nH]ccc1C 1P0037Y2 [1,0,0,0,0,0|1,0,1]=3 439 B7R1.4 Cc1[nH]cnc1C 1P002MD8 [1,0,0,0,0,0|1,0,0]=2 440 B7R1.4 Cc1[nH]cnc1C 1P00I9ZF [1,0,0,0,0,0|1,0,0]=2 441 B7R1.4 Cc1[nH]cnc1C 1P00IEBV [1,0,0,0,0,0|1,0,0]=2 442 B7R1.4 Cc1c[nH]cc1C 1P0036WU [1,0,0,0,0,0|3,0,0]=4 443 B7R1.4 Cc1c[nH]nc1Br 1P003ATK [1,0,0,0,0,0|3,0,0]=4 444 B7R1.4 Cc1c[nH]nc1Cl 1P01AN5U [1,0,0,0,0,0|3,0,0]=4 445 B7R1.4 Cc1c[nH]nc1N 1P00JGGO [1,0,0,0,0,0|3,0,0]=4 446 B7R1.4 Cc1c[nH]nc1O 1P00J2YC [1,0,0,0,0,0|3,0,0]=4 447 B7R1.4 Cc1ccsc1Br 1P003H3U [1,0,0,0,0,0|2,1,0]=4 448 B7R1.4 Cc1ccsc1Cl 1P003HCL [1,0,0,0,0,0|2,1,0]=4 449 B7R1.4 Cc1ccsc1I 1P001VNK [1,0,0,0,0,0|2,1,0]=4 450 B7R1.4 Cc1ccsc1S 1P01BKP7 [1,0,0,0,0,0|2,1,0]=4 451 B7R1.4 Cc1cnoc1N 1P00C7EK [1,0,0,0,0,0|3,0,0]=4 452 B7R1.4 Cc1cocc1C 1P002K4Z [1,0,0,0,0,0|3,0,0]=4 453 B7R1.4 Cc1conc1Br 1P027WND [1,0,0,0,0,0|3,0,0]=4 454 B7R1.4 Cc1conc1N 1P0020K6 [1,0,0,0,0,0|3,0,0]=4 455 B7R1.4 Cc1cscc1C 1P00E9CW [1,0,0,0,0,0|3,0,0]=4 456 B7R1.4 Cc1n[nH]cc1C 1P0028XH [1,0,0,0,0,0|2,0,0]=3 457 B7R1.4 Cc1n[nH]cc1C 1P007LJF [1,0,0,0,0,0|2,0,0]=3 458 B7R1.4 Cc1nc[nH]c1Br 1P001QH3 [1,0,0,0,0,0|2,0,0]=3 459 B7R1.4 Cc1nc[nH]c1I 1P001QH4 [1,0,0,0,0,0|2,0,0]=3 460 B7R1.4 Cc1nc[nH]c1N 1P003L6T [1,0,0,0,0,0|2,0,0]=3 461 B7R1.4 Cc1ncoc1Br 1P01B34H [1,0,0,0,0,0|1,0,0]=2 462 B7R1.4 Cc1ncsc1Br 1P0034OT [1,0,0,0,0,0|1,1,0]=3 463 B7R1.4 Cc1ncsc1N 1P00FWA1 [1,0,0,0,0,0|1,1,0]=3 464 B7R1.4 Cc1ncsc1N 1P01B26U [1,0,0,0,0,0|1,1,0]=3 465 B7R1.4 Cc1nn[nH]c1Br 1P0034OS [1,0,0,0,0,0|3,0,0]=4 466 B7R1.4 Cc1nn[nH]c1N 1P01B5US [1,0,0,0,0,0|3,0,0]=4 467 B7R1.4 Cc1nnsc1Cl 1P00DDJZ [1,0,0,0,0,0|2,1,0]=4 468 B7R1.4 Cc1nnsc1N 1P01DX13 [1,0,0,0,0,0|2,1,0]=4 469 B7R1.4 Cc1nonc1C 1P00DD7H [1,0,0,0,0,0|2,0,0]=3 470 B7R1.4 Cc1occc1C 1P001LXH [1,0,0,0,0,0|1,0,0]=2 471 B7R1.4 Cc1ocnc1C 1P002J27 [1,0,0,0,0,0|0,0,0]=1 472 B7R1.4 Cc1s[c-]nc1C 1P00GSB6 [1,0,0,0,0,0|0,1,1]=3 473 B7R1.4 Cc1scnc1C 1P0034BY [1,0,0,0,0,0|0,1,0]=2 474 B7R1.4 Clc1[nH]cnc1Cl 1P001RQZ [1,0,0,0,0,0|3,0,0]=4 475 B7R1.4 Clc1c[nH]nc1C 1P001RBU [1,0,0,0,0,0|3,0,0]=4 476 B7R1.4 Clc1ccsc1C 1P007WBT [1,0,0,0,0,0|2,1,0]=4 477 B7R1.4 Clc1nc[nH]c1Br 1P0020H3 [1,0,0,0,0,0|3,0,0]=4 478 B7R1.4 Clc1nc[nH]c1C 1P004LHE [1,0,0,0,0,0|2,0,0]=3 479 B7R1.4 Cn1ccnc1Br 1P003H2T [1,0,0,0,0,0|3,0,0]=4 480 B7R1.4 Cn1ccnc1C 1P001ZQM [1,0,0,0,0,0|2,0,0]=3 481 B7R1.4 Cn1ccnc1Cl 1P00BD1D [1,0,0,0,0,0|3,0,0]=4 482 B7R1.4 Cn1ccnc1I 1P007CDV [1,0,0,0,0,0|3,0,0]=4 483 B7R1.4 Cn1ccnc1N 1P001KWR [1,0,0,0,0,0|3,0,0]=4 484 B7R1.4 Cn1ccnc1N 1P0039WI [1,0,0,0,0,0|3,0,0]=4 485 B7R1.4 Cn1ccnc1S 1P00IB3Q [1,0,0,0,0,0|3,0,0]=4 486 B7R1.4 Cn1ccoc1=O 1P0283EE [1,0,0,0,0,0|3,0,0]=4 487 B7R1.4 Cn1cnnc1C 1P00ACCC [1,0,0,0,0,0|3,0,0]=4 488 B7R1.4 Cn1nc[nH]c1=S 1P01A79Q [1,0,0,0,0,0|3,0,0]=4 489 B7R1.4 Cn1nccc1Br 1P0038FI [1,0,0,0,0,0|3,0,0]=4 490 B7R1.4 Cn1nccc1C 1P005MKD [1,0,0,0,0,0|2,0,0]=3 491 B7R1.4 Cn1nccc1Cl 1P00CL8T [1,0,0,0,0,0|3,0,0]=4 492 B7R1.4 Cn1nccc1I 1P00C8NB [1,0,0,0,0,0|3,0,0]=4 493 B7R1.4 Cn1nccc1N 1P000ISJ [1,0,0,0,0,0|3,0,0]=4 494 B7R1.4 Cn1nccc1O 1P003AIK [1,0,0,0,0,0|3,0,0]=4 495 B7R1.4 Cn1nccc1O 1P003EXW [1,0,0,0,0,0|3,0,0]=4 496 B7R1.4 Cn1ncnc1Br 1P00AKQQ [1,0,0,0,0,0|3,0,0]=4 497 B7R1.4 Cn1ncnc1C 1P027VPU [1,0,0,0,0,0|2,0,0]=3 498 B7R1.4 Cn1ncnc1Cl 1P00F0NH [1,0,0,0,0,0|3,0,0]=4 499 B7R1.4 Cn1ncnc1N 1P001QBF [1,0,0,0,0,0|3,0,0]=4 500 B7R1.4 Cn1nncc1C 1P028ADR [1,0,0,0,0,0|3,0,0]=4 501 B7R1.4 Cn1nnnc1C 1P00DHP9 [1,0,0,0,0,0|3,0,0]=4 502 B7R1.4 Fc1nc[nH]c1Br 1P00I1OI [1,0,0,0,0,0|3,0,0]=4 503 B7R1.4 Ic1[nH]cnc1I 1P001QH2 [1,0,0,0,0,0|3,0,0]=4 504 B7R1.4 Ic1c[nH]nc1C 1P001QDK [1,0,0,0,0,0|3,0,0]=4 505 B7R1.4 Ic1cnoc1C 1P005HNQ [1,0,0,0,0,0|3,0,0]=4 506 B7R1.4 Ic1ncoc1C 1P028TLC [1,0,0,0,0,0|1,0,0]=2 507 B7R1.4 Nc1c[nH]nc1C 1P000JZM [1,0,0,0,0,0|3,0,0]=4 508 B7R1.4 Nc1c[nH]nc1C 1P007B6V [1,0,0,0,0,0|3,0,0]=4 509 B7R1.4 Nc1ccsc1C 1P01BRMN [1,0,0,0,0,0|2,1,0]=4 510 B7R1.4 Nc1cnoc1C 1P0002LG [1,0,0,0,0,0|3,0,0]=4 511 B7R1.4 Nc1cnoc1C 1P004I86 [1,0,0,0,0,0|3,0,0]=4 512 B7R1.4 Nc1conc1C 1P00CJB5 [1,0,0,0,0,0|3,0,0]=4 513 B7R1.4 Nc1conc1C 1P01C5S8 [1,0,0,0,0,0|3,0,0]=4 514 B7R1.4 Nc1csnc1C 1P01EIGO [1,0,0,0,0,0|3,0,0]=4 515 B7R1.4 Nc1ncsc1C 1P01BVRP [1,0,0,0,0,0|1,1,0]=3 516 B7R1.4 Nc1ncsc1C 1P01BVRQ [1,0,0,0,0,0|1,1,0]=3 517 B7R1.4 Nc1nonc1C 1P00255Q [1,0,0,0,0,0|3,0,0]=4 518 B7R1.4 O=C1OCC=C1C 1P003K5L [1,0,0,0,0,0|2,0,1]=4 519 B7R1.4 Oc1cnoc1C 1P027UVL [1,0,0,0,0,0|3,0,0]=4 520 B7R1.4 Sc1ccoc1C 1P002W7D [1,0,0,0,0,0|2,0,0]=3 521 B9R1.22 BrCc1cc(nn1C)Br 1P028ZFN [0,1,0,0,0,0|3,0,0]=4 522 B9R1.22 BrCc1nc(oc1C)C 1P01ALQ0 [0,1,0,0,0,0|0,0,0]=1 523 B9R1.22 BrCc1nc(sc1C)Br 1P00PX7M [0,1,0,0,0,0|1,1,0]=3 524 B9R1.22 BrCc1nc(sc1C)C 1P028UXC [0,1,0,0,0,0|0,1,0]=2 525 B9R1.22 BrCc1nn(cc1Br)C 1P01EM93 [0,1,0,0,0,0|3,0,0]=4 526 B9R1.22 BrCc1nn(cc1C)C 1P028WAG [0,1,0,0,0,0|2,0,0]=3 527 B9R1.22 BrCc1nn(cc1Cl)C 1P01AUXF [0,1,0,0,0,0|3,0,0]=4 528 B9R1.22 BrCc1nn(nc1Br)C 1P0283VC [0,1,0,0,0,0|3,0,0]=4 529 B9R1.22 BrCc1oc(=O)oc1C 1P00IDLD [0,1,0,0,0,0|2,0,0]=3 530 B9R1.22 BrCc1sc(nc1Br)C 1P00I0FT [0,1,0,0,0,0|1,1,0]=3 531 B9R1.22 BrCc1sc(nc1C)Br 1P028IRT [0,1,0,0,0,0|1,1,0]=3 532 B9R1.22 C#Cc1cc(sc1C)C 1P00A7U4 [0,1,0,0,0,0|1,1,1]=4 533 B9R1.22 C#Cc1cn(nc1C)C 1P01AP55 [0,1,0,0,0,0|2,0,1]=4 534 B9R1.22 C#Cc1nn(cc1C)C 1P0288XH [0,1,0,0,0,0|2,0,1]=4 535 B9R1.22 C#Cc1sc(nc1C)C 1P004PXH [0,1,0,0,0,0|0,1,1]=3 536 B9R1.22 CCC1=CC(=O)OC1=O 1P01DZ76 [0,1,0,0,0,0|3,0,0]=4 537 B9R1.22 CCN1N=C(CC1=O)C 1P007SJ0 [0,1,0,0,0,0|3,0,0]=4 538 B9R1.22 CCc1nc([nH]c1C)C 1P028CR9 [0,1,0,0,0,0|1,0,0]=2 539 B9R1.22 CCc1nc(sc1Br)Br 1P01A7DT [0,1,0,0,0,0|2,1,0]=4 540 B9R1.22 CCc1nc(sc1C)N 1P00J22W [0,1,0,0,0,0|1,1,0]=3 541 B9R1.22 CCc1nc(sc1C)N 1P00JD99 [0,1,0,0,0,0|1,1,0]=3 542 B9R1.22 CCc1nn(cc1Br)C 1P00ILCV [0,1,0,0,0,0|3,0,0]=4 543 B9R1.22 CCc1nn(cc1I)C 1P01KW02 [0,1,0,0,0,0|3,0,0]=4 544 B9R1.22 CCc1nn(cc1N)C 1P01A4TT [0,1,0,0,0,0|3,0,0]=4 545 B9R1.22 CCc1nn(cc1N)C 1P01B85U [0,1,0,0,0,0|3,0,0]=4 546 B9R1.22 CCc1nn(cc1N)C 1P02939T [0,1,0,0,0,0|3,0,0]=4 547 B9R1.22 CCc1sc(nc1C)N 1P00IBDM [0,1,0,0,0,0|1,1,0]=3 548 B9R1.22 CCn1nc(cc1Br)C 1P01BTQP [0,1,0,0,0,0|3,0,0]=4 549 B9R1.22 CCn1nc(cc1C)C 1P00250V [0,1,0,0,0,0|2,0,0]=3 550 B9R1.22 CCn1nc(cc1Cl)C 1P01BFRP [0,1,0,0,0,0|3,0,0]=4 551 B9R1.22 CCn1nc(cc1N)C 1P00C0TR [0,1,0,0,0,0|3,0,0]=4 552 B9R1.22 CCn1nc(nc1Br)C 1P00J3FB [0,1,0,0,0,0|3,0,0]=4 553 B9R1.22 CCn1nc(nc1N)C 1P01C3KQ [0,1,0,0,0,0|3,0,0]=4 554 B9R1.22 CNc1nn(cc1Br)C 1P028ZNL [0,1,0,0,0,0|3,0,0]=4 555 B9R1.22 CNc1nn(cc1Cl)C 1P028E8U [0,1,0,0,0,0|3,0,0]=4 556 B9R1.22 COC1=CC(=O)OC1=O 1P01HA1B [0,1,0,0,0,0|3,0,0]=4 557 B9R1.22 COc1nn(cc1Br)C 1P00ILJ6 [0,1,0,0,0,0|3,0,0]=4 558 B9R1.22 COc1nn(cc1I)C 1P023QBO [0,1,0,0,0,0|3,0,0]=4 559 B9R1.22 COc1nn(cc1N)C 1P00HXAD [0,1,0,0,0,0|3,0,0]=4 560 B9R1.22 COc1sc(nc1I)C 1P028K9N [0,1,0,0,0,0|1,1,0]=3 561 B9R1.22 CSC1=CC(=O)OC1=O 1P01J7N4 [0,1,0,0,0,0|3,0,0]=4 562 B9R1.22 CSc1cn(nc1N)C 1P028462 [0,1,0,0,0,0|3,0,0]=4 563 B9R1.22 CSc1sc(nc1C)N 1P01A8DJ [0,1,0,0,0,0|1,1,0]=3 564 B9R1.22 Cc1cc(nn1CC)Br 1P01AP4T [0,1,0,0,0,0|3,0,0]=4 565 B9R1.22 Cc1cc(nn1CC)N 1P00J2DG [0,1,0,0,0,0|3,0,0]=4 566 B9R1.22 Cc1cc(nn1CO)C 1P003J53 [0,1,0,0,0,0|2,0,0]=3 567 B9R1.22 Cc1nc(cn1CC)Br 1P01DVEO [0,1,0,0,0,0|3,0,0]=4 568 B9R1.22 Cc1nc(nn1CC)Br 1P01EI5R [0,1,0,0,0,0|3,0,0]=4 569 B9R1.22 ClCc1cc(sc1C)C 1P019Y3B [0,1,0,0,0,0|1,1,0]=3 570 B9R1.22 ClCc1cn(nc1Br)C 1P01BSIX [0,1,0,0,0,0|3,0,0]=4 571 B9R1.22 ClCc1cn(nc1C)C 1P00J36D [0,1,0,0,0,0|2,0,0]=3 572 B9R1.22 ClCc1cn(nc1Cl)C 1P028V6T [0,1,0,0,0,0|3,0,0]=4 573 B9R1.22 ClCc1nc(oc1C)C 1P008OXV [0,1,0,0,0,0|0,0,0]=1 574 B9R1.22 ClCc1nc(sc1C)C 1P00HWX2 [0,1,0,0,0,0|0,1,0]=2 575 B9R1.22 ClCc1nn(cc1Br)C 1P00GW18 [0,1,0,0,0,0|3,0,0]=4 576 B9R1.22 ClCc1nn(cc1C)C 1P01EM7Z [0,1,0,0,0,0|2,0,0]=3 577 B9R1.22 ClCc1nn(cc1Cl)C 1P01AP5U [0,1,0,0,0,0|3,0,0]=4 578 B9R1.22 ClCc1nn(cc1I)C 1P028UM1 [0,1,0,0,0,0|3,0,0]=4 579 B9R1.22 ClCc1nn(nc1Br)C 1P028CLM [0,1,0,0,0,0|3,0,0]=4 580 B9R1.22 ClCc1oc(=O)oc1C 1P0034GT [0,1,0,0,0,0|2,0,0]=3 581 B9R1.22 ClCc1oc(nc1C)C 1P00493Z [0,1,0,0,0,0|0,0,0]=1 582 B9R1.22 ClCc1sc(nc1C)C 1P00J22D [0,1,0,0,0,0|0,1,0]=2 583 B9R1.22 ClCc1sc(nc1C)C 1P00J3OL [0,1,0,0,0,0|0,1,0]=2 584 B9R1.22 Cn1cc(nc1C=O)C 1P01AG79 [0,1,0,0,0,0|2,0,1]=4 585 B9R1.22 Cn1cc(nc1CCl)C 1P028PN8 [0,1,0,0,0,0|2,0,0]=3 586 B9R1.22 Cn1cc(nc1CO)Br 1P01OWSG [0,1,0,0,0,0|3,0,0]=4 587 B9R1.22 Cn1nc(cc1C#C)C 1P005U1Z [0,1,0,0,0,0|2,0,1]=4 588 B9R1.22 Cn1nc(cc1C#N)C 1P0031DY [0,1,0,0,0,0|2,0,1]=4 589 B9R1.22 Cn1nc(cc1C=O)C 1P002QOA [0,1,0,0,0,0|2,0,1]=4 590 B9R1.22 Cn1nc(cc1CBr)C 1P01BF8T [0,1,0,0,0,0|2,0,0]=3 591 B9R1.22 Cn1nc(cc1CC)N 1P01A6T3 [0,1,0,0,0,0|3,0,0]=4 592 B9R1.22 Cn1nc(cc1CC)N 1P01C48L [0,1,0,0,0,0|3,0,0]=4 593 B9R1.22 Cn1nc(cc1CCl)C 1P004MM5 [0,1,0,0,0,0|2,0,0]=3 594 B9R1.22 Cn1nc(cc1CCl)C 1P00HB56 [0,1,0,0,0,0|2,0,0]=3 595 B9R1.22 Cn1nc(cc1CN)Br 1P029039 [0,1,0,0,0,0|3,0,0]=4 596 B9R1.22 Cn1nc(cc1CN)C 1P006XJS [0,1,0,0,0,0|2,0,0]=3 597 B9R1.22 Cn1nc(cc1CO)C 1P00EA53 [0,1,0,0,0,0|2,0,0]=3 598 B9R1.22 Cn1nc(cc1CO)N 1P00JGNB [0,1,0,0,0,0|3,0,0]=4 599 B9R1.22 Cn1nc(cc1NC)Br 1P027XSX [0,1,0,0,0,0|3,0,0]=4 600 B9R1.22 Cn1nc(cc1OC)N 1P01AFMS [0,1,0,0,0,0|3,0,0]=4 601 B9R1.22 Cn1nc(cc1SC)Br 1P028S4M [0,1,0,0,0,0|3,0,0]=4 602 B9R1.22 Cn1nc(cc1SC)N 1P00HYYC [0,1,0,0,0,0|3,0,0]=4 603 B9R1.22 Cn1nc(cc1SC)N 1P027UQN [0,1,0,0,0,0|3,0,0]=4 604 B9R1.22 Cn1nc(nc1C#N)C 1P028GXU [0,1,0,0,0,0|2,0,1]=4 605 B9R1.22 Cn1nc(nc1C=O)C 1P021MXO [0,1,0,0,0,0|2,0,1]=4 606 B9R1.22 Cn1nc(nc1CC)Br 1P00J3ER [0,1,0,0,0,0|3,0,0]=4 607 B9R1.22 Cn1nc(nc1CC)N 1P00GU6I [0,1,0,0,0,0|3,0,0]=4 608 B9R1.22 Cn1nc(nc1CCl)C 1P004REG [0,1,0,0,0,0|2,0,0]=3 609 B9R1.22 Cn1nc(nc1CO)Br 1P01XFQT [0,1,0,0,0,0|3,0,0]=4 610 B9R1.22 Cn1nc(nc1CO)C 1P021N2Z [0,1,0,0,0,0|2,0,0]=3 611 B9R1.22 Cn1nc(nc1NC)Cl 1P00J34Q [0,1,0,0,0,0|3,0,0]=4 612 B9R1.22 Cn1nc(nc1OC)Cl 1P00J321 [0,1,0,0,0,0|3,0,0]=4 613 B9R1.22 Cn1nc(nc1SC)N 1P004NMU [0,1,0,0,0,0|3,0,0]=4 614 B9R1.22 ICc1oc(=O)oc1C 1P005J5E [0,1,0,0,0,0|2,0,0]=3 615 B9R1.22 N#Cc1cc(oc1C)C 1P003XYB [0,1,0,0,0,0|1,0,1]=3 616 B9R1.22 N#Cc1cn(nc1C)C 1P00IEZ2 [0,1,0,0,0,0|2,0,1]=4 617 B9R1.22 N#Cc1nc(oc1N)C 1P00I9LG [0,1,0,0,0,0|1,0,1]=3 618 B9R1.22 N#Cc1nc(sc1C)Br 1P00184S [0,1,0,0,0,0|1,1,1]=4 619 B9R1.22 N#Cc1nc(sc1C)C 1P027TYG [0,1,0,0,0,0|0,1,1]=3 620 B9R1.22 N#Cc1nc(sc1C)Cl 1P00184K [0,1,0,0,0,0|1,1,1]=4 621 B9R1.22 N#Cc1oc(nc1C)Br 1P00244H [0,1,0,0,0,0|1,0,1]=3 622 B9R1.22 N#Cc1sc(nc1C)Br 1P01JHFP [0,1,0,0,0,0|1,1,1]=4 623 B9R1.22 N#Cc1sc(nc1C)N 1P00FGN5 [0,1,0,0,0,0|1,1,1]=4 624 B9R1.22 N#Cc1sc(nc1C)N 1P01A63N [0,1,0,0,0,0|1,1,1]=4 625 B9R1.22 NCc1cc(oc1C)C 1P0031B2 [0,1,0,0,0,0|1,0,0]=2 626 B9R1.22 NCc1cc(oc1C)C 1P01AISE [0,1,0,0,0,0|1,0,0]=2 627 B9R1.22 NCc1cc(sc1C)C 1P018X4R [0,1,0,0,0,0|1,1,0]=3 628 B9R1.22 NCc1cn(nc1C)C 1P0037YG [0,1,0,0,0,0|2,0,0]=3 629 B9R1.22 NCc1cn(nc1C)C 1P01A6RX [0,1,0,0,0,0|2,0,0]=3 630 B9R1.22 NCc1cn(nc1Cl)C 1P027UZH [0,1,0,0,0,0|3,0,0]=4 631 B9R1.22 NCc1nc([nH]c1C)C 1P01EJZ2 [0,1,0,0,0,0|1,0,0]=2 632 B9R1.22 NCc1nc(sc1C)Br 1P028S9E [0,1,0,0,0,0|1,1,0]=3 633 B9R1.22 NCc1nc(sc1C)C 1P01A3EN [0,1,0,0,0,0|0,1,0]=2 634 B9R1.22 NCc1nc(sc1Cl)Cl 1P028I15 [0,1,0,0,0,0|2,1,0]=4 635 B9R1.22 NCc1nn(cc1Br)C 1P006F83 [0,1,0,0,0,0|3,0,0]=4 636 B9R1.22 NCc1nn(cc1C)C 1P01EIJO [0,1,0,0,0,0|2,0,0]=3 637 B9R1.22 NCc1nn(cc1I)C 1P01C1Z4 [0,1,0,0,0,0|3,0,0]=4 638 B9R1.22 NCc1nn(cc1S)C 1P028D45 [0,1,0,0,0,0|3,0,0]=4 639 B9R1.22 NCc1nn(nc1Br)C 1P02860A [0,1,0,0,0,0|3,0,0]=4 640 B9R1.22 NCc1nn(nc1C)C 1P0283NO [0,1,0,0,0,0|2,0,0]=3 641 B9R1.22 NCc1oc(=O)oc1C 1P01FK6M [0,1,0,0,0,0|2,0,0]=3 642 B9R1.22 NCc1oc(nc1C)C 1P01BAHZ [0,1,0,0,0,0|0,0,0]=1 643 B9R1.22 NCc1oc(nc1C)C 1P01C515 [0,1,0,0,0,0|0,0,0]=1 644 B9R1.22 NCc1sc(cc1Br)C 1P01C6XV [0,1,0,0,0,0|2,1,0]=4 645 B9R1.22 NCc1sc(cc1C)C 1P028DZS [0,1,0,0,0,0|1,1,0]=3 646 B9R1.22 NCc1sc(nc1C)Br 1P00249G [0,1,0,0,0,0|1,1,0]=3 647 B9R1.22 NCc1sc(nc1C)Br 1P02908E [0,1,0,0,0,0|1,1,0]=3 648 B9R1.22 NCc1sc(nc1C)C 1P00ACBJ [0,1,0,0,0,0|0,1,0]=2 649 B9R1.22 NCc1sc(nc1C)C 1P00HF26 [0,1,0,0,0,0|0,1,0]=2 650 B9R1.22 NCc1sc(nc1Cl)Cl 1P027ZTR [0,1,0,0,0,0|2,1,0]=4 651 B9R1.22 NNc1nc(nn1C)C 1P027Z42 [0,1,0,0,0,0|3,0,0]=4 652 B9R1.22 O=Cc1[nH]c(cc1C)C 1P00389A [0,1,0,0,0,0|1,0,2]=4 653 B9R1.22 O=Cc1[nH]c(nc1Br)C 1P01B8DD [0,1,0,0,0,0|2,0,1]=4 654 B9R1.22 O=Cc1cc([nH]c1C)C 1P00C2KS [0,1,0,0,0,0|1,0,2]=4 655 B9R1.22 O=Cc1cc(oc1C)C 1P01A4CI [0,1,0,0,0,0|1,0,1]=3 656 B9R1.22 O=Cc1cc(sc1C)C 1P002TMF [0,1,0,0,0,0|1,1,1]=4 657 B9R1.22 O=Cc1cn(nc1C)C 1P002QO7 [0,1,0,0,0,0|2,0,1]=4 658 B9R1.22 O=Cc1nc([nH]c1C)C 1P0033GC [0,1,0,0,0,0|1,0,1]=3 659 B9R1.22 O=Cc1nc(oc1C)Br 1P000LXQ [0,1,0,0,0,0|1,0,1]=3 660 B9R1.22 O=Cc1nc(oc1C)C 1P006KTE [0,1,0,0,0,0|0,0,1]=2 661 B9R1.22 O=Cc1nc(sc1Br)C 1P00C4UP [0,1,0,0,0,0|1,1,1]=4 662 B9R1.22 O=Cc1nc(sc1C)N 1P00E7QC [0,1,0,0,0,0|1,1,1]=4 663 B9R1.22 O=Cc1nn(nc1C)C 1P00CYR7 [0,1,0,0,0,0|2,0,1]=4 664 B9R1.22 O=Cc1oc(nc1C)C 1P005M8R [0,1,0,0,0,0|0,0,1]=2 665 B9R1.22 O=Cc1sc(cc1C)C 1P004XBO [0,1,0,0,0,0|1,1,1]=4 666 B9R1.22 O=Cc1sc(nc1C)Br 1P00H5XF [0,1,0,0,0,0|1,1,1]=4 667 B9R1.22 O=Cc1sc(nc1C)C 1P003GBF [0,1,0,0,0,0|0,1,1]=3 668 B9R1.22 O=Cc1sc(nc1C)Cl 1P00BK61 [0,1,0,0,0,0|1,1,1]=4 669 B9R1.22 OCc1cc(oc1C)C 1P0001ZY [0,1,0,0,0,0|1,0,0]=2 670 B9R1.22 OCc1cc(sc1C)Br 1P028BTP [0,1,0,0,0,0|2,1,0]=4 671 B9R1.22 OCc1cc(sc1C)C 1P019Y3A [0,1,0,0,0,0|1,1,0]=3 672 B9R1.22 OCc1cn(nc1Br)C 1P01C0MT [0,1,0,0,0,0|3,0,0]=4 673 B9R1.22 OCc1cn(nc1C)C 1P008XYJ [0,1,0,0,0,0|2,0,0]=3 674 B9R1.22 OCc1cn(nc1Cl)C 1P01AMAP [0,1,0,0,0,0|3,0,0]=4 675 B9R1.22 OCc1cn(nc1I)C 1P01FI60 [0,1,0,0,0,0|3,0,0]=4 676 B9R1.22 OCc1nc(oc1C)C 1P0068MQ [0,1,0,0,0,0|0,0,0]=1 677 B9R1.22 OCc1nc(sc1Br)C 1P00964E [0,1,0,0,0,0|1,1,0]=3 678 B9R1.22 OCc1nc(sc1C)Br 1P00HF73 [0,1,0,0,0,0|1,1,0]=3 679 B9R1.22 OCc1nc(sc1C)C 1P00JI87 [0,1,0,0,0,0|0,1,0]=2 680 B9R1.22 OCc1nn(cc1Br)C 1P006HIZ [0,1,0,0,0,0|3,0,0]=4 681 B9R1.22 OCc1nn(cc1C)C 1P01BJF8 [0,1,0,0,0,0|2,0,0]=3 682 B9R1.22 OCc1nn(cc1Cl)C 1P00JGMW [0,1,0,0,0,0|3,0,0]=4 683 B9R1.22 OCc1nn(cc1F)C 1P01TSS7 [0,1,0,0,0,0|3,0,0]=4 684 B9R1.22 OCc1nn(nc1Br)C 1P028IVI [0,1,0,0,0,0|3,0,0]=4 685 B9R1.22 OCc1nn(nc1C)C 1P0292ZX [0,1,0,0,0,0|2,0,0]=3 686 B9R1.22 OCc1oc(=O)oc1C 1P003906 [0,1,0,0,0,0|2,0,0]=3 687 B9R1.22 OCc1oc(nc1C)Br 1P021U2A [0,1,0,0,0,0|1,0,0]=2 688 B9R1.22 OCc1oc(nc1C)C 1P00C2BF [0,1,0,0,0,0|0,0,0]=1 689 B9R1.22 OCc1sc(nc1Br)Br 1P00AMFW [0,1,0,0,0,0|2,1,0]=4 690 B9R1.22 OCc1sc(nc1C)Br 1P01EEJR [0,1,0,0,0,0|1,1,0]=3 691 B9R1.22 OCc1sc(nc1C)C 1P00DEJM [0,1,0,0,0,0|0,1,0]=2 692 B9R1.22 OCc1sc(nc1C)Cl 1P01CAM6 [0,1,0,0,0,0|1,1,0]=3 693 B9R1.22 OCc1sc(nc1Cl)Cl 1P00ACOJ [0,1,0,0,0,0|2,1,0]=4 694 B9R1.22 SCc1nn(cc1Br)C 1P02848Q [0,1,0,0,0,0|3,0,0]=4 695 B9R1.22 SCc1nn(nc1Br)C 1P0285FP [0,1,0,0,0,0|3,0,0]=4 696 B9R1.23 BrCc1nc(c(s1)Br)C 1P01BUQG [0,1,0,0,0,0|1,1,0]=3 697 B9R1.23 BrCc1sc(c(n1)C)C 1P00H9NO [0,1,0,0,0,0|0,1,0]=2 698 B9R1.23 C#Cc1nn(c(c1)C)C 1P01DRYQ [0,1,0,0,0,0|2,0,1]=4 699 B9R1.23 C#Cc1sc(c(c1)C)C 1P01BHH0 [0,1,0,0,0,0|1,1,1]=4 700 B9R1.23 C#Cc1sc(c(n1)C)C 1P02861U [0,1,0,0,0,0|0,1,1]=3 701 B9R1.23 CC1=CC(OC)=NN1C 1P01K2RU [0,1,0,0,0,0|2,0,0]=3 702 B9R1.23 CCc1[nH]c(c(n1)Br)Br 1P01JTZ5 [0,1,0,0,0,0|3,0,0]=4 703 B9R1.23 CCc1nc(c([nH]1)C)Br 1P02829C [0,1,0,0,0,0|2,0,0]=3 704 B9R1.23 CCc1nc(c(s1)Br)C 1P004JVD [0,1,0,0,0,0|1,1,0]=3 705 B9R1.23 CCc1nc(c(s1)N)C 1P01AG3Z [0,1,0,0,0,0|1,1,0]=3 706 B9R1.23 CCc1nc(c(s1)N)C 1P01AG40 [0,1,0,0,0,0|1,1,0]=3 707 B9R1.23 CCc1nn(c(c1)Cl)C 1P00BO56 [0,1,0,0,0,0|3,0,0]=4 708 B9R1.23 CCc1nn(c(c1)N)C 1P01AJG9 [0,1,0,0,0,0|3,0,0]=4 709 B9R1.23 CCc1nn(c(n1)Br)C 1P00J3ET [0,1,0,0,0,0|3,0,0]=4 710 B9R1.23 CCc1nn(c(n1)N)C 1P01DX1X [0,1,0,0,0,0|3,0,0]=4 711 B9R1.23 CCc1sc(c(n1)C)C 1P003HNT [0,1,0,0,0,0|0,1,0]=2 712 B9R1.23 CCn1cc(c(n1)C)Br 1P00DD4B [0,1,0,0,0,0|3,0,0]=4 713 B9R1.23 CCn1cc(c(n1)C)Cl 1P00JDRH [0,1,0,0,0,0|3,0,0]=4 714 B9R1.23 CCn1cc(c(n1)C)I 1P00HGWU [0,1,0,0,0,0|3,0,0]=4 715 B9R1.23 CCn1cc(c(n1)C)N 1P000Q04 [0,1,0,0,0,0|3,0,0]=4 716 B9R1.23 CCn1cc(c(n1)C)N 1P008XYH [0,1,0,0,0,0|3,0,0]=4 717 B9R1.23 CCn1cc(c(n1)C)N 1P00IIZW [0,1,0,0,0,0|3,0,0]=4 718 B9R1.23 CCn1cc(c(n1)N)C 1P008VPT [0,1,0,0,0,0|3,0,0]=4 719 B9R1.23 CCn1nc(c(n1)C)Br 1P01C1LU [0,1,0,0,0,0|3,0,0]=4 720 B9R1.23 CNc1nc(c(s1)Br)C 1P00GW10 [0,1,0,0,0,0|1,1,0]=3 721 B9R1.23 CNc1nc(c(s1)C)Br 1P00248Z [0,1,0,0,0,0|1,1,0]=3 722 B9R1.23 CNc1nn(c(c1)C)C 1P00EEES [0,1,0,0,0,0|2,0,0]=3 723 B9R1.23 COc1nn(c(c1)Br)C 1P023Z9F [0,1,0,0,0,0|3,0,0]=4 724 B9R1.23 COc1nn(c(c1)N)C 1P01BIL0 [0,1,0,0,0,0|3,0,0]=4 725 B9R1.23 ClCc1[nH]c(c(n1)C)C 1P00J35J [0,1,0,0,0,0|1,0,0]=2 726 B9R1.23 ClCc1cc(c(s1)C)Br 1P028W64 [0,1,0,0,0,0|2,1,0]=4 727 B9R1.23 ClCc1nn(c(c1)C)C 1P0022IY [0,1,0,0,0,0|2,0,0]=3 728 B9R1.23 ClCc1nn(c(c1)Cl)C 1P00DY4N [0,1,0,0,0,0|3,0,0]=4 729 B9R1.23 ClCc1nn(c(n1)C)C 1P021MOC [0,1,0,0,0,0|2,0,0]=3 730 B9R1.23 ClCc1oc(c(n1)C)C 1P019WQX [0,1,0,0,0,0|0,0,0]=1 731 B9R1.23 ClCc1sc(c(n1)C)C 1P00FDQP [0,1,0,0,0,0|0,1,0]=2 732 B9R1.23 ClCc1sc(c(n1)C)C 1P00J3VW [0,1,0,0,0,0|0,1,0]=2 733 B9R1.23 Cn1cc(nc1S)CO 1P007ZKQ [0,1,0,0,0,0|3,0,0]=4 734 B9R1.23 Cn1nc([nH]c1=O)CCl 1P01A4PC [0,1,0,0,0,0|3,0,0]=4 735 B9R1.23 Cn1nc(cc1Br)CN 1P028MC8 [0,1,0,0,0,0|3,0,0]=4 736 B9R1.23 Cn1nc(cc1Cl)CN 1P028B3E [0,1,0,0,0,0|3,0,0]=4 737 B9R1.23 Cn1nc(cc1Cl)CO 1P028J5M [0,1,0,0,0,0|3,0,0]=4 738 B9R1.23 Cn1nc(cc1N)CO 1P01E6ZM [0,1,0,0,0,0|3,0,0]=4 739 B9R1.23 N#Cc1[nH]c(c(n1)C)C 1P01B7AQ [0,1,0,0,0,0|1,0,1]=3 740 B9R1.23 N#Cc1cc(c(o1)Br)C 1P01DWN5 [0,1,0,0,0,0|2,0,1]=4 741 B9R1.23 N#Cc1nc(c(s1)Br)C 1P01BJGS [0,1,0,0,0,0|1,1,1]=4 742 B9R1.23 N#Cc1nn(c(c1)C)C 1P00D922 [0,1,0,0,0,0|2,0,1]=4 743 B9R1.23 N#Cc1nn(c(n1)C)C 1P028Z0T [0,1,0,0,0,0|2,0,1]=4 744 B9R1.23 NCC1=NN(C(=O)C1)C 1P01BHN7 [0,1,0,0,0,0|3,0,0]=4 745 B9R1.23 NCc1[nH]c(c(n1)C)C 1P019ZLD [0,1,0,0,0,0|1,0,0]=2 746 B9R1.23 NCc1nc(c(s1)Br)C 1P01APJB [0,1,0,0,0,0|1,1,0]=3 747 B9R1.23 NCc1nc(c(s1)Br)C 1P027XG0 [0,1,0,0,0,0|1,1,0]=3 748 B9R1.23 NCc1nn(c(c1)C)C 1P0033XA [0,1,0,0,0,0|2,0,0]=3 749 B9R1.23 NCc1nn(c(n1)Br)C 1P028C1I [0,1,0,0,0,0|3,0,0]=4 750 B9R1.23 NCc1nn(c(n1)N)C 1P02885H [0,1,0,0,0,0|3,0,0]=4 751 B9R1.23 NCc1oc(c(c1)Br)Br 1P024SG1 [0,1,0,0,0,0|3,0,0]=4 752 B9R1.23 NCc1oc(c(c1)C)C 1P027UWZ [0,1,0,0,0,0|1,0,0]=2 753 B9R1.23 NCc1sc(c(c1)C)C 1P01AL6C [0,1,0,0,0,0|1,1,0]=3 754 B9R1.23 NCc1sc(c(n1)C)C 1P00J1U7 [0,1,0,0,0,0|0,1,0]=2 755 B9R1.23 NCc1sc(c(n1)C)C 1P00J3MK [0,1,0,0,0,0|0,1,0]=2 756 B9R1.23 NNc1sc(c(n1)C)C 1P000M9T [0,1,0,0,0,0|1,1,0]=3 757 B9R1.23 NNc1sc(c(n1)C)C 1P00J1ZX [0,1,0,0,0,0|1,1,0]=3 758 B9R1.23 O=Cc1[nH]c(c(n1)C)C 1P0076T6 [0,1,0,0,0,0|1,0,1]=3 759 B9R1.23 O=Cc1cc(c(o1)Br)C 1P01DWEO [0,1,0,0,0,0|2,0,1]=4 760 B9R1.23 O=Cc1cc(c(o1)C)Br 1P002IUV [0,1,0,0,0,0|2,0,1]=4 761 B9R1.23 O=Cc1cn(c(n1)C)C 1P01JU0G [0,1,0,0,0,0|2,0,1]=4 762 B9R1.23 O=Cc1nc(c(s1)Br)C 1P00IJLG [0,1,0,0,0,0|1,1,1]=4 763 B9R1.23 O=Cc1nn(c(c1)C)C 1P002QO9 [0,1,0,0,0,0|2,0,1]=4 764 B9R1.23 O=Cc1nn(c(n1)C)C 1P01PXJR [0,1,0,0,0,0|2,0,1]=4 765 B9R1.23 O=Cc1oc(c(c1)C)C 1P003KYZ [0,1,0,0,0,0|1,0,1]=3 766 B9R1.23 O=Cc1oc(c(n1)C)C 1P01A02Y [0,1,0,0,0,0|0,0,1]=2 767 B9R1.23 O=Cc1sc(c(c1)C)C 1P003KZ3 [0,1,0,0,0,0|1,1,1]=4 768 B9R1.23 O=Cc1sc(c(n1)C)C 1P008Q95 [0,1,0,0,0,0|0,1,1]=3 769 B9R1.23 OCc1[nH]c(c(n1)C)C 1P000GZ7 [0,1,0,0,0,0|1,0,0]=2 770 B9R1.23 OCc1[nH]c(c(n1)Cl)Cl 1P00DXQY [0,1,0,0,0,0|3,0,0]=4 771 B9R1.23 OCc1cc(c(s1)C)Br 1P01SZO8 [0,1,0,0,0,0|2,1,0]=4 772 B9R1.23 OCc1cn(c(n1)C)C 1P01BOI1 [0,1,0,0,0,0|2,0,0]=3 773 B9R1.23 OCc1nn(c(c1)C)C 1P007HYG [0,1,0,0,0,0|2,0,0]=3 774 B9R1.23 OCc1nn(c(n1)Br)C 1P00I1PI [0,1,0,0,0,0|3,0,0]=4 775 B9R1.23 OCc1nn(c(n1)C)C 1P021MOB [0,1,0,0,0,0|2,0,0]=3 776 B9R1.23 OCc1oc(c(n1)C)C 1P019ZJV [0,1,0,0,0,0|0,0,0]=1 777 B9R1.23 OCc1sc(c(n1)C)C 1P003WI2 [0,1,0,0,0,0|0,1,0]=2 778 B9R1.23 OCc1sc(c(n1)C)C 1P00J2HV [0,1,0,0,0,0|0,1,0]=2 779 B9R1.23 OCc1sc(c(n1)Cl)Cl 1P028V9F [0,1,0,0,0,0|2,1,0]=4 780 B9R1.36 CC1=NS(=O)(=O)N=C1C 1P020270 [0,1,0,0,0,0|3,0,0]=4 781 B9R1.36 CC1=NS(=O)(=O)OC1C 1P028XF7 [0,1,0,0,0,0|2,0,1]=4 782 B9R1.36 O=C1OC(C=C1C)(C)O 1P020L2K [0,1,0,0,0,0|2,0,1]=4 783 B9R1.37 Brc1nc(c(n1C)Br)C 1P004TBE [0,1,0,0,0,0|3,0,0]=4 784 B9R1.37 Brc1nc(c(n1C)C)Br 1P004TBF [0,1,0,0,0,0|3,0,0]=4 785 B9R1.37 Brc1nc(c(n1C)C)C 1P0016SU [0,1,0,0,0,0|2,0,0]=3 786 B9R1.37 Brc1nc(n(c1C)C)Cl 1P028YT6 [0,1,0,0,0,0|3,0,0]=4 787 B9R1.37 Brc1nc(n(c1C)C)I 1P028ESC [0,1,0,0,0,0|3,0,0]=4 788 B9R1.37 Brc1nn(c(c1Br)C)C 1P01AMPM [0,1,0,0,0,0|3,0,0]=4 789 B9R1.37 CC1=C(C)C(=C(C1)C)C 1P003DQZ [0,1,0,0,0,0|2,0,0]=3 790 B9R1.37 CC1OC(=C(C1=O)O)C 1P003LY3 [0,1,0,0,0,0|2,0,1]=4 791 B9R1.37 CC1OC(=O)C(=C1C)C 1P003B27 [0,1,0,0,0,0|2,0,1]=4 792 B9R1.37 CC1OC(=O)C(=C1C)O 1P002WH1 [0,1,0,0,0,0|2,0,1]=4 793 B9R1.37 Cc1[nH]n(c(=N)c1C)C 1P01ABW2 [0,1,0,0,0,0|2,0,1]=4 794 B9R1.37 Cc1nc(c(n1C)Br)Br 1P007AZM [0,1,0,0,0,0|3,0,0]=4 795 B9R1.37 Cc1nc(c(n1C)C)Br 1P01ZYD0 [0,1,0,0,0,0|2,0,0]=3 796 B9R1.37 Cc1nc(c(n1C)C)C 1P001ZQN [0,1,0,0,0,0|1,0,0]=2 797 B9R1.37 Cc1nc(c(n1C)Cl)Cl 1P0020UY [0,1,0,0,0,0|3,0,0]=4 798 B9R1.37 Cc1nc(c(n1C)I)I 1P009IE7 [0,1,0,0,0,0|3,0,0]=4 799 B9R1.37 Cc1nc(c(n1C)N)C 1P0293PL [0,1,0,0,0,0|2,0,0]=3 800 B9R1.37 Cc1nn(c(c1Br)C)C 1P001QDQ [0,1,0,0,0,0|2,0,0]=3 801 B9R1.37 Cc1nn(c(c1Br)Cl)C 1P0206AJ [0,1,0,0,0,0|3,0,0]=4 802 B9R1.37 Cc1nn(c(c1Br)F)C 1P01AP5O [0,1,0,0,0,0|3,0,0]=4 803 B9R1.37 Cc1nn(c(c1Br)I)C 1P01C2AY [0,1,0,0,0,0|3,0,0]=4 804 B9R1.37 Cc1nn(c(c1Br)N)C 1P002C0M [0,1,0,0,0,0|3,0,0]=4 805 B9R1.37 Cc1nn(c(c1Br)O)C 1P01AMAB [0,1,0,0,0,0|3,0,0]=4 806 B9R1.37 Cc1nn(c(c1C)Cl)C 1P01BFBC [0,1,0,0,0,0|2,0,0]=3 807 B9R1.37 Cc1nn(c(c1Cl)N)C 1P00JFC1 [0,1,0,0,0,0|3,0,0]=4 808 B9R1.37 Cc1nn(c(c1Cl)N)C 1P01C2FT [0,1,0,0,0,0|3,0,0]=4 809 B9R1.37 Cc1nn(c(c1F)Br)C 1P01C1XK [0,1,0,0,0,0|3,0,0]=4 810 B9R1.37 Cc1nn(c(c1F)Cl)C 1P01AV1F [0,1,0,0,0,0|3,0,0]=4 811 B9R1.37 Cc1nn(c(c1I)C)C 1P00DD42 [0,1,0,0,0,0|2,0,0]=3 812 B9R1.37 Cc1nn(c(c1I)F)C 1P01AP5N [0,1,0,0,0,0|3,0,0]=4 813 B9R1.37 Cc1nn(c(c1N)C)C 1P002VTS [0,1,0,0,0,0|2,0,0]=3 814 B9R1.37 Cc1nn(c(c1N)C)C 1P008ZID [0,1,0,0,0,0|2,0,0]=3 815 B9R1.37 Cc1nn(c(c1O)C)C 1P003W6B [0,1,0,0,0,0|2,0,0]=3 816 B9R1.37 Cc1sc(c(c1Br)Br)C 1P00CN2A [0,1,0,0,0,0|2,1,0]=4 817 B9R1.37 Cc1sc(c(c1Br)C)C 1P028ENV [0,1,0,0,0,0|1,1,0]=3 818 B9R1.37 Cc1sc(c(c1C)Br)Br 1P028HRS [0,1,0,0,0,0|2,1,0]=4 819 B9R1.37 Cc1sc(c(c1C)C)Br 1P028E92 [0,1,0,0,0,0|2,1,0]=4 820 B9R1.37 Cc1sc(c(c1I)C)C 1P003K1U [0,1,0,0,0,0|1,1,0]=3 821 B9R1.37 Clc1nc(c(n1C)C)C 1P027Y5X [0,1,0,0,0,0|2,0,0]=3 822 B9R1.37 Cn1nc(c(c1C)Br)N 1P00JFBZ [0,1,0,0,0,0|3,0,0]=4 823 B9R1.37 Cn1nc(c(c1C)N)Br 1P028FD0 [0,1,0,0,0,0|3,0,0]=4 824 B9R1.37 Cn1nc(c(c1C)N)Br 1P028SUQ [0,1,0,0,0,0|3,0,0]=4 825 B9R1.37 Cn1nc(c(c1I)C)Br 1P028T4Z [0,1,0,0,0,0|3,0,0]=4 826 B9R1.37 Nc1nc(c(n1C)C)C 1P028JPA [0,1,0,0,0,0|2,0,0]=3 827 B9R1.37 Nc1nn(c(c1N)C)C 1P00JCQS [0,1,0,0,0,0|3,0,0]=4 828 B9R1.37 O=C1OC(=O)C(=C1Br)C 1P00ELCC [0,1,0,0,0,0|3,0,0]=4 829 B9R1.37 O=C1OC(=O)C(=C1C)C 1P0033EX [0,1,0,0,0,0|3,0,0]=4 830 B9R1.37 O=c1[nH]c(c(n1C)C)C 1P00J36Z [0,1,0,0,0,0|2,0,1]=4 831 B9R1.38 O=C1C=C(C(O1)(C)C)C 1P01C5FE [0,1,0,0,0,0|2,0,1]=4 832 B7R0.2 CC(C=C)OC(=O)C 1P003JM8 [0,0,1,0,0,0|1,0,2]=4 833 B7R0.2 CCC(=O)OC(=O)C 1P000VFI [0,0,1,0,0,0|2,0,1]=4 834 B7R0.2 CO\C(=C/C(=O)C)\C 1P00BW7O [0,0,1,0,0,0|2,0,1]=4 835 B7R0.2 C\C(=C/C(=O)O)\CC 1P002C5I [0,0,1,0,0,0|2,0,1]=4 836 B7R0.2 C\C(=C\C(=O)O)\C=C 1P01EMNE [0,0,1,0,0,0|2,0,1]=4 837 B7R0.5 C=COC(=O)C(=C)C 1P003VRS [0,0,1,0,0,0|2,0,1]=4 838 B7R0.5 CC(C(=N)N)OCC 1P019SLY [0,0,1,0,0,0|1,0,2]=4 839 B7R0.5 CCOC(=O)C(=C)C 1P003QWF [0,0,1,0,0,0|2,0,1]=4 840 B7R0.5 CCOC(=O)C(=N)N 1P00GBD7 [0,0,1,0,0,0|2,0,1]=4 841 B7R0.5 CCOC(=O)C(=O)C 1P0035DH [0,0,1,0,0,0|2,0,1]=4 842 B7R0.5 C\C(=C/C=C)\C(=O)O 1P028VMJ [0,0,1,0,0,0|2,0,1]=4 843 B7R0.5 C\C(=C/CC)\C(=O)O 1P003I2Q [0,0,1,0,0,0|2,0,1]=4 844 B7R0.5 C\C(=N/OC)\C(=O)O 1P01KKJY [0,0,1,0,0,0|2,0,0]=3 845 B7R0.7 C=COC(=O)C=CC 1P001LJB [0,0,1,0,0,0|2,0,1]=4 846 B7R0.7 CC(=NC#N)OCC 1P001OP5 [0,0,1,0,0,0|1,0,2]=4 847 B7R0.7 CCOC(=O)\C=C\C 1P00IKXM [0,0,1,0,0,0|2,0,1]=4 848 B9R1.34 Brc1cc(Br)nc(n1)C 1P01A5NS [0,0,0,0,0,1|3,0,0]=4 849 B9R1.34 Brc1cc(C)nc(c1)Br 1P00GAMS [0,0,0,0,0,1|3,0,0]=4 850 B9R1.34 Brc1cc(C)nc(c1)C 1P0037LN [0,0,0,0,0,1|2,0,0]=3 851 B9R1.34 Brc1cc(C)nc(c1)Cl 1P0092J5 [0,0,0,0,0,1|3,0,0]=4 852 B9R1.34 Brc1cc(C)nc(c1)F 1P000JS2 [0,0,0,0,0,1|3,0,0]=4 853 B9R1.34 Brc1cc(C)nc(c1)N 1P003957 [0,0,0,0,0,1|3,0,0]=4 854 B9R1.34 Brc1cc(C)nc(c1)O 1P004MH2 [0,0,0,0,0,1|3,0,0]=4 855 B9R1.34 Brc1cc(C)oc(=O)c1 1P0011AP [0,0,0,0,0,1|3,0,0]=4 856 B9R1.34 CC1CC(=O)C=C(O1)C 1P01DW7M [0,0,0,0,0,1|2,0,1]=4 857 B9R1.34 CC1SC(C)N=C(S1)C 1P008FJ7 [0,0,0,0,0,1|0,1,2]=4 858 B9R1.34 Cc1[nH]c(C)cc(=O)c1 1P005EJC [0,0,0,0,0,1|2,0,1]=4 859 B9R1.34 Cc1cc(Br)nc(c1)Br 1P003GIY [0,0,0,0,0,1|3,0,0]=4 860 B9R1.34 Cc1cc(Br)nc(n1)C 1P0036H5 [0,0,0,0,0,1|2,0,0]=3 861 B9R1.34 Cc1cc(Br)nc(n1)Cl 1P021Z92 [0,0,0,0,0,1|3,0,0]=4 862 B9R1.34 Cc1cc(Br)nc(n1)N 1P00EISY [0,0,0,0,0,1|3,0,0]=4 863 B9R1.34 Cc1cc(C)[nH]c(=O)c1 1P001SOH [0,0,0,0,0,1|2,0,1]=4 864 B9R1.34 Cc1cc(C)[nH]c(=O)n1 1P003HV1 [0,0,0,0,0,1|2,0,0]=3 865 B9R1.34 Cc1cc(C)[nH]c(=O)n1 1P028LUT [0,0,0,0,0,1|2,0,0]=3 866 B9R1.34 Cc1cc(C)[nH]c(=S)n1 1P003HYO [0,0,0,0,0,1|2,0,0]=3 867 B9R1.34 Cc1cc(C)[o+]c(c1)C 1P0033FC [0,0,0,0,0,1|1,0,1]=3 868 B9R1.34 Cc1cc(C)[o+]c(c1)C 1P006SK0 [0,0,0,0,0,1|1,0,1]=3 869 B9R1.34 Cc1cc(C)cc(c1)Br 1P00336A [0,0,0,0,0,1|3,0,0]=4 870 B9R1.34 Cc1cc(C)cc(c1)C 1P003PTO [0,0,0,0,0,1|2,0,0]=3 871 B9R1.34 Cc1cc(C)cc(c1)C 1P003RXS [0,0,0,0,0,1|2,0,0]=3 872 B9R1.34 Cc1cc(C)cc(c1)C 1P003RXU [0,0,0,0,0,1|2,0,0]=3 873 B9R1.34 Cc1cc(C)cc(c1)Cl 1P003N5C [0,0,0,0,0,1|3,0,0]=4 874 B9R1.34 Cc1cc(C)cc(c1)F 1P006XRI [0,0,0,0,0,1|3,0,0]=4 875 B9R1.34 Cc1cc(C)cc(c1)I 1P003394 [0,0,0,0,0,1|3,0,0]=4 876 B9R1.34 Cc1cc(C)cc(c1)N 1P003J5D [0,0,0,0,0,1|3,0,0]=4 877 B9R1.34 Cc1cc(C)cc(c1)O 1P0038OZ [0,0,0,0,0,1|3,0,0]=4 878 B9R1.34 Cc1cc(C)cc(c1)S 1P003J5F [0,0,0,0,0,1|3,0,0]=4 879 B9R1.34 Cc1cc(C)nc(c1)Br 1P0036L0 [0,0,0,0,0,1|2,0,0]=3 880 B9R1.34 Cc1cc(C)nc(c1)C 1P0033F3 [0,0,0,0,0,1|1,0,0]=2 881 B9R1.34 Cc1cc(C)nc(c1)Cl 1P0031XD [0,0,0,0,0,1|2,0,0]=3 882 B9R1.34 Cc1cc(C)nc(c1)N 1P003GVD [0,0,0,0,0,1|2,0,0]=3 883 B9R1.34 Cc1cc(C)nc(c1)S 1P01B1VQ [0,0,0,0,0,1|2,0,0]=3 884 B9R1.34 Cc1cc(C)nc(n1)Br 1P001YRP [0,0,0,0,0,1|2,0,0]=3 885 B9R1.34 Cc1cc(C)nc(n1)C 1P028XLK [0,0,0,0,0,1|1,0,0]=2 886 B9R1.34 Cc1cc(C)nc(n1)Cl 1P00I8XA [0,0,0,0,0,1|2,0,0]=3 887 B9R1.34 Cc1cc(C)nc(n1)I 1P001YRO [0,0,0,0,0,1|2,0,0]=3 888 B9R1.34 Cc1cc(C)nc(n1)N 1P003O4G [0,0,0,0,0,1|2,0,0]=3 889 B9R1.34 Cc1cc(C)nc(n1)O 1P003L0H [0,0,0,0,0,1|2,0,0]=3 890 B9R1.34 Cc1cc(C)nc(n1)[S-] 1P003HYP [0,0,0,0,0,1|2,0,0]=3 891 B9R1.34 Cc1cc(C)oc(=O)c1 1P003L0E [0,0,0,0,0,1|2,0,0]=3 892 B9R1.34 Cc1cc(Cl)nc(c1)Br 1P001PU1 [0,0,0,0,0,1|3,0,0]=4 893 B9R1.34 Cc1cc(Cl)nc(c1)Cl 1P003GJN [0,0,0,0,0,1|3,0,0]=4 894 B9R1.34 Cc1cc(Cl)nc(n1)C 1P0034FS [0,0,0,0,0,1|2,0,0]=3 895 B9R1.34 Cc1cc(Cl)nc(n1)Cl 1P0033FS [0,0,0,0,0,1|3,0,0]=4 896 B9R1.34 Cc1cc(Cl)nc(n1)N 1P003GVM [0,0,0,0,0,1|3,0,0]=4 897 B9R1.34 Cc1cc(Cl)nc(n1)[O-] 1P0281SQ [0,0,0,0,0,1|3,0,0]=4 898 B9R1.34 Cc1cc(F)nc(c1)Br 1P0022N8 [0,0,0,0,0,1|3,0,0]=4 899 B9R1.34 Cc1cc(F)nc(n1)C 1P00DC8A [0,0,0,0,0,1|2,0,0]=3 900 B9R1.34 Cc1cc(F)nc(n1)Cl 1P027UEP [0,0,0,0,0,1|3,0,0]=4 901 B9R1.34 Cc1cc(F)nc(n1)F 1P00FGJS [0,0,0,0,0,1|3,0,0]=4 902 B9R1.34 Cc1cc(F)nc(n1)N 1P00ANEM [0,0,0,0,0,1|3,0,0]=4 903 B9R1.34 Cc1cc(N)nc(c1)Br 1P0038WY [0,0,0,0,0,1|3,0,0]=4 904 B9R1.34 Cc1cc(N)nc(c1)Cl 1P006VPW [0,0,0,0,0,1|3,0,0]=4 905 B9R1.34 Cc1cc(N)nc(c1)F 1P01DH70 [0,0,0,0,0,1|3,0,0]=4 906 B9R1.34 Cc1cc(N)nc(c1)N 1P00C5PT [0,0,0,0,0,1|3,0,0]=4 907 B9R1.34 Cc1cc(N)nc(n1)C 1P003GMI [0,0,0,0,0,1|2,0,0]=3 908 B9R1.34 Cc1cc(N)nc(n1)Cl 1P001J41 [0,0,0,0,0,1|3,0,0]=4 909 B9R1.34 Cc1cc(N)nc(n1)N 1P002793 [0,0,0,0,0,1|3,0,0]=4 910 B9R1.34 Cc1cc(N)nc(n1)N 1P01EKIZ [0,0,0,0,0,1|3,0,0]=4 911 B9R1.34 Cc1cc(N)nc(n1)S 1P01DNV3 [0,0,0,0,0,1|3,0,0]=4 912 B9R1.34 Cc1cc(O)nc(c1)Cl 1P01KL71 [0,0,0,0,0,1|3,0,0]=4 913 B9R1.34 Cc1cc(O)nc(n1)C 1P00FACV [0,0,0,0,0,1|2,0,0]=3 914 B9R1.34 Cc1cc(O)nc(n1)Cl 1P00EYET [0,0,0,0,0,1|3,0,0]=4 915 B9R1.34 Cc1cc(O)nc(n1)N 1P0033K0 [0,0,0,0,0,1|3,0,0]=4 916 B9R1.34 Cc1cc(O)nc(n1)O 1P0033G5 [0,0,0,0,0,1|3,0,0]=4 917 B9R1.34 Cc1cc(O)nc(n1)S 1P0034U3 [0,0,0,0,0,1|3,0,0]=4 918 B9R1.34 Cc1cc(S)nc(n1)C 1P00EYEB [0,0,0,0,0,1|2,0,0]=3 919 B9R1.34 Cc1cc(S)nc(n1)N 1P00EEE4 [0,0,0,0,0,1|3,0,0]=4 920 B9R1.34 Cc1nc(C)nc(n1)C 1P0036XG [0,0,0,0,0,1|1,0,0]=2 921 B9R1.34 Cc1nc(C)nc(n1)Cl 1P01KKQA [0,0,0,0,0,1|2,0,0]=3 922 B9R1.34 Cc1nc(C)nc(n1)N 1P01DZLQ [0,0,0,0,0,1|2,0,0]=3 923 B9R1.34 Cc1nc(Cl)nc(n1)Cl 1P002B7C [0,0,0,0,0,1|3,0,0]=4 924 B9R1.34 Cc1nc(N)[nH]c(=O)n1 1P001UN4 [0,0,0,0,0,1|3,0,0]=4 925 B9R1.34 Cc1nc(N)nc(n1)Cl 1P00JED5 [0,0,0,0,0,1|3,0,0]=4 926 B9R1.34 Cc1nc(N)nc(n1)N 1P003G5U [0,0,0,0,0,1|3,0,0]=4 927 B9R1.34 Cc1nc(N)nc(n1)S 1P00BX2J [0,0,0,0,0,1|3,0,0]=4 928 B9R1.34 Cc1oc(C)cc(=O)c1 1P0002DO [0,0,0,0,0,1|2,0,0]=3 929 B9R1.34 Cc1oc(C)cc(=S)c1 1P0002DN [0,0,0,0,0,1|2,0,0]=3 930 B9R1.34 Cc1oc(O)cc(=O)c1 1P005X5O [0,0,0,0,0,1|3,0,0]=4 931 B9R1.34 Clc1cc(C)nc(c1)C 1P003LJJ [0,0,0,0,0,1|2,0,0]=3 932 B9R1.34 Clc1cc(C)nc(c1)Cl 1P003G7L [0,0,0,0,0,1|3,0,0]=4 933 B9R1.34 Clc1cc(C)nc(c1)F 1P000JQC [0,0,0,0,0,1|3,0,0]=4 934 B9R1.34 Clc1cc(Cl)nc(n1)C 1P00266O [0,0,0,0,0,1|3,0,0]=4 935 B9R1.34 Fc1cc(C)nc(c1)Br 1P01UQI9 [0,0,0,0,0,1|3,0,0]=4 936 B9R1.34 Fc1cc(C)nc(c1)C 1P00CFFD [0,0,0,0,0,1|2,0,0]=3 937 B9R1.34 Fc1cc(C)nc(c1)F 1P008J9J [0,0,0,0,0,1|3,0,0]=4 938 B9R1.34 Fc1cc(Cl)nc(n1)C 1P0283V1 [0,0,0,0,0,1|3,0,0]=4 939 B9R1.34 Fc1cc(F)nc(n1)C 1P00B6X0 [0,0,0,0,0,1|3,0,0]=4 940 B9R1.34 Ic1cc(C)nc(c1)Cl 1P00HHDV [0,0,0,0,0,1|3,0,0]=4 941 B9R1.34 Ic1cc(C)nc(c1)F 1P0033RP [0,0,0,0,0,1|3,0,0]=4 942 B9R1.34 Ic1cc(I)nc(n1)C 1P006O0S [0,0,0,0,0,1|3,0,0]=4 943 B9R1.34 Nc1cc(Br)nc(n1)C 1P000CA3 [0,0,0,0,0,1|3,0,0]=4 944 B9R1.34 Nc1cc(C)[nH]c(=O)n1 1P01A4RX [0,0,0,0,0,1|3,0,0]=4 945 B9R1.34 Nc1cc(C)nc(c1)Br 1P005CTE [0,0,0,0,0,1|3,0,0]=4 946 B9R1.34 Nc1cc(C)nc(c1)C 1P003GMG [0,0,0,0,0,1|2,0,0]=3 947 B9R1.34 Nc1cc(C)nc(c1)Cl 1P0054E3 [0,0,0,0,0,1|3,0,0]=4 948 B9R1.34 Nc1cc(C)nc(c1)F 1P001TEU [0,0,0,0,0,1|3,0,0]=4 949 B9R1.34 Nc1cc(C)nc(c1)O 1P01KL0X [0,0,0,0,0,1|3,0,0]=4 950 B9R1.34 Nc1cc(C)oc(=O)c1 1P00AI4Y [0,0,0,0,0,1|3,0,0]=4 951 B9R1.34 Nc1cc(Cl)nc(n1)C 1P0020I7 [0,0,0,0,0,1|3,0,0]=4 952 B9R1.34 Nc1cc(F)nc(n1)C 1P00B6TT [0,0,0,0,0,1|3,0,0]=4 953 B9R1.34 Nc1cc(I)nc(n1)C 1P005ZOM [0,0,0,0,0,1|3,0,0]=4 954 B9R1.34 Nc1cc(N)nc(n1)C 1P002B3J [0,0,0,0,0,1|3,0,0]=4 955 B9R1.34 Nc1cc(N)nc(n1)C 1P028Q8D [0,0,0,0,0,1|3,0,0]=4 956 B9R1.34 Nc1cc(O)nc(n1)C 1P003L72 [0,0,0,0,0,1|3,0,0]=4 957 B9R1.34 Nc1cc(O)nc(n1)C 1P008PX1 [0,0,0,0,0,1|3,0,0]=4 958 B9R1.34 Nc1cc(O)nc(n1)C 1P00IMT3 [0,0,0,0,0,1|3,0,0]=4 959 B9R1.34 O=C1CC(=CC(=O)O1)C 1P00IC51 [0,0,0,0,0,1|3,0,0]=4 960 B9R1.34 O=c1cc(Cl)[nH]c(n1)C 1P0021H6 [0,0,0,0,0,1|3,0,0]=4 961 B9R1.34 O=c1cc(O)[nH]c(n1)C 1P000J5H [0,0,0,0,0,1|3,0,0]=4 962 B9R1.34 OC1=CC(=NC(=O)C1)C 1P001QHF [0,0,0,0,0,1|3,0,0]=4 963 B9R1.34 Oc1cc(C)nc(c1)C 1P0038BK [0,0,0,0,0,1|2,0,0]=3 964 B9R1.34 Oc1cc(C)nc(c1)O 1P00FGTY [0,0,0,0,0,1|3,0,0]=4 965 B9R1.34 Oc1cc(C)oc(=O)c1 1P0034IO [0,0,0,0,0,1|3,0,0]=4 966 B9R1.34 Oc1cc(Cl)nc(n1)C 1P027ZZ0 [0,0,0,0,0,1|3,0,0]=4 967 B9R1.34 Oc1cc(O)nc(n1)C 1P003I71 [0,0,0,0,0,1|3,0,0]=4 968 B9R1.34 [O-]c1cc(C)nc(n1)Cl 1P01FJ60 [0,0,0,0,0,1|3,0,0]=4 969 B9R1.69 Brc1ccc(c(c1)C)C 1P003828 [0,0,0,0,0,1|3,0,0]=4 970 B9R1.69 Brc1ccc(c(n1)Br)C 1P00H1GW [0,0,0,0,0,1|3,0,0]=4 971 B9R1.69 Brc1ccc(c(n1)C)Br 1P003J6T [0,0,0,0,0,1|3,0,0]=4 972 B9R1.69 Brc1ccc(c(n1)C)C 1P00IKOZ [0,0,0,0,0,1|2,0,0]=3 973 B9R1.69 Brc1ccc(c(n1)C)Cl 1P005XXB [0,0,0,0,0,1|3,0,0]=4 974 B9R1.69 Brc1ccc(c(n1)C)F 1P00I7U7 [0,0,0,0,0,1|3,0,0]=4 975 B9R1.69 Brc1ccc(c(n1)C)N 1P000T17 [0,0,0,0,0,1|3,0,0]=4 976 B9R1.69 Brc1ccc(c(n1)C)O 1P008YA4 [0,0,0,0,0,1|3,0,0]=4 977 B9R1.69 Brc1ccc(c(n1)Cl)C 1P00K7SM [0,0,0,0,0,1|3,0,0]=4 978 B9R1.69 Brc1ccc(c(n1)F)C 1P01BG32 [0,0,0,0,0,1|3,0,0]=4 979 B9R1.69 Brc1ccc(c(n1)N)C 1P003AHY [0,0,0,0,0,1|3,0,0]=4 980 B9R1.69 Brc1ccc(c(n1)O)C 1P01UOVT [0,0,0,0,0,1|3,0,0]=4 981 B9R1.69 Brc1cnc(c(c1)Br)C 1P00I859 [0,0,0,0,0,1|3,0,0]=4 982 B9R1.69 Brc1cnc(c(c1)C)Br 1P003GDD [0,0,0,0,0,1|3,0,0]=4 983 B9R1.69 Brc1cnc(c(c1)C)C 1P0038LA [0,0,0,0,0,1|2,0,0]=3 984 B9R1.69 Brc1cnc(c(c1)C)Cl 1P002Y9Z [0,0,0,0,0,1|3,0,0]=4 985 B9R1.69 Brc1cnc(c(c1)C)F 1P002YIG [0,0,0,0,0,1|3,0,0]=4 986 B9R1.69 Brc1cnc(c(c1)C)I 1P00I7VP [0,0,0,0,0,1|3,0,0]=4 987 B9R1.69 Brc1cnc(c(c1)C)N 1P0033K5 [0,0,0,0,0,1|3,0,0]=4 988 B9R1.69 Brc1cnc(c(c1)Cl)C 1P003MYU [0,0,0,0,0,1|3,0,0]=4 989 B9R1.69 Brc1cnc(c(c1)F)C 1P000CJ4 [0,0,0,0,0,1|3,0,0]=4 990 B9R1.69 Brc1cnc(c(c1)I)C 1P01Q51J [0,0,0,0,0,1|3,0,0]=4 991 B9R1.69 Brc1cnc(c(c1)N)C 1P0034OF [0,0,0,0,0,1|3,0,0]=4 992 B9R1.69 Brc1cnc(c(c1)O)C 1P00H1EF [0,0,0,0,0,1|3,0,0]=4 993 B9R1.69 Brc1cnc(c(n1)C)Br 1P000RHH [0,0,0,0,0,1|3,0,0]=4 994 B9R1.69 Brc1cnc(c(n1)C)C 1P007B11 [0,0,0,0,0,1|2,0,0]=3 995 B9R1.69 Brc1cnc(c(n1)C)Cl 1P003AIP [0,0,0,0,0,1|3,0,0]=4 996 B9R1.69 Brc1cnc(c(n1)C)I 1P01XFIW [0,0,0,0,0,1|3,0,0]=4 997 B9R1.69 Brc1cnc(c(n1)C)N 1P005MZ2 [0,0,0,0,0,1|3,0,0]=4 998 B9R1.69 Brc1ncc(c(c1)Br)C 1P005CTF [0,0,0,0,0,1|3,0,0]=4 999 B9R1.69 Brc1ncc(c(c1)C)Br 1P0033GO [0,0,0,0,0,1|3,0,0]=4 1000 B9R1.69 Brc1ncc(c(c1)C)C 1P006L7O [0,0,0,0,0,1|2,0,0]=3 1001 B9R1.69 Brc1ncc(c(c1)C)Cl 1P0036QZ [0,0,0,0,0,1|3,0,0]=4 1002 B9R1.69 Brc1ncc(c(c1)C)F 1P0036R0 [0,0,0,0,0,1|3,0,0]=4 1003 B9R1.69 Brc1ncc(c(c1)C)I 1P003H6L [0,0,0,0,0,1|3,0,0]=4 1004 B9R1.69 Brc1ncc(c(c1)C)N 1P001OZW [0,0,0,0,0,1|3,0,0]=4 1005 B9R1.69 Brc1ncc(c(c1)C)O 1P009YU8 [0,0,0,0,0,1|3,0,0]=4 1006 B9R1.69 Brc1ncc(c(c1)Cl)C 1P007HFE [0,0,0,0,0,1|3,0,0]=4 1007 B9R1.69 Brc1ncc(c(c1)F)C 1P01KLHG [0,0,0,0,0,1|3,0,0]=4 1008 B9R1.69 Brc1ncc(c(c1)I)C 1P000JSP [0,0,0,0,0,1|3,0,0]=4 1009 B9R1.69 Brc1ncc(c(c1)N)C 1P005NQF [0,0,0,0,0,1|3,0,0]=4 1010 B9R1.69 Brc1ncc(c(c1)O)C 1P000JS1 [0,0,0,0,0,1|3,0,0]=4 1011 B9R1.69 Brc1ncc(c(n1)Br)C 1P00E7U7 [0,0,0,0,0,1|3,0,0]=4 1012 B9R1.69 Brc1ncc(c(n1)C)Br 1P00AMGN [0,0,0,0,0,1|3,0,0]=4 1013 B9R1.69 Brc1ncc(c(n1)C)F 1P0022IO [0,0,0,0,0,1|3,0,0]=4 1014 B9R1.69 Brc1nnc(c(c1)C)Br 1P00IG2Y [0,0,0,0,0,1|3,0,0]=4 1015 B9R1.69 Brc1nnc(c(c1)C)C 1P01DVZL [0,0,0,0,0,1|2,0,0]=3 1016 B9R1.69 Brc1nnc(c(c1)C)Cl 1P01EEIB [0,0,0,0,0,1|3,0,0]=4 1017 B9R1.69 Cc1c(Br)cnc(=O)[nH]1 1P0066GF [0,0,0,0,0,1|3,0,0]=4 1018 B9R1.69 Cc1c(C)ccc(=O)[nH]1 1P007MBC [0,0,0,0,0,1|2,0,1]=4 1019 B9R1.69 Cc1c(C)ncc(=O)[nH]1 1P00ELSX [0,0,0,0,0,1|2,0,0]=3 1020 B9R1.69 Cc1c[nH]c(=O)c(n1)Br 1P000RTI [0,0,0,0,0,1|3,0,0]=4 1021 B9R1.69 Cc1c[nH]c(=O)c(n1)Cl 1P00IG2W [0,0,0,0,0,1|3,0,0]=4 1022 B9R1.69 Cc1c[nH]c(=O)c(n1)N 1P00H16G [0,0,0,0,0,1|3,0,0]=4 1023 B9R1.69 Cc1c[nH]c(=O)nc1N 1P003L6U [0,0,0,0,0,1|3,0,0]=4 1024 B9R1.69 Cc1c[nH]c(=O)nc1N 1P00IACF [0,0,0,0,0,1|3,0,0]=4 1025 B9R1.69 Cc1cc(=O)[nH]nc1C 1P0001FV [0,0,0,0,0,1|2,0,0]=3 1026 B9R1.69 Cc1cc(Br)c(=O)[nH]n1 1P00IJKG [0,0,0,0,0,1|3,0,0]=4 1027 B9R1.69 Cc1cc(C)c[nH]c1=O 1P01CAVC [0,0,0,0,0,1|2,0,1]=4 1028 B9R1.69 Cc1cc(C)c[nH]c1=S 1P00AI78 [0,0,0,0,0,1|2,0,1]=4 1029 B9R1.69 Cc1cc(Cl)n[nH]c1=O 1P00280F [0,0,0,0,0,1|3,0,0]=4 1030 B9R1.69 Cc1cc(N)c(=O)[nH]n1 1P007ZUG [0,0,0,0,0,1|3,0,0]=4 1031 B9R1.69 Cc1ccc(c(c1)Br)C 1P003H9M [0,0,0,0,0,1|3,0,0]=4 1032 B9R1.69 Cc1ccc(c(c1)C)Br 1P003GB4 [0,0,0,0,0,1|3,0,0]=4 1033 B9R1.69 Cc1ccc(c(c1)C)C 1P003DRZ [0,0,0,0,0,1|2,0,0]=3 1034 B9R1.69 Cc1ccc(c(c1)C)Cl 1P00IJ5B [0,0,0,0,0,1|3,0,0]=4 1035 B9R1.69 Cc1ccc(c(c1)C)F 1P0070HN [0,0,0,0,0,1|3,0,0]=4 1036 B9R1.69 Cc1ccc(c(c1)C)I 1P00397C [0,0,0,0,0,1|3,0,0]=4 1037 B9R1.69 Cc1ccc(c(c1)C)N 1P0038ZN [0,0,0,0,0,1|3,0,0]=4 1038 B9R1.69 Cc1ccc(c(c1)C)N 1P003GAX [0,0,0,0,0,1|3,0,0]=4 1039 B9R1.69 Cc1ccc(c(c1)C)O 1P0084MS [0,0,0,0,0,1|3,0,0]=4 1040 B9R1.69 Cc1ccc(c(c1)C)S 1P0033GE [0,0,0,0,0,1|3,0,0]=4 1041 B9R1.69 Cc1ccc(c(c1)Cl)C 1P003HB6 [0,0,0,0,0,1|3,0,0]=4 1042 B9R1.69 Cc1ccc(c(c1)F)C 1P00FEJW [0,0,0,0,0,1|3,0,0]=4 1043 B9R1.69 Cc1ccc(c(c1)I)C 1P003E5F [0,0,0,0,0,1|3,0,0]=4 1044 B9R1.69 Cc1ccc(c(c1)N)C 1P003GGB [0,0,0,0,0,1|3,0,0]=4 1045 B9R1.69 Cc1ccc(c(c1)N)C 1P00DHID [0,0,0,0,0,1|3,0,0]=4 1046 B9R1.69 Cc1ccc(c(c1)O)C 1P005XF1 [0,0,0,0,0,1|3,0,0]=4 1047 B9R1.69 Cc1ccc(c(c1)S)C 1P003GGD [0,0,0,0,0,1|3,0,0]=4 1048 B9R1.69 Cc1ccc(c(n1)Br)Br 1P002SA5 [0,0,0,0,0,1|3,0,0]=4 1049 B9R1.69 Cc1ccc(c(n1)Br)C 1P00I85A [0,0,0,0,0,1|2,0,0]=3 1050 B9R1.69 Cc1ccc(c(n1)Br)Cl 1P00HGG0 [0,0,0,0,0,1|3,0,0]=4 1051 B9R1.69 Cc1ccc(c(n1)Br)F 1P0033LN [0,0,0,0,0,1|3,0,0]=4 1052 B9R1.69 Cc1ccc(c(n1)Br)I 1P01K52X [0,0,0,0,0,1|3,0,0]=4 1053 B9R1.69 Cc1ccc(c(n1)Br)N 1P000T13 [0,0,0,0,0,1|3,0,0]=4 1054 B9R1.69 Cc1ccc(c(n1)Br)O 1P002MAW [0,0,0,0,0,1|3,0,0]=4 1055 B9R1.69 Cc1ccc(c(n1)C)Br 1P00399L [0,0,0,0,0,1|2,0,0]=3 1056 B9R1.69 Cc1ccc(c(n1)C)N 1P00C05N [0,0,0,0,0,1|2,0,0]=3 1057 B9R1.69 Cc1ccc(c(n1)C)O 1P003GM4 [0,0,0,0,0,1|2,0,0]=3 1058 B9R1.69 Cc1ccc(c(n1)Cl)Br 1P00383N [0,0,0,0,0,1|3,0,0]=4 1059 B9R1.69 Cc1ccc(c(n1)Cl)C 1P00FFTD [0,0,0,0,0,1|2,0,0]=3 1060 B9R1.69 Cc1ccc(c(n1)Cl)Cl 1P003FXZ [0,0,0,0,0,1|3,0,0]=4 1061 B9R1.69 Cc1ccc(c(n1)Cl)F 1P0036AW [0,0,0,0,0,1|3,0,0]=4 1062 B9R1.69 Cc1ccc(c(n1)Cl)N 1P00BXUE [0,0,0,0,0,1|3,0,0]=4 1063 B9R1.69 Cc1ccc(c(n1)Cl)N 1P01A1XK [0,0,0,0,0,1|3,0,0]=4 1064 B9R1.69 Cc1ccc(c(n1)Cl)O 1P00C7KI [0,0,0,0,0,1|3,0,0]=4 1065 B9R1.69 Cc1ccc(c(n1)Cl)[S-] 1P0283DD [0,0,0,0,0,1|3,0,0]=4 1066 B9R1.69 Cc1ccc(c(n1)F)Br 1P00I7UX [0,0,0,0,0,1|3,0,0]=4 1067 B9R1.69 Cc1ccc(c(n1)F)Cl 1P00HHDN [0,0,0,0,0,1|3,0,0]=4 1068 B9R1.69 Cc1ccc(c(n1)F)F 1P00HHDO [0,0,0,0,0,1|3,0,0]=4 1069 B9R1.69 Cc1ccc(c(n1)F)I 1P004F34 [0,0,0,0,0,1|3,0,0]=4 1070 B9R1.69 Cc1ccc(c(n1)F)N 1P00I7U6 [0,0,0,0,0,1|3,0,0]=4 1071 B9R1.69 Cc1ccc(c(n1)F)O 1P002KMK [0,0,0,0,0,1|3,0,0]=4 1072 B9R1.69 Cc1ccc(c(n1)I)Br 1P0282T9 [0,0,0,0,0,1|3,0,0]=4 1073 B9R1.69 Cc1ccc(c(n1)I)N 1P00A0SK [0,0,0,0,0,1|3,0,0]=4 1074 B9R1.69 Cc1ccc(c(n1)I)O 1P002MAX [0,0,0,0,0,1|3,0,0]=4 1075 B9R1.69 Cc1ccc(c(n1)N)Br 1P000T18 [0,0,0,0,0,1|3,0,0]=4 1076 B9R1.69 Cc1ccc(c(n1)N)C 1P0036XS [0,0,0,0,0,1|2,0,0]=3 1077 B9R1.69 Cc1ccc(c(n1)N)F 1P00HGEG [0,0,0,0,0,1|3,0,0]=4 1078 B9R1.69 Cc1ccc(c(n1)N)F 1P027TZX [0,0,0,0,0,1|3,0,0]=4 1079 B9R1.69 Cc1ccc(c(n1)N)I 1P003GUD [0,0,0,0,0,1|3,0,0]=4 1080 B9R1.69 Cc1ccc(c(n1)N)N 1P003NRN [0,0,0,0,0,1|3,0,0]=4 1081 B9R1.69 Cc1ccc(c(n1)N)N 1P00G3UQ [0,0,0,0,0,1|3,0,0]=4 1082 B9R1.69 Cc1ccc(c(n1)N)O 1P0029DI [0,0,0,0,0,1|3,0,0]=4 1083 B9R1.69 Cc1ccc(c(n1)O)N 1P00DEEK [0,0,0,0,0,1|3,0,0]=4 1084 B9R1.69 Cc1ccc(c(n1)S)Br 1P027WKI [0,0,0,0,0,1|3,0,0]=4 1085 B9R1.69 Cc1cnc(c(=O)[nH]1)C 1P001TZO [0,0,0,0,0,1|2,0,0]=3 1086 B9R1.69 Cc1cnc(c(=O)[nH]1)N 1P00I8QX [0,0,0,0,0,1|3,0,0]=4 1087 B9R1.69 Cc1cnc(c(c1)Br)Br 1P002Y9L [0,0,0,0,0,1|3,0,0]=4 1088 B9R1.69 Cc1cnc(c(c1)Br)C 1P00ACIW [0,0,0,0,0,1|2,0,0]=3 1089 B9R1.69 Cc1cnc(c(c1)Br)Cl 1P003HBY [0,0,0,0,0,1|3,0,0]=4 1090 B9R1.69 Cc1cnc(c(c1)Br)F 1P003JH3 [0,0,0,0,0,1|3,0,0]=4 1091 B9R1.69 Cc1cnc(c(c1)Br)I 1P009Y0E [0,0,0,0,0,1|3,0,0]=4 1092 B9R1.69 Cc1cnc(c(c1)Br)N 1P003NJB [0,0,0,0,0,1|3,0,0]=4 1093 B9R1.69 Cc1cnc(c(c1)Br)O 1P003JH6 [0,0,0,0,0,1|3,0,0]=4 1094 B9R1.69 Cc1cnc(c(c1)C)Br 1P003H37 [0,0,0,0,0,1|2,0,0]=3 1095 B9R1.69 Cc1cnc(c(c1)C)C 1P0033DW [0,0,0,0,0,1|1,0,0]=2 1096 B9R1.69 Cc1cnc(c(c1)C)Cl 1P00FCS9 [0,0,0,0,0,1|2,0,0]=3 1097 B9R1.69 Cc1cnc(c(c1)C)F 1P008YA5 [0,0,0,0,0,1|2,0,0]=3 1098 B9R1.69 Cc1cnc(c(c1)C)I 1P00721G [0,0,0,0,0,1|2,0,0]=3 1099 B9R1.69 Cc1cnc(c(c1)C)N 1P0033JL [0,0,0,0,0,1|2,0,0]=3 1100 B9R1.69 Cc1cnc(c(c1)C)N 1P00J2ZQ [0,0,0,0,0,1|2,0,0]=3 1101 B9R1.69 Cc1cnc(c(c1)Cl)Br 1P003A01 [0,0,0,0,0,1|3,0,0]=4 1102 B9R1.69 Cc1cnc(c(c1)Cl)Cl 1P003GDP [0,0,0,0,0,1|3,0,0]=4 1103 B9R1.69 Cc1cnc(c(c1)Cl)F 1P003ARZ [0,0,0,0,0,1|3,0,0]=4 1104 B9R1.69 Cc1cnc(c(c1)Cl)N 1P003BMQ [0,0,0,0,0,1|3,0,0]=4 1105 B9R1.69 Cc1cnc(c(c1)F)Br 1P0038HE [0,0,0,0,0,1|3,0,0]=4 1106 B9R1.69 Cc1cnc(c(c1)F)Cl 1P003HC2 [0,0,0,0,0,1|3,0,0]=4 1107 B9R1.69 Cc1cnc(c(c1)F)F 1P000JUT [0,0,0,0,0,1|3,0,0]=4 1108 B9R1.69 Cc1cnc(c(c1)F)N 1P009YMR [0,0,0,0,0,1|3,0,0]=4 1109 B9R1.69 Cc1cnc(c(c1)I)Br 1P003H3L [0,0,0,0,0,1|3,0,0]=4 1110 B9R1.69 Cc1cnc(c(c1)I)Cl 1P00EDC8 [0,0,0,0,0,1|3,0,0]=4 1111 B9R1.69 Cc1cnc(c(c1)I)F 1P003HPE [0,0,0,0,0,1|3,0,0]=4 1112 B9R1.69 Cc1cnc(c(c1)I)N 1P002LQ7 [0,0,0,0,0,1|3,0,0]=4 1113 B9R1.69 Cc1cnc(c(c1)N)Br 1P00341C [0,0,0,0,0,1|3,0,0]=4 1114 B9R1.69 Cc1cnc(c(c1)N)C 1P00H4Y1 [0,0,0,0,0,1|2,0,0]=3 1115 B9R1.69 Cc1cnc(c(c1)N)C 1P028GXB [0,0,0,0,0,1|2,0,0]=3 1116 B9R1.69 Cc1cnc(c(c1)N)Cl 1P007FD7 [0,0,0,0,0,1|3,0,0]=4 1117 B9R1.69 Cc1cnc(c(c1)N)F 1P001ZDA [0,0,0,0,0,1|3,0,0]=4 1118 B9R1.69 Cc1cnc(c(c1)N)N 1P002PC5 [0,0,0,0,0,1|3,0,0]=4 1119 B9R1.69 Cc1cnc(c(c1)N)N 1P027XYR [0,0,0,0,0,1|3,0,0]=4 1120 B9R1.69 Cc1cnc(c(c1)O)Br 1P00029E [0,0,0,0,0,1|3,0,0]=4 1121 B9R1.69 Cc1cnc(c(c1)O)C 1P00AKXZ [0,0,0,0,0,1|2,0,0]=3 1122 B9R1.69 Cc1cnc(c(c1)O)Cl 1P006RPN [0,0,0,0,0,1|3,0,0]=4 1123 B9R1.69 Cc1cnc(c(c1)O)F 1P008WFV [0,0,0,0,0,1|3,0,0]=4 1124 B9R1.69 Cc1cnc(c(c1)O)N 1P0029DH [0,0,0,0,0,1|3,0,0]=4 1125 B9R1.69 Cc1cnc(c(n1)Br)Cl 1P009G5P [0,0,0,0,0,1|3,0,0]=4 1126 B9R1.69 Cc1cnc(c(n1)Br)N 1P005MZ3 [0,0,0,0,0,1|3,0,0]=4 1127 B9R1.69 Cc1cnc(c(n1)C)C 1P001EOP [0,0,0,0,0,1|1,0,0]=2 1128 B9R1.69 Cc1cnc(c(n1)C)Cl 1P00BZZ5 [0,0,0,0,0,1|2,0,0]=3 1129 B9R1.69 Cc1cnc(c(n1)C)I 1P01K0L4 [0,0,0,0,0,1|2,0,0]=3 1130 B9R1.69 Cc1cnc(c(n1)C)N 1P006EXC [0,0,0,0,0,1|2,0,0]=3 1131 B9R1.69 Cc1cnc(c(n1)C)O 1P0036KJ [0,0,0,0,0,1|2,0,0]=3 1132 B9R1.69 Cc1cnc(c(n1)Cl)C 1P003JN7 [0,0,0,0,0,1|2,0,0]=3 1133 B9R1.69 Cc1cnc(c(n1)Cl)Cl 1P00CLNW [0,0,0,0,0,1|3,0,0]=4 1134 B9R1.69 Cc1cnc(c(n1)Cl)N 1P003WUL [0,0,0,0,0,1|3,0,0]=4 1135 B9R1.69 Cc1cnc(c(n1)F)C 1P01BTXX [0,0,0,0,0,1|2,0,0]=3 1136 B9R1.69 Cc1cnc(c(n1)I)C 1P00EIVT [0,0,0,0,0,1|2,0,0]=3 1137 B9R1.69 Cc1cnc(c(n1)N)Br 1P01FM51 [0,0,0,0,0,1|3,0,0]=4 1138 B9R1.69 Cc1cnc(c(n1)N)C 1P000WG0 [0,0,0,0,0,1|2,0,0]=3 1139 B9R1.69 Cc1cnc(c(n1)N)Cl 1P00H1H9 [0,0,0,0,0,1|3,0,0]=4 1140 B9R1.69 Cc1cnc(c(n1)N)N 1P00I6MA [0,0,0,0,0,1|3,0,0]=4 1141 B9R1.69 Cc1cnn(c(=O)c1)C 1P01BOR1 [0,0,0,0,0,1|3,0,0]=4 1142 B9R1.69 Cc1n[nH]c(=O)[nH]c1=O 1P00GSV2 [0,0,0,0,0,1|3,0,0]=4 1143 B9R1.69 Cc1n[nH]c(=S)[nH]c1=O 1P0034SF [0,0,0,0,0,1|3,0,0]=4 1144 B9R1.69 Cc1nc(Br)c[nH]c1=O 1P000159 [0,0,0,0,0,1|3,0,0]=4 1145 B9R1.69 Cc1nc(Cl)c[nH]c1=O 1P00853S [0,0,0,0,0,1|3,0,0]=4 1146 B9R1.69 Cc1ncc(c(=O)[nH]1)Br 1P001XXP [0,0,0,0,0,1|3,0,0]=4 1147 B9R1.69 Cc1ncc(c(=O)[nH]1)C 1P00313P [0,0,0,0,0,1|2,0,0]=3 1148 B9R1.69 Cc1ncc(c(=O)[nH]1)I 1P009540 [0,0,0,0,0,1|3,0,0]=4 1149 B9R1.69 Cc1ncc(c(c1)Br)Br 1P00IN65 [0,0,0,0,0,1|3,0,0]=4 1150 B9R1.69 Cc1ncc(c(c1)Br)C 1P0038P0 [0,0,0,0,0,1|2,0,0]=3 1151 B9R1.69 Cc1ncc(c(c1)Br)Cl 1P009MEJ [0,0,0,0,0,1|3,0,0]=4 1152 B9R1.69 Cc1ncc(c(c1)Br)Cl 1P00IM5A [0,0,0,0,0,1|3,0,0]=4 1153 B9R1.69 Cc1ncc(c(c1)Br)F 1P003AJU [0,0,0,0,0,1|3,0,0]=4 1154 B9R1.69 Cc1ncc(c(c1)Br)N 1P007ELG [0,0,0,0,0,1|3,0,0]=4 1155 B9R1.69 Cc1ncc(c(c1)Br)O 1P000OV7 [0,0,0,0,0,1|3,0,0]=4 1156 B9R1.69 Cc1ncc(c(c1)C)Br 1P00C4P0 [0,0,0,0,0,1|2,0,0]=3 1157 B9R1.69 Cc1ncc(c(c1)C)N 1P000J0K [0,0,0,0,0,1|2,0,0]=3 1158 B9R1.69 Cc1ncc(c(c1)Cl)Br 1P000294 [0,0,0,0,0,1|3,0,0]=4 1159 B9R1.69 Cc1ncc(c(c1)Cl)C 1P007PEZ [0,0,0,0,0,1|2,0,0]=3 1160 B9R1.69 Cc1ncc(c(c1)Cl)F 1P00ACKD [0,0,0,0,0,1|3,0,0]=4 1161 B9R1.69 Cc1ncc(c(c1)Cl)N 1P01DL3Y [0,0,0,0,0,1|3,0,0]=4 1162 B9R1.69 Cc1ncc(c(c1)I)F 1P02235K [0,0,0,0,0,1|3,0,0]=4 1163 B9R1.69 Cc1ncc(c(c1)N)Br 1P007HFV [0,0,0,0,0,1|3,0,0]=4 1164 B9R1.69 Cc1ncc(c(c1)N)C 1P00BGL8 [0,0,0,0,0,1|2,0,0]=3 1165 B9R1.69 Cc1ncc(c(c1)N)Cl 1P003L6P [0,0,0,0,0,1|3,0,0]=4 1166 B9R1.69 Cc1ncc(c(c1)N)F 1P003L6Q [0,0,0,0,0,1|3,0,0]=4 1167 B9R1.69 Cc1ncc(c(c1)N)I 1P004RX1 [0,0,0,0,0,1|3,0,0]=4 1168 B9R1.69 Cc1ncc(c(c1)N)N 1P004UDT [0,0,0,0,0,1|3,0,0]=4 1169 B9R1.69 Cc1ncc(c(c1)N)O 1P028L7I [0,0,0,0,0,1|3,0,0]=4 1170 B9R1.69 Cc1ncc(c(c1)O)Br 1P000P9H [0,0,0,0,0,1|3,0,0]=4 1171 B9R1.69 Cc1ncc(c(n1)Br)C 1P0287H2 [0,0,0,0,0,1|2,0,0]=3 1172 B9R1.69 Cc1ncc(c(n1)C)Br 1P00698R [0,0,0,0,0,1|2,0,0]=3 1173 B9R1.69 Cc1ncc(c(n1)C)Cl 1P005VO7 [0,0,0,0,0,1|2,0,0]=3 1174 B9R1.69 Cc1ncc(c(n1)C)N 1P003GAV [0,0,0,0,0,1|2,0,0]=3 1175 B9R1.69 Cc1ncc(c(n1)C)O 1P00C794 [0,0,0,0,0,1|2,0,0]=3 1176 B9R1.69 Cc1ncc(c(n1)Cl)Br 1P004UD4 [0,0,0,0,0,1|3,0,0]=4 1177 B9R1.69 Cc1ncc(c(n1)Cl)C 1P0038WW [0,0,0,0,0,1|2,0,0]=3 1178 B9R1.69 Cc1ncc(c(n1)Cl)Cl 1P007L7K [0,0,0,0,0,1|3,0,0]=4 1179 B9R1.69 Cc1ncc(c(n1)Cl)F 1P0087B4 [0,0,0,0,0,1|3,0,0]=4 1180 B9R1.69 Cc1ncc(c(n1)Cl)I 1P009MKU [0,0,0,0,0,1|3,0,0]=4 1181 B9R1.69 Cc1ncc(c(n1)Cl)N 1P002DJS [0,0,0,0,0,1|3,0,0]=4 1182 B9R1.69 Cc1ncc(c(n1)N)Br 1P00BO3G [0,0,0,0,0,1|3,0,0]=4 1183 B9R1.69 Cc1ncc(c(n1)N)C 1P00FCPN [0,0,0,0,0,1|2,0,0]=3 1184 B9R1.69 Cc1ncc(c(n1)N)Cl 1P0038C1 [0,0,0,0,0,1|3,0,0]=4 1185 B9R1.69 Cc1ncc(c(n1)N)F 1P001H7K [0,0,0,0,0,1|3,0,0]=4 1186 B9R1.69 Cc1ncc(c(n1)O)F 1P006UVM [0,0,0,0,0,1|3,0,0]=4 1187 B9R1.69 Cc1nnc(c(=O)[nH]1)C 1P00J37K [0,0,0,0,0,1|2,0,0]=3 1188 B9R1.69 Cc1nnc(c(c1)Br)Br 1P024VXG [0,0,0,0,0,1|3,0,0]=4 1189 B9R1.69 Cc1nnc(c(c1)Br)C 1P027YP3 [0,0,0,0,0,1|2,0,0]=3 1190 B9R1.69 Cc1nnc(c(c1)C)Cl 1P00B69Q [0,0,0,0,0,1|2,0,0]=3 1191 B9R1.69 Cc1nnc(c(c1)Cl)C 1P028NVU [0,0,0,0,0,1|2,0,0]=3 1192 B9R1.69 Cc1nnc(c(c1)N)C 1P01ADGS [0,0,0,0,0,1|2,0,0]=3 1193 B9R1.69 Cc1nnc(c(c1)N)Cl 1P01C3S7 [0,0,0,0,0,1|3,0,0]=4 1194 B9R1.69 Cc1nnc(c(c1)O)C 1P028PNF [0,0,0,0,0,1|2,0,0]=3 1195 B9R1.69 Clc1ccc(c(c1)C)C 1P003LIM [0,0,0,0,0,1|3,0,0]=4 1196 B9R1.69 Clc1ccc(c(n1)Br)C 1P004T0Y [0,0,0,0,0,1|3,0,0]=4 1197 B9R1.69 Clc1ccc(c(n1)C)Br 1P0011CN [0,0,0,0,0,1|3,0,0]=4 1198 B9R1.69 Clc1ccc(c(n1)C)C 1P005KP3 [0,0,0,0,0,1|2,0,0]=3 1199 B9R1.69 Clc1ccc(c(n1)C)Cl 1P000KQ1 [0,0,0,0,0,1|3,0,0]=4 1200 B9R1.69 Clc1ccc(c(n1)C)F 1P003HF6 [0,0,0,0,0,1|3,0,0]=4 1201 B9R1.69 Clc1ccc(c(n1)C)I 1P002QDI [0,0,0,0,0,1|3,0,0]=4 1202 B9R1.69 Clc1ccc(c(n1)C)N 1P001VHT [0,0,0,0,0,1|3,0,0]=4 1203 B9R1.69 Clc1ccc(c(n1)C)O 1P00BIJ9 [0,0,0,0,0,1|3,0,0]=4 1204 B9R1.69 Clc1ccc(c(n1)Cl)C 1P00EC41 [0,0,0,0,0,1|3,0,0]=4 1205 B9R1.69 Clc1ccc(c(n1)N)C 1P00E6FO [0,0,0,0,0,1|3,0,0]=4 1206 B9R1.69 Clc1ccc(c(n1)N)C 1P027U9E [0,0,0,0,0,1|3,0,0]=4 1207 B9R1.69 Clc1cnc(c(c1)Br)C 1P000VTY [0,0,0,0,0,1|3,0,0]=4 1208 B9R1.69 Clc1cnc(c(c1)C)Br 1P00390W [0,0,0,0,0,1|3,0,0]=4 1209 B9R1.69 Clc1cnc(c(c1)C)Cl 1P00IB2K [0,0,0,0,0,1|3,0,0]=4 1210 B9R1.69 Clc1cnc(c(c1)C)F 1P00I7UY [0,0,0,0,0,1|3,0,0]=4 1211 B9R1.69 Clc1cnc(c(c1)C)N 1P002JC3 [0,0,0,0,0,1|3,0,0]=4 1212 B9R1.69 Clc1cnc(c(c1)C)O 1P00E9D5 [0,0,0,0,0,1|3,0,0]=4 1213 B9R1.69 Clc1cnc(c(c1)N)C 1P005OTL [0,0,0,0,0,1|3,0,0]=4 1214 B9R1.69 Clc1cnc(c(n1)C)Br 1P000RHB [0,0,0,0,0,1|3,0,0]=4 1215 B9R1.69 Clc1cnc(c(n1)C)C 1P00EITX [0,0,0,0,0,1|2,0,0]=3 1216 B9R1.69 Clc1cnc(c(n1)C)Cl 1P0097YM [0,0,0,0,0,1|3,0,0]=4 1217 B9R1.69 Clc1cnc(c(n1)C)I 1P021NB0 [0,0,0,0,0,1|3,0,0]=4 1218 B9R1.69 Clc1cnc(c(n1)C)N 1P0001F6 [0,0,0,0,0,1|3,0,0]=4 1219 B9R1.69 Clc1cnc(c(n1)Cl)C 1P00GVAK [0,0,0,0,0,1|3,0,0]=4 1220 B9R1.69 Clc1ncc(c(=O)[nH]1)C 1P009K9S [0,0,0,0,0,1|3,0,0]=4 1221 B9R1.69 Clc1ncc(c(c1)Br)C 1P0036VB [0,0,0,0,0,1|3,0,0]=4 1222 B9R1.69 Clc1ncc(c(c1)C)Br 1P0033OO [0,0,0,0,0,1|3,0,0]=4 1223 B9R1.69 Clc1ncc(c(c1)C)C 1P00CA9N [0,0,0,0,0,1|2,0,0]=3 1224 B9R1.69 Clc1ncc(c(c1)C)Cl 1P004AIC [0,0,0,0,0,1|3,0,0]=4 1225 B9R1.69 Clc1ncc(c(c1)C)F 1P008C02 [0,0,0,0,0,1|3,0,0]=4 1226 B9R1.69 Clc1ncc(c(c1)C)I 1P00382Q [0,0,0,0,0,1|3,0,0]=4 1227 B9R1.69 Clc1ncc(c(c1)C)N 1P003JDO [0,0,0,0,0,1|3,0,0]=4 1228 B9R1.69 Clc1ncc(c(c1)C)O 1P000JQI [0,0,0,0,0,1|3,0,0]=4 1229 B9R1.69 Clc1ncc(c(c1)Cl)C 1P00E9HW [0,0,0,0,0,1|3,0,0]=4 1230 B9R1.69 Clc1ncc(c(c1)F)C 1P000JRR [0,0,0,0,0,1|3,0,0]=4 1231 B9R1.69 Clc1ncc(c(c1)I)C 1P000Q46 [0,0,0,0,0,1|3,0,0]=4 1232 B9R1.69 Clc1ncc(c(c1)N)C 1P005NQE [0,0,0,0,0,1|3,0,0]=4 1233 B9R1.69 Clc1ncc(c(c1)N)C 1P028TCV [0,0,0,0,0,1|3,0,0]=4 1234 B9R1.69 Clc1ncc(c(c1)O)C 1P009X7Y [0,0,0,0,0,1|3,0,0]=4 1235 B9R1.69 Clc1ncc(c(n1)C)Br 1P00EGBZ [0,0,0,0,0,1|3,0,0]=4 1236 B9R1.69 Clc1ncc(c(n1)C)C 1P00C7EL [0,0,0,0,0,1|2,0,0]=3 1237 B9R1.69 Clc1ncc(c(n1)C)Cl 1P000IUD [0,0,0,0,0,1|3,0,0]=4 1238 B9R1.69 Clc1ncc(c(n1)C)F 1P007N38 [0,0,0,0,0,1|3,0,0]=4 1239 B9R1.69 Clc1ncc(c(n1)C)I 1P028N50 [0,0,0,0,0,1|3,0,0]=4 1240 B9R1.69 Clc1ncc(c(n1)C)N 1P002DJR [0,0,0,0,0,1|3,0,0]=4 1241 B9R1.69 Clc1ncc(c(n1)C)O 1P000MNK [0,0,0,0,0,1|3,0,0]=4 1242 B9R1.69 Clc1ncc(c(n1)Cl)C 1P00266K [0,0,0,0,0,1|3,0,0]=4 1243 B9R1.69 Clc1ncc(c(n1)I)C 1P028XVB [0,0,0,0,0,1|3,0,0]=4 1244 B9R1.69 Clc1ncc(c(n1)N)C 1P001J3Z [0,0,0,0,0,1|3,0,0]=4 1245 B9R1.69 Clc1nnc(c(c1)C)Br 1P01EEJH [0,0,0,0,0,1|3,0,0]=4 1246 B9R1.69 Clc1nnc(c(c1)C)C 1P004LI2 [0,0,0,0,0,1|2,0,0]=3 1247 B9R1.69 Clc1nnc(c(c1)C)Cl 1P002F5L [0,0,0,0,0,1|3,0,0]=4 1248 B9R1.69 Clc1nnc(c(c1)C)N 1P003JDN [0,0,0,0,0,1|3,0,0]=4 1249 B9R1.69 Clc1nnc(c(c1)C)N 1P028RXV [0,0,0,0,0,1|3,0,0]=4 1250 B9R1.69 Clc1nnc(c(c1)Cl)C 1P00FFTI [0,0,0,0,0,1|3,0,0]=4 1251 B9R1.69 Clc1nnc(c(n1)C)C 1P00D841 [0,0,0,0,0,1|2,0,0]=3 1252 B9R1.69 Clc1nnc(c(n1)C)Cl 1P01BBUR [0,0,0,0,0,1|3,0,0]=4 1253 B9R1.69 Cn1cc(C)cnc1=O 1P01EDTM [0,0,0,0,0,1|3,0,0]=4 1254 B9R1.69 Fc1ccc(c(c1)C)C 1P003BGN [0,0,0,0,0,1|3,0,0]=4 1255 B9R1.69 Fc1ccc(c(n1)Br)C 1P009YRR [0,0,0,0,0,1|3,0,0]=4 1256 B9R1.69 Fc1ccc(c(n1)C)Br 1P003MXP [0,0,0,0,0,1|3,0,0]=4 1257 B9R1.69 Fc1ccc(c(n1)C)C 1P01DO3Y [0,0,0,0,0,1|2,0,0]=3 1258 B9R1.69 Fc1ccc(c(n1)C)Cl 1P009Y0C [0,0,0,0,0,1|3,0,0]=4 1259 B9R1.69 Fc1ccc(c(n1)C)F 1P0280A1 [0,0,0,0,0,1|3,0,0]=4 1260 B9R1.69 Fc1ccc(c(n1)C)I 1P008D3X [0,0,0,0,0,1|3,0,0]=4 1261 B9R1.69 Fc1ccc(c(n1)C)N 1P002VYJ [0,0,0,0,0,1|3,0,0]=4 1262 B9R1.69 Fc1ccc(c(n1)C)O 1P009FMV [0,0,0,0,0,1|3,0,0]=4 1263 B9R1.69 Fc1ccc(c(n1)F)C 1P00F2CA [0,0,0,0,0,1|3,0,0]=4 1264 B9R1.69 Fc1ccc(c(n1)N)C 1P020MKO [0,0,0,0,0,1|3,0,0]=4 1265 B9R1.69 Fc1cnc(c(c1)Br)C 1P00A633 [0,0,0,0,0,1|3,0,0]=4 1266 B9R1.69 Fc1cnc(c(c1)C)Br 1P00C7KG [0,0,0,0,0,1|3,0,0]=4 1267 B9R1.69 Fc1cnc(c(c1)C)Cl 1P0033OY [0,0,0,0,0,1|3,0,0]=4 1268 B9R1.69 Fc1cnc(c(c1)C)N 1P0036RB [0,0,0,0,0,1|3,0,0]=4 1269 B9R1.69 Fc1cnc(c(c1)N)C 1P01TAO5 [0,0,0,0,0,1|3,0,0]=4 1270 B9R1.69 Fc1ncc(c(c1)Br)C 1P000JST [0,0,0,0,0,1|3,0,0]=4 1271 B9R1.69 Fc1ncc(c(c1)C)Br 1P003MXO [0,0,0,0,0,1|3,0,0]=4 1272 B9R1.69 Fc1ncc(c(c1)C)F 1P021TAC [0,0,0,0,0,1|3,0,0]=4 1273 B9R1.69 Fc1ncc(c(c1)C)I 1P000JBZ [0,0,0,0,0,1|3,0,0]=4 1274 B9R1.69 Fc1ncc(c(c1)C)N 1P003NOD [0,0,0,0,0,1|3,0,0]=4 1275 B9R1.69 Fc1ncc(c(c1)F)C 1P028ZDF [0,0,0,0,0,1|3,0,0]=4 1276 B9R1.69 Fc1ncc(c(c1)I)C 1P003HQ2 [0,0,0,0,0,1|3,0,0]=4 1277 B9R1.69 Fc1ncc(c(c1)N)C 1P001BAX [0,0,0,0,0,1|3,0,0]=4 1278 B9R1.69 Fc1ncc(c(c1)O)C 1P00HHDX [0,0,0,0,0,1|3,0,0]=4 1279 B9R1.69 Fc1ncc(c(n1)F)C 1P01B5BQ [0,0,0,0,0,1|3,0,0]=4 1280 B9R1.69 Ic1ccc(c(c1)C)C 1P00I6GA [0,0,0,0,0,1|3,0,0]=4 1281 B9R1.69 Ic1ccc(c(n1)C)Br 1P0003GB [0,0,0,0,0,1|3,0,0]=4 1282 B9R1.69 Ic1ccc(c(n1)C)O 1P008GDW [0,0,0,0,0,1|3,0,0]=4 1283 B9R1.69 Ic1cnc(c(c1)C)Br 1P006RYD [0,0,0,0,0,1|3,0,0]=4 1284 B9R1.69 Ic1cnc(c(c1)C)C 1P01AV0U [0,0,0,0,0,1|2,0,0]=3 1285 B9R1.69 Ic1cnc(c(c1)C)Cl 1P00EBVH [0,0,0,0,0,1|3,0,0]=4 1286 B9R1.69 Ic1cnc(c(c1)C)F 1P002AES [0,0,0,0,0,1|3,0,0]=4 1287 B9R1.69 Ic1cnc(c(c1)C)N 1P00HZM4 [0,0,0,0,0,1|3,0,0]=4 1288 B9R1.69 Ic1cnc(c(n1)C)Cl 1P020JGK [0,0,0,0,0,1|3,0,0]=4 1289 B9R1.69 Ic1cnc(c(n1)C)N 1P006BIA [0,0,0,0,0,1|3,0,0]=4 1290 B9R1.69 Ic1ncc(c(c1)C)Br 1P005UOR [0,0,0,0,0,1|3,0,0]=4 1291 B9R1.69 Ic1ncc(c(n1)C)Br 1P000RXU [0,0,0,0,0,1|3,0,0]=4 1292 B9R1.69 Ic1ncc(c(n1)C)Cl 1P000RTJ [0,0,0,0,0,1|3,0,0]=4 1293 B9R1.69 Nc1ccc(c(c1)C)C 1P003766 [0,0,0,0,0,1|3,0,0]=4 1294 B9R1.69 Nc1ccc(c(c1)C)C 1P00FQ4P [0,0,0,0,0,1|3,0,0]=4 1295 B9R1.69 Nc1ccc(c(n1)Br)C 1P00H1FJ [0,0,0,0,0,1|3,0,0]=4 1296 B9R1.69 Nc1ccc(c(n1)C)Br 1P003NJ5 [0,0,0,0,0,1|3,0,0]=4 1297 B9R1.69 Nc1ccc(c(n1)C)C 1P00ED1Z [0,0,0,0,0,1|2,0,0]=3 1298 B9R1.69 Nc1ccc(c(n1)C)Cl 1P003N50 [0,0,0,0,0,1|3,0,0]=4 1299 B9R1.69 Nc1ccc(c(n1)C)F 1P003A3H [0,0,0,0,0,1|3,0,0]=4 1300 B9R1.69 Nc1ccc(c(n1)C)I 1P003NJ8 [0,0,0,0,0,1|3,0,0]=4 1301 B9R1.69 Nc1ccc(c(n1)C)N 1P005TIA [0,0,0,0,0,1|3,0,0]=4 1302 B9R1.69 Nc1ccc(c(n1)C)O 1P01UNYV [0,0,0,0,0,1|3,0,0]=4 1303 B9R1.69 Nc1ccc(c(n1)Cl)C 1P00DI4N [0,0,0,0,0,1|3,0,0]=4 1304 B9R1.69 Nc1cnc(c(c1)Br)C 1P00AQ03 [0,0,0,0,0,1|3,0,0]=4 1305 B9R1.69 Nc1cnc(c(c1)C)Br 1P00BXUH [0,0,0,0,0,1|3,0,0]=4 1306 B9R1.69 Nc1cnc(c(c1)C)C 1P0037G9 [0,0,0,0,0,1|2,0,0]=3 1307 B9R1.69 Nc1cnc(c(c1)C)Cl 1P003HCJ [0,0,0,0,0,1|3,0,0]=4 1308 B9R1.69 Nc1cnc(c(c1)C)F 1P00AOW6 [0,0,0,0,0,1|3,0,0]=4 1309 B9R1.69 Nc1cnc(c(c1)Cl)C 1P00H0M7 [0,0,0,0,0,1|3,0,0]=4 1310 B9R1.69 Nc1cnc(c(c1)F)C 1P01KLJ1 [0,0,0,0,0,1|3,0,0]=4 1311 B9R1.69 Nc1cnc(c(n1)Br)C 1P005YMW [0,0,0,0,0,1|3,0,0]=4 1312 B9R1.69 Nc1cnc(c(n1)C)Br 1P008R4C [0,0,0,0,0,1|3,0,0]=4 1313 B9R1.69 Nc1cnc(c(n1)C)C 1P00391P [0,0,0,0,0,1|2,0,0]=3 1314 B9R1.69 Nc1cnc(c(n1)C)Cl 1P00DAKK [0,0,0,0,0,1|3,0,0]=4 1315 B9R1.69 Nc1ncc(c(=O)[nH]1)C 1P001RVP [0,0,0,0,0,1|3,0,0]=4 1316 B9R1.69 Nc1ncc(c(c1)Br)C 1P007HFF [0,0,0,0,0,1|3,0,0]=4 1317 B9R1.69 Nc1ncc(c(c1)C)Br 1P003GX7 [0,0,0,0,0,1|3,0,0]=4 1318 B9R1.69 Nc1ncc(c(c1)C)C 1P00EGIV [0,0,0,0,0,1|2,0,0]=3 1319 B9R1.69 Nc1ncc(c(c1)C)Cl 1P00I7RS [0,0,0,0,0,1|3,0,0]=4 1320 B9R1.69 Nc1ncc(c(c1)C)F 1P007JYO [0,0,0,0,0,1|3,0,0]=4 1321 B9R1.69 Nc1ncc(c(c1)C)I 1P003GXS [0,0,0,0,0,1|3,0,0]=4 1322 B9R1.69 Nc1ncc(c(c1)C)O 1P0098HF [0,0,0,0,0,1|3,0,0]=4 1323 B9R1.69 Nc1ncc(c(c1)Cl)C 1P008ZKE [0,0,0,0,0,1|3,0,0]=4 1324 B9R1.69 Nc1ncc(c(c1)F)C 1P01KLA4 [0,0,0,0,0,1|3,0,0]=4 1325 B9R1.69 Nc1ncc(c(c1)I)C 1P000JTI [0,0,0,0,0,1|3,0,0]=4 1326 B9R1.69 Nc1ncc(c(n1)Br)C 1P000MPX [0,0,0,0,0,1|3,0,0]=4 1327 B9R1.69 Nc1ncc(c(n1)C)Br 1P001Z6F [0,0,0,0,0,1|3,0,0]=4 1328 B9R1.69 Nc1ncc(c(n1)C)C 1P000J0I [0,0,0,0,0,1|2,0,0]=3 1329 B9R1.69 Nc1ncc(c(n1)C)Cl 1P00CMIC [0,0,0,0,0,1|3,0,0]=4 1330 B9R1.69 Nc1ncc(c(n1)C)I 1P00BK9G [0,0,0,0,0,1|3,0,0]=4 1331 B9R1.69 Nc1ncc(c(n1)Cl)C 1P002DJT [0,0,0,0,0,1|3,0,0]=4 1332 B9R1.69 Nc1nnc(c(=O)[nH]1)C 1P01EBRK [0,0,0,0,0,1|3,0,0]=4 1333 B9R1.69 Nc1nnc(c(c1)C)C 1P01AJ0W [0,0,0,0,0,1|2,0,0]=3 1334 B9R1.69 Nc1nnc(c(c1)C)Cl 1P00390P [0,0,0,0,0,1|3,0,0]=4 1335 B9R1.69 Nc1nnc(c(n1)C)Br 1P028GF9 [0,0,0,0,0,1|3,0,0]=4 1336 B9R1.69 Nc1nnc(c(n1)C)C 1P0021OU [0,0,0,0,0,1|2,0,0]=3 1337 B9R1.69 O=C1N=NC(=O)C(=C1)C 1P00629C [0,0,0,0,0,1|3,0,0]=4 1338 B9R1.69 Oc1ccc(c(c1)C)C 1P003IZJ [0,0,0,0,0,1|3,0,0]=4 1339 B9R1.69 Oc1ccc(c(n1)C)Br 1P003JKC [0,0,0,0,0,1|3,0,0]=4 1340 B9R1.69 Oc1ccc(c(n1)C)Cl 1P007X9T [0,0,0,0,0,1|3,0,0]=4 1341 B9R1.69 Oc1cnc(c(c1)Br)C 1P00AQ08 [0,0,0,0,0,1|3,0,0]=4 1342 B9R1.69 Oc1cnc(c(c1)C)Br 1P00029B [0,0,0,0,0,1|3,0,0]=4 1343 B9R1.69 Oc1cnc(c(c1)C)C 1P0037FP [0,0,0,0,0,1|2,0,0]=3 1344 B9R1.69 Oc1cnc(c(c1)C)Cl 1P003HFK [0,0,0,0,0,1|3,0,0]=4 1345 B9R1.69 Oc1cnc(c(c1)C)F 1P003HQT [0,0,0,0,0,1|3,0,0]=4 1346 B9R1.69 Oc1cnc(c(c1)C)N 1P00BBO2 [0,0,0,0,0,1|3,0,0]=4 1347 B9R1.69 Oc1cnc(c(c1)Cl)C 1P00E2Q0 [0,0,0,0,0,1|3,0,0]=4 1348 B9R1.69 Oc1ncc(c(c1)Br)C 1P00IN6W [0,0,0,0,0,1|3,0,0]=4 1349 B9R1.69 Oc1ncc(c(c1)C)Br 1P007BY9 [0,0,0,0,0,1|3,0,0]=4 1350 B9R1.69 Oc1ncc(c(c1)C)Cl 1P004AIE [0,0,0,0,0,1|3,0,0]=4 1351 B9R1.69 Oc1ncc(c(c1)C)I 1P00IINR [0,0,0,0,0,1|3,0,0]=4 1352 B9R1.69 Oc1ncc(c(c1)C)N 1P00IIWT [0,0,0,0,0,1|3,0,0]=4 1353 B9R1.69 Oc1ncc(c(n1)C)C 1P00J2RO [0,0,0,0,0,1|2,0,0]=3 1354 B9R1.69 Oc1nnc(c(c1)C)Cl 1P0039DP [0,0,0,0,0,1|3,0,0]=4 1355 B9R1.69 Oc1nnc(c(c1)C)O 1P003J75 [0,0,0,0,0,1|3,0,0]=4 1356 B9R1.69 Sc1ccc(c(c1)C)C 1P002H3X [0,0,0,0,0,1|3,0,0]=4 1357 B9R1.69 Sc1ncc(c(n1)S)C 1P00F3YQ [0,0,0,0,0,1|3,0,0]=4 1358 B9R1.69 [O-]c1nnc(c(n1)C)C 1P01AD5G [0,0,0,0,0,1|2,0,0]=3 1359 B9R1.69 [S-]c1nnc(c(n1)C)C 1P01FLFJ [0,0,0,0,0,1|2,0,0]=3 1360 B6R0.1 CC(=NO)OCC 1P008RN1 [1,0,1,0,0,0|1,0,1]=4 1361 B6R0.1 C\C(=C/C)\N=C=O 1P0283Q4 [1,0,1,0,0,0|0,0,2]=4 1362 B6R0.1 C\C(=N/C#N)\OC 1P019DO5 [1,0,1,0,0,0|1,0,1]=4 1363 B6R0.1 C\C=C\C(=O)OC 1P0037GY [1,0,1,0,0,0|2,0,0]=4 1364 B6R0.2 CC(=C)CC(=O)C 1P00CLKE [1,0,1,0,0,0|1,0,1]=4 1365 B6R0.2 CC(=C)CC(=O)O 1P001WA5 [1,0,1,0,0,0|2,0,0]=4 1366 B6R0.2 CC(=C)OC(=O)C 1P0035IQ [1,0,1,0,0,0|1,0,0]=3 1367 B6R0.2 CC(=CC(=O)C)C 1P001G6Y [1,0,1,0,0,0|1,0,1]=4 1368 B6R0.2 CC(=CC(=O)C)O 1P001CNO [1,0,1,0,0,0|2,0,0]=4 1369 B6R0.2 CC(=CC(=O)O)C 1P0033YA [1,0,1,0,0,0|2,0,0]=4 1370 B6R0.2 CC(=CC(O)C)C 1P0074MI [1,0,1,0,0,0|1,0,1]=4 1371 B6R0.2 CC(N=C(C)C)C 1P00CKF9 [1,0,1,0,0,0|1,0,1]=4 1372 B6R0.2 CC(OC(=O)C)C 1P0036E9 [1,0,1,0,0,0|1,0,1]=4 1373 B6R0.2 C\C(=C/C(=O)C)\O 1P003CFY [1,0,1,0,0,0|2,0,0]=4 1374 B6R0.4 CON=CC(=O)O 1P008EGN [1,0,1,0,0,0|2,0,0]=4 1375 B6R0.4 C\C=C\CC(=O)O 1P001WA4 [1,0,1,0,0,0|2,0,0]=4 1376 B6R0.3 CC(=CC)C(=O)O 1P0010JQ [1,0,1,0,0,0|1,0,0]=3 1377 B6R0.3 CC(C(=N)N)OC 1P019Z90 [1,0,1,0,0,0|1,0,1]=4 1378 B6R0.3 CC=C(C(=O)C)C 1P00EA6O [1,0,1,0,0,0|0,0,1]=3 1379 B6R0.3 CC=C(C(=O)O)Cl 1P01HMWU [1,0,1,0,0,0|2,0,0]=4 1380 B6R0.3 CCC(=C(C)C)C 1P008TP4 [1,0,1,0,0,0|1,0,1]=4 1381 B6R0.3 COC(=O)C(=C)C 1P003SHL [1,0,1,0,0,0|2,0,0]=4 1382 B6R0.3 COC(=O)C(=N)N 1P00EBRL [1,0,1,0,0,0|2,0,0]=4 1383 B6R0.3 COC(=O)C(=O)C 1P003SJ7 [1,0,1,0,0,0|2,0,0]=4 1384 B6R0.3 COC(C(=O)C)C 1P01A0W5 [1,0,1,0,0,0|1,0,1]=4 1385 B6R0.3 CON(C(=O)C)C 1P0035UT [1,0,1,0,0,0|2,0,0]=4 1386 B6R0.3 C\C(=C/C)\C(=O)O 1P00365V [1,0,1,0,0,0|1,0,0]=3 1387 B6R0.3 C\C(=C\C)\C(=O)O 1P00EARA [1,0,1,0,0,0|1,0,0]=3 1388 B6R0.3 C\C(=N/O)\C(=O)C 1P00IAMV [1,0,1,0,0,0|1,0,1]=4 1389 B6R0.3 C\C=C(\C(=O)C)/C 1P027W3W [1,0,1,0,0,0|0,0,1]=3 1390 B6R0.3 OB(\C(=C/C)\C)O 1P009W0B [1,0,1,0,0,0|2,0,0]=4 1391 B6R1.2 Brc1cnc[nH]1 1P002MDC [2,0,0,0,0,0|2,0,0]=4 1392 B6R1.2 Brc1cnco1 1P0094A7 [2,0,0,0,0,0|1,0,0]=3 1393 B6R1.2 Brc1cnco1 1P01B653 [2,0,0,0,0,0|1,0,0]=3 1394 B6R1.2 Brc1cncs1 1P00309V [2,0,0,0,0,0|1,1,0]=4 1395 B6R1.2 Brc1cocc1 1P00343I [2,0,0,0,0,0|2,0,0]=4 1396 B6R1.2 Brc1cocn1 1P009WUS [2,0,0,0,0,0|1,0,0]=3 1397 B6R1.2 Brc1cocn1 1P01B6N4 [2,0,0,0,0,0|1,0,0]=3 1398 B6R1.2 Brc1cscn1 1P0034FH [2,0,0,0,0,0|1,1,0]=4 1399 B6R1.2 Brc1ncc[nH]1 1P0038GT [2,0,0,0,0,0|2,0,0]=4 1400 B6R1.2 Brc1ncc[nH]1 1P01ELJO [2,0,0,0,0,0|2,0,0]=4 1401 B6R1.2 Brc1ncco1 1P000O9T [2,0,0,0,0,0|1,0,0]=3 1402 B6R1.2 Brc1ncco1 1P01AC0E [2,0,0,0,0,0|1,0,0]=3 1403 B6R1.2 Brc1nccs1 1P00309X [2,0,0,0,0,0|1,1,0]=4 1404 B6R1.2 Brc1nnco1 1P019EDG [2,0,0,0,0,0|2,0,0]=4 1405 B6R1.2 CC1=CCCO1 1P001LLN [2,0,0,0,0,0|1,0,1]=4 1406 B6R1.2 CC1=NCCO1 1P003BPP [2,0,0,0,0,0|0,0,2]=4 1407 B6R1.2 Cc1[n-]ccn1 1P00EFKI [2,0,0,0,0,0|1,0,0]=3 1408 B6R1.2 Cc1c[nH]cc1 1P00347O [2,0,0,0,0,0|1,0,1]=4 1409 B6R1.2 Cc1c[nH]cn1 1P0034KA [2,0,0,0,0,0|1,0,0]=3 1410 B6R1.2 Cc1c[nH]nc1 1P0034KB [2,0,0,0,0,0|2,0,0]=4 1411 B6R1.2 Cc1cc[nH]n1 1P001L8I [2,0,0,0,0,0|2,0,0]=4 1412 B6R1.2 Cc1ccc[nH]1 1P0036CQ [2,0,0,0,0,0|1,0,1]=4 1413 B6R1.2 Cc1ccco1 1P003I5W [2,0,0,0,0,0|1,0,0]=3 1414 B6R1.2 Cc1ccn[nH]1 1P00GV5F [2,0,0,0,0,0|2,0,0]=4 1415 B6R1.2 Cc1ccn[nH]1 1P00HFKT [2,0,0,0,0,0|2,0,0]=4 1416 B6R1.2 Cc1ccno1 1P0034RJ [2,0,0,0,0,0|2,0,0]=4 1417 B6R1.2 Cc1ccns1 1P00FD3O [2,0,0,0,0,0|2,0,0]=4 1418 B6R1.2 Cc1ccon1 1P0031XW [2,0,0,0,0,0|2,0,0]=4 1419 B6R1.2 Cc1cn[nH]n1 1P002GA1 [2,0,0,0,0,0|2,0,0]=4 1420 B6R1.2 Cc1cnc[nH]1 1P002MX4 [2,0,0,0,0,0|1,0,0]=3 1421 B6R1.2 Cc1cnco1 1P0037GR [2,0,0,0,0,0|0,0,0]=2 1422 B6R1.2 Cc1cncs1 1P003ND8 [2,0,0,0,0,0|0,1,0]=3 1423 B6R1.2 Cc1cnn[nH]1 1P002VA9 [2,0,0,0,0,0|2,0,0]=4 1424 B6R1.2 Cc1cnon1 1P002SJZ [2,0,0,0,0,0|2,0,0]=4 1425 B6R1.2 Cc1cocc1 1P003K7Y [2,0,0,0,0,0|1,0,0]=3 1426 B6R1.2 Cc1cocn1 1P00376B [2,0,0,0,0,0|0,0,0]=2 1427 B6R1.2 Cc1conc1 1P00EDTH [2,0,0,0,0,0|2,0,0]=4 1428 B6R1.2 Cc1cscc1 1P0037J4 [2,0,0,0,0,0|1,1,0]=4 1429 B6R1.2 Cc1cscn1 1P0034KU [2,0,0,0,0,0|0,1,0]=3 1430 B6R1.2 Cc1csnc1 1P00FFVP [2,0,0,0,0,0|2,0,0]=4 1431 B6R1.2 Cc1csnn1 1P0023VD [2,0,0,0,0,0|1,1,0]=4 1432 B6R1.2 Cc1n[nH]cn1 1P00347N [2,0,0,0,0,0|2,0,0]=4 1433 B6R1.2 Cc1ncc[nH]1 1P0033UW [2,0,0,0,0,0|1,0,0]=3 1434 B6R1.2 Cc1ncc[nH]1 1P01FPHT [2,0,0,0,0,0|1,0,0]=3 1435 B6R1.2 Cc1ncco1 1P002MBP [2,0,0,0,0,0|0,0,0]=2 1436 B6R1.2 Cc1nccs1 1P003I7G [2,0,0,0,0,0|0,1,0]=3 1437 B6R1.2 Cc1nnco1 1P0033UG [2,0,0,0,0,0|1,0,0]=3 1438 B6R1.2 Clc1cnc[nH]1 1P001RQY [2,0,0,0,0,0|2,0,0]=4 1439 B6R1.2 Clc1cncs1 1P01B60F [2,0,0,0,0,0|1,1,0]=4 1440 B6R1.2 Clc1cscn1 1P003LP9 [2,0,0,0,0,0|1,1,0]=4 1441 B6R1.2 Clc1ncc[nH]1 1P001TQY [2,0,0,0,0,0|2,0,0]=4 1442 B6R1.2 Clc1ncco1 1P01C0J0 [2,0,0,0,0,0|1,0,0]=3 1443 B6R1.2 Clc1nccs1 1P00309Y [2,0,0,0,0,0|1,1,0]=4 1444 B6R1.2 Cn1cccn1 1P003EXX [2,0,0,0,0,0|2,0,0]=4 1445 B6R1.2 Cn1cncc1 1P001NMJ [2,0,0,0,0,0|2,0,0]=4 1446 B6R1.2 Cn1cncc1 1P007BCU [2,0,0,0,0,0|2,0,0]=4 1447 B6R1.2 Cn1cncn1 1P003EXL [2,0,0,0,0,0|2,0,0]=4 1448 B6R1.2 Cn1nccn1 1P002IJT [2,0,0,0,0,0|2,0,0]=4 1449 B6R1.2 Fc1cnc[nH]1 1P007K08 [2,0,0,0,0,0|2,0,0]=4 1450 B6R1.2 Fc1cocc1 1P0292CG [2,0,0,0,0,0|2,0,0]=4 1451 B6R1.2 Fc1ncc[nH]1 1P00CM2R [2,0,0,0,0,0|2,0,0]=4 1452 B6R1.2 Fc1nccs1 1P00BI23 [2,0,0,0,0,0|1,1,0]=4 1453 B6R1.2 Ic1c[nH]cn1 1P0034JK [2,0,0,0,0,0|2,0,0]=4 1454 B6R1.2 Ic1cnco1 1P027WF8 [2,0,0,0,0,0|1,0,0]=3 1455 B6R1.2 Ic1cncs1 1P009R22 [2,0,0,0,0,0|1,1,0]=4 1456 B6R1.2 Ic1cocn1 1P01BJ4G [2,0,0,0,0,0|1,0,0]=3 1457 B6R1.2 Ic1cscn1 1P01BUQT [2,0,0,0,0,0|1,1,0]=4 1458 B6R1.2 Ic1ncc[nH]1 1P00309S [2,0,0,0,0,0|2,0,0]=4 1459 B6R1.2 Ic1ncco1 1P00IF7W [2,0,0,0,0,0|1,0,0]=3 1460 B6R1.2 Ic1nccs1 1P00309W [2,0,0,0,0,0|1,1,0]=4 1461 B6R1.2 Nc1cnc[nH]1 1P000S6U [2,0,0,0,0,0|2,0,0]=4 1462 B6R1.2 Nc1cncs1 1P0025NE [2,0,0,0,0,0|1,1,0]=4 1463 B6R1.2 Nc1cncs1 1P0034NP [2,0,0,0,0,0|1,1,0]=4 1464 B6R1.2 Nc1cscn1 1P0025NF [2,0,0,0,0,0|1,1,0]=4 1465 B6R1.2 Nc1nc[nH]c1 1P0039YW [2,0,0,0,0,0|2,0,0]=4 1466 B6R1.2 Nc1ncc[nH]1 1P001KWS [2,0,0,0,0,0|2,0,0]=4 1467 B6R1.2 Nc1ncc[nH]1 1P00338E [2,0,0,0,0,0|2,0,0]=4 1468 B6R1.2 Nc1ncco1 1P0033L1 [2,0,0,0,0,0|1,0,0]=3 1469 B6R1.2 Nc1nccs1 1P00IBBT [2,0,0,0,0,0|1,1,0]=4 1470 B6R1.2 Nc1nnco1 1P00CJA5 [2,0,0,0,0,0|2,0,0]=4 1471 B6R1.2 Nc1nocn1 1P00D4NZ [2,0,0,0,0,0|2,0,0]=4 1472 B6R1.2 Nc1scnc1 1P01C520 [2,0,0,0,0,0|1,1,0]=4 1473 B6R1.2 O=c1occ[nH]1 1P002UML [2,0,0,0,0,0|1,0,1]=4 1474 B6R1.2 O=c1occo1 1P003VS7 [2,0,0,0,0,0|2,0,0]=4 1475 B6R1.2 O=c1ocn[nH]1 1P00J30X [2,0,0,0,0,0|2,0,0]=4 1476 B6R1.2 Oc1c[nH]cn1 1P0063WX [2,0,0,0,0,0|2,0,0]=4 1477 B6R1.2 Oc1nccs1 1P00G7GQ [2,0,0,0,0,0|1,1,0]=4 1478 B6R1.2 Sc1nccs1 1P00IDP6 [2,0,0,0,0,0|1,1,0]=4 1479 B8R0.23 CC(=O)OC(C(=O)C)C 1P003J9G [0,1,1,0,0,0|1,0,1]=4 1480 B8R0.23 OC(=O)CC(=C(C)C)C 1P00B50T [0,1,1,0,0,0|2,0,0]=4 1481 B8R1.1 BrCc1cnc(s1)Br 1P00105F [1,1,0,0,0,0|1,1,0]=4 1482 B8R1.1 BrCc1cnn(c1)C 1P00DM2I [1,1,0,0,0,0|2,0,0]=4 1483 B8R1.1 BrCc1csc(n1)Br 1P0022LM [1,1,0,0,0,0|1,1,0]=4 1484 B8R1.1 BrCc1ncc(s1)Br 1P01A64K [1,1,0,0,0,0|1,1,0]=4 1485 B8R1.1 BrCc1ncn(n1)C 1P02843L [1,1,0,0,0,0|2,0,0]=4 1486 B8R1.1 BrCc1noc(n1)C 1P00J379 [1,1,0,0,0,0|1,0,0]=3 1487 B8R1.1 BrCc1onc(n1)Br 1P0015RA [1,1,0,0,0,0|2,0,0]=4 1488 B8R1.1 BrCc1scc(n1)Br 1P02843G [1,1,0,0,0,0|1,1,0]=4 1489 B8R1.1 Brc1nc(co1)C#N 1P01DDSO [1,1,0,0,0,0|1,0,1]=4 1490 B8R1.1 Brc1nc(co1)C=O 1P0095BP [1,1,0,0,0,0|1,0,1]=4 1491 B8R1.1 Brc1ncc(o1)C#N 1P020LQ0 [1,1,0,0,0,0|1,0,1]=4 1492 B8R1.1 CC1=NC=C(C#C)S1 1P01FX4I [1,1,0,0,0,0|0,1,1]=4 1493 B8R1.1 CCc1[nH]nc(n1)C 1P01AIUA [1,1,0,0,0,0|2,0,0]=4 1494 B8R1.1 CCc1c[nH]c(n1)N 1P01K4BQ [1,1,0,0,0,0|2,0,0]=4 1495 B8R1.1 CCc1c[nH]c(n1)S 1P01A0M7 [1,1,0,0,0,0|2,0,0]=4 1496 B8R1.1 CCc1ccc(o1)C 1P0039DO [1,1,0,0,0,0|1,0,0]=3 1497 B8R1.1 CCc1ccc(s1)C 1P003HNV [1,1,0,0,0,0|1,1,0]=4 1498 B8R1.1 CCc1ccn(n1)C 1P00I66E [1,1,0,0,0,0|2,0,0]=4 1499 B8R1.1 CCc1cnc([nH]1)Br 1P0224G8 [1,1,0,0,0,0|2,0,0]=4 1500 B8R1.1 CCc1cnc(o1)Br 1P01BIV2 [1,1,0,0,0,0|1,0,0]=3 1501 B8R1.1 CCc1cnc(o1)Cl 1P028J9N [1,1,0,0,0,0|1,0,0]=3 1502 B8R1.1 CCc1cnc(o1)N 1P019YWP [1,1,0,0,0,0|1,0,0]=3 1503 B8R1.1 CCc1cnc(s1)Br 1P00AO2J [1,1,0,0,0,0|1,1,0]=4 1504 B8R1.1 CCc1cnc(s1)Cl 1P00GML7 [1,1,0,0,0,0|1,1,0]=4 1505 B8R1.1 CCc1cnc(s1)N 1P0037QG [1,1,0,0,0,0|1,1,0]=4 1506 B8R1.1 CCc1cnc(s1)N 1P01CD9U [1,1,0,0,0,0|1,1,0]=4 1507 B8R1.1 CCc1coc(n1)Br 1P01BB5C [1,1,0,0,0,0|1,0,0]=3 1508 B8R1.1 CCc1coc(n1)I 1P02928W [1,1,0,0,0,0|1,0,0]=3 1509 B8R1.1 CCc1coc(n1)N 1P01B8TQ [1,1,0,0,0,0|1,0,0]=3 1510 B8R1.1 CCc1csc(c1)C 1P0012TP [1,1,0,0,0,0|1,1,0]=4 1511 B8R1.1 CCc1csc(n1)Br 1P00GUYM [1,1,0,0,0,0|1,1,0]=4 1512 B8R1.1 CCc1csc(n1)Cl 1P00H739 [1,1,0,0,0,0|1,1,0]=4 1513 B8R1.1 CCc1csc(n1)F 1P01BTYJ [1,1,0,0,0,0|1,1,0]=4 1514 B8R1.1 CCc1csc(n1)N 1P00C90S [1,1,0,0,0,0|1,1,0]=4 1515 B8R1.1 CCc1csc(n1)N 1P00J3VY [1,1,0,0,0,0|1,1,0]=4 1516 B8R1.1 CCc1n[nH]c(=S)o1 1P01EIR5 [1,1,0,0,0,0|2,0,0]=4 1517 B8R1.1 CCc1nc(cs1)Br 1P00HFS3 [1,1,0,0,0,0|1,1,0]=4 1518 B8R1.1 CCc1nc(no1)Br 1P009E8L [1,1,0,0,0,0|2,0,0]=4 1519 B8R1.1 CCc1nc(no1)Cl 1P009EEQ [1,1,0,0,0,0|2,0,0]=4 1520 B8R1.1 CCc1nc(no1)N 1P00HZZ7 [1,1,0,0,0,0|2,0,0]=4 1521 B8R1.1 CCc1ncc([nH]1)Br 1P001DNI [1,1,0,0,0,0|2,0,0]=4 1522 B8R1.1 CCc1ncc([nH]1)C 1P003HNU [1,1,0,0,0,0|1,0,0]=3 1523 B8R1.1 CCc1ncc([nH]1)I 1P01DX7U [1,1,0,0,0,0|2,0,0]=4 1524 B8R1.1 CCc1ncc(o1)Br 1P01ELL1 [1,1,0,0,0,0|1,0,0]=3 1525 B8R1.1 CCc1ncn(c1)C 1P01C101 [1,1,0,0,0,0|2,0,0]=4 1526 B8R1.1 CCc1nnc(o1)Br 1P023OH3 [1,1,0,0,0,0|2,0,0]=4 1527 B8R1.1 CCc1nnc(o1)Cl 1P01DZ5Z [1,1,0,0,0,0|2,0,0]=4 1528 B8R1.1 CCc1nnc(o1)N 1P00C964 [1,1,0,0,0,0|2,0,0]=4 1529 B8R1.1 CCc1nnc(o1)O 1P00D3D6 [1,1,0,0,0,0|2,0,0]=4 1530 B8R1.1 CCc1noc(n1)N 1P00C8OI [1,1,0,0,0,0|2,0,0]=4 1531 B8R1.1 CCc1noc(n1)O 1P00J2XM [1,1,0,0,0,0|2,0,0]=4 1532 B8R1.1 CCc1scc(n1)C 1P001PGP [1,1,0,0,0,0|0,1,0]=3 1533 B8R1.1 CCn1ccc(n1)C 1P0030KV [1,1,0,0,0,0|2,0,0]=4 1534 B8R1.1 CCn1ccc(n1)C 1P01C0XS [1,1,0,0,0,0|2,0,0]=4 1535 B8R1.1 CCn1ncc(c1)C 1P01APCE [1,1,0,0,0,0|2,0,0]=4 1536 B8R1.1 CN=c1[nH]oc(c1)C 1P00DKA8 [1,1,0,0,0,0|2,0,0]=4 1537 B8R1.1 CNc1ccn(n1)C 1P01ADOO [1,1,0,0,0,0|2,0,0]=4 1538 B8R1.1 CNc1cnn(c1)C 1P00IJ27 [1,1,0,0,0,0|2,0,0]=4 1539 B8R1.1 CNc1cnn(c1)C 1P01AKZW [1,1,0,0,0,0|2,0,0]=4 1540 B8R1.1 CNc1n[nH]c(c1)C 1P01AKYO [1,1,0,0,0,0|2,0,0]=4 1541 B8R1.1 CNc1nc(cs1)Br 1P0039U8 [1,1,0,0,0,0|1,1,0]=4 1542 B8R1.1 CNc1ncc(s1)Br 1P01C5SV [1,1,0,0,0,0|1,1,0]=4 1543 B8R1.1 CNc1ncc(s1)C 1P019DQ8 [1,1,0,0,0,0|0,1,0]=3 1544 B8R1.1 CNc1ncc(s1)C 1P01FKWA [1,1,0,0,0,0|0,1,0]=3 1545 B8R1.1 CNc1ncc(s1)Cl 1P01AN5E [1,1,0,0,0,0|1,1,0]=4 1546 B8R1.1 CNc1nnc(s1)C 1P00I862 [1,1,0,0,0,0|1,1,0]=4 1547 B8R1.1 CNc1noc(c1)C 1P01FKW9 [1,1,0,0,0,0|2,0,0]=4 1548 B8R1.1 CNc1onc(n1)C 1P01DX58 [1,1,0,0,0,0|1,0,0]=3 1549 B8R1.1 CNc1scc(n1)C 1P007Q89 [1,1,0,0,0,0|0,1,0]=3 1550 B8R1.1 CNc1snc(n1)C 1P007B52 [1,1,0,0,0,0|1,1,0]=4 1551 B8R1.1 COc1[nH]nc(c1)C 1P01DWST [1,1,0,0,0,0|2,0,0]=4 1552 B8R1.1 COc1cnc(s1)C 1P00BXUC [1,1,0,0,0,0|0,1,0]=3 1553 B8R1.1 COc1cnc(s1)N 1P00EAWD [1,1,0,0,0,0|1,1,0]=4 1554 B8R1.1 COc1csc(n1)Br 1P01DVG7 [1,1,0,0,0,0|1,1,0]=4 1555 B8R1.1 COc1nc(cs1)Br 1P00C2ED [1,1,0,0,0,0|1,1,0]=4 1556 B8R1.1 COc1nc(cs1)I 1P01BK7C [1,1,0,0,0,0|1,1,0]=4 1557 B8R1.1 COc1ncc(s1)Br 1P00DE93 [1,1,0,0,0,0|1,1,0]=4 1558 B8R1.1 COc1ncc(s1)I 1P01ELXZ [1,1,0,0,0,0|1,1,0]=4 1559 B8R1.1 COc1nnc(s1)C 1P00I3C1 [1,1,0,0,0,0|1,1,0]=4 1560 B8R1.1 COc1noc(c1)C 1P001YOF [1,1,0,0,0,0|2,0,0]=4 1561 B8R1.1 CSc1cnc(s1)N 1P00IKP2 [1,1,0,0,0,0|1,1,0]=4 1562 B8R1.1 CSc1nc(cs1)Br 1P002A0P [1,1,0,0,0,0|1,1,0]=4 1563 B8R1.1 CSc1ncc(s1)Br 1P01UOVY [1,1,0,0,0,0|1,1,0]=4 1564 B8R1.1 CSc1nnc(s1)C 1P00B4W9 [1,1,0,0,0,0|1,1,0]=4 1565 B8R1.1 CSc1noc(n1)N 1P00E6TW [1,1,0,0,0,0|2,0,0]=4 1566 B8R1.1 Cc1c[nH]c(n1)C#N 1P00FFU1 [1,1,0,0,0,0|1,0,1]=4 1567 B8R1.1 Cc1c[nH]c(n1)CBr 1P0286E1 [1,1,0,0,0,0|1,0,0]=3 1568 B8R1.1 Cc1c[nH]c(n1)CCl 1P01EMA8 [1,1,0,0,0,0|1,0,0]=3 1569 B8R1.1 Cc1cc([nH]n1)CN 1P00DDAT [1,1,0,0,0,0|2,0,0]=4 1570 B8R1.1 Cc1cc([nH]n1)CN 1P00J1L2 [1,1,0,0,0,0|2,0,0]=4 1571 B8R1.1 Cc1cc([nH]n1)CO 1P00AMG5 [1,1,0,0,0,0|2,0,0]=4 1572 B8R1.1 Cc1cc(n[nH]1)CCl 1P024Q2W [1,1,0,0,0,0|2,0,0]=4 1573 B8R1.1 Cc1cc(n[nH]1)CO 1P0021VE [1,1,0,0,0,0|2,0,0]=4 1574 B8R1.1 Cc1cc(no1)CBr 1P000V6J [1,1,0,0,0,0|2,0,0]=4 1575 B8R1.1 Cc1cc(no1)CCl 1P00I7FL [1,1,0,0,0,0|2,0,0]=4 1576 B8R1.1 Cc1cc(no1)CN 1P007HB0 [1,1,0,0,0,0|2,0,0]=4 1577 B8R1.1 Cc1cc(no1)CN 1P008SBK [1,1,0,0,0,0|2,0,0]=4 1578 B8R1.1 Cc1cc(no1)CO 1P003K19 [1,1,0,0,0,0|2,0,0]=4 1579 B8R1.1 Cc1cc(no1)CS 1P01CAMG [1,1,0,0,0,0|2,0,0]=4 1580 B8R1.1 Cc1cc(ns1)CCl 1P0280TX [1,1,0,0,0,0|2,0,0]=4 1581 B8R1.1 Cc1cc(ns1)CO 1P00AO1D [1,1,0,0,0,0|2,0,0]=4 1582 B8R1.1 Cc1cc(oc1)C=O 1P00I6ZP [1,1,0,0,0,0|1,0,1]=4 1583 B8R1.1 Cc1cc(oc1)CO 1P01BUE0 [1,1,0,0,0,0|1,0,0]=3 1584 B8R1.1 Cc1cc(on1)CBr 1P00C8P2 [1,1,0,0,0,0|2,0,0]=4 1585 B8R1.1 Cc1cc(on1)CCl 1P00I8DH [1,1,0,0,0,0|2,0,0]=4 1586 B8R1.1 Cc1cc(on1)CN 1P0039IC [1,1,0,0,0,0|2,0,0]=4 1587 B8R1.1 Cc1cc(on1)CN 1P00FGSG [1,1,0,0,0,0|2,0,0]=4 1588 B8R1.1 Cc1cc(on1)CO 1P001F53 [1,1,0,0,0,0|2,0,0]=4 1589 B8R1.1 Cc1cc(on1)CS 1P02920V [1,1,0,0,0,0|2,0,0]=4 1590 B8R1.1 Cc1cc(sc1)CN 1P01C1JY [1,1,0,0,0,0|1,1,0]=4 1591 B8R1.1 Cc1cc(sc1)CO 1P005M4K [1,1,0,0,0,0|1,1,0]=4 1592 B8R1.1 Cc1cc(sn1)CCl 1P01BU65 [1,1,0,0,0,0|2,0,0]=4 1593 B8R1.1 Cc1cc(sn1)CN 1P023OR9 [1,1,0,0,0,0|2,0,0]=4 1594 B8R1.1 Cc1cc(sn1)CO 1P01BEOL [1,1,0,0,0,0|2,0,0]=4 1595 B8R1.1 Cc1ccc(o1)C#N 1P0070KY [1,1,0,0,0,0|1,0,1]=4 1596 B8R1.1 Cc1ccc(o1)C=C 1P007GDE [1,1,0,0,0,0|1,0,1]=4 1597 B8R1.1 Cc1ccc(o1)C=O 1P003NCN [1,1,0,0,0,0|1,0,1]=4 1598 B8R1.1 Cc1ccc(o1)CN 1P001CFL [1,1,0,0,0,0|1,0,0]=3 1599 B8R1.1 Cc1ccc(o1)CO 1P003NBO [1,1,0,0,0,0|1,0,0]=3 1600 B8R1.1 Cc1ccc(o1)CS 1P00EK7C [1,1,0,0,0,0|1,0,0]=3 1601 B8R1.1 Cc1ccc(s1)CBr 1P028X3V [1,1,0,0,0,0|1,1,0]=4 1602 B8R1.1 Cc1ccc(s1)CN 1P0085BO [1,1,0,0,0,0|1,1,0]=4 1603 B8R1.1 Cc1ccc(s1)CN 1P00AKVE [1,1,0,0,0,0|1,1,0]=4 1604 B8R1.1 Cc1ccc(s1)CO 1P00EGD8 [1,1,0,0,0,0|1,1,0]=4 1605 B8R1.1 Cc1cn(nc1)CCl 1P01FIOM [1,1,0,0,0,0|2,0,0]=4 1606 B8R1.1 Cc1cnc([nH]1)C=O 1P000AAF [1,1,0,0,0,0|1,0,1]=4 1607 B8R1.1 Cc1cnc([nH]1)CO 1P002G9Q [1,1,0,0,0,0|1,0,0]=3 1608 B8R1.1 Cc1cnc(o1)C=O 1P00VVHM [1,1,0,0,0,0|0,0,1]=3 1609 B8R1.1 Cc1cnc(o1)CCl 1P019SFT [1,1,0,0,0,0|0,0,0]=2 1610 B8R1.1 Cc1cnc(o1)CN 1P00ILCU [1,1,0,0,0,0|0,0,0]=2 1611 B8R1.1 Cc1cnc(o1)CN 1P00VSR9 [1,1,0,0,0,0|0,0,0]=2 1612 B8R1.1 Cc1cnc(o1)CO 1P00VVV6 [1,1,0,0,0,0|0,0,0]=2 1613 B8R1.1 Cc1cnc(s1)C#N 1P0002O5 [1,1,0,0,0,0|0,1,1]=4 1614 B8R1.1 Cc1cnc(s1)C=O 1P00196D [1,1,0,0,0,0|0,1,1]=4 1615 B8R1.1 Cc1cnc(s1)CCl 1P00IHHK [1,1,0,0,0,0|0,1,0]=3 1616 B8R1.1 Cc1cnc(s1)CO 1P00290Z [1,1,0,0,0,0|0,1,0]=3 1617 B8R1.1 Cc1coc(n1)C#C 1P028Y57 [1,1,0,0,0,0|0,0,1]=3 1618 B8R1.1 Cc1coc(n1)C=O 1P001QVU [1,1,0,0,0,0|0,0,1]=3 1619 B8R1.1 Cc1coc(n1)CCl 1P02848D [1,1,0,0,0,0|0,0,0]=2 1620 B8R1.1 Cc1coc(n1)CO 1P021U5B [1,1,0,0,0,0|0,0,0]=2 1621 B8R1.1 Cc1csc(n1)C#C 1P00CGB0 [1,1,0,0,0,0|0,1,1]=4 1622 B8R1.1 Cc1csc(n1)C#N 1P0002P4 [1,1,0,0,0,0|0,1,1]=4 1623 B8R1.1 Cc1csc(n1)C=O 1P0013UG [1,1,0,0,0,0|0,1,1]=4 1624 B8R1.1 Cc1csc(n1)CCl 1P006UMP [1,1,0,0,0,0|0,1,0]=3 1625 B8R1.1 Cc1csc(n1)CCl 1P00J206 [1,1,0,0,0,0|0,1,0]=3 1626 B8R1.1 Cc1csc(n1)CN 1P000PRK [1,1,0,0,0,0|0,1,0]=3 1627 B8R1.1 Cc1csc(n1)CN 1P00DBWW [1,1,0,0,0,0|0,1,0]=3 1628 B8R1.1 Cc1csc(n1)CO 1P0013UH [1,1,0,0,0,0|0,1,0]=3 1629 B8R1.1 Cc1csc(n1)CO 1P00J22S [1,1,0,0,0,0|0,1,0]=3 1630 B8R1.1 Cc1csc(n1)NN 1P001J5G [1,1,0,0,0,0|1,1,0]=4 1631 B8R1.1 Cc1nc([nH]n1)CCl 1P00J2XT [1,1,0,0,0,0|2,0,0]=4 1632 B8R1.1 Cc1nc([nH]n1)CN 1P009VYP [1,1,0,0,0,0|2,0,0]=4 1633 B8R1.1 Cc1nc([nH]n1)CO 1P00J2ZB [1,1,0,0,0,0|2,0,0]=4 1634 B8R1.1 Cc1nc([nH]n1)CO 1P00J3JE [1,1,0,0,0,0|2,0,0]=4 1635 B8R1.1 Cc1nc([nH]n1)CS 1P027ZKO [1,1,0,0,0,0|2,0,0]=4 1636 B8R1.1 Cc1nc(c[nH]1)C#C 1P0287YM [1,1,0,0,0,0|1,0,1]=4 1637 B8R1.1 Cc1nc(c[nH]1)CBr 1P02900O [1,1,0,0,0,0|1,0,0]=3 1638 B8R1.1 Cc1nc(c[nH]1)CCl 1P00ELGS [1,1,0,0,0,0|1,0,0]=3 1639 B8R1.1 Cc1nc(c[nH]1)CO 1P00DD57 [1,1,0,0,0,0|1,0,0]=3 1640 B8R1.1 Cc1nc(co1)C#C 1P02923N [1,1,0,0,0,0|0,0,1]=3 1641 B8R1.1 Cc1nc(co1)C#N 1P0041LQ [1,1,0,0,0,0|0,0,1]=3 1642 B8R1.1 Cc1nc(co1)C=O 1P0009XK [1,1,0,0,0,0|0,0,1]=3 1643 B8R1.1 Cc1nc(co1)CCl 1P009CKU [1,1,0,0,0,0|0,0,0]=2 1644 B8R1.1 Cc1nc(co1)CN 1P008SCE [1,1,0,0,0,0|0,0,0]=2 1645 B8R1.1 Cc1nc(co1)CN 1P021MU1 [1,1,0,0,0,0|0,0,0]=2 1646 B8R1.1 Cc1nc(co1)CO 1P007ZR0 [1,1,0,0,0,0|0,0,0]=2 1647 B8R1.1 Cc1nc(cs1)C#C 1P008UQD [1,1,0,0,0,0|0,1,1]=4 1648 B8R1.1 Cc1nc(cs1)C#N 1P006Z27 [1,1,0,0,0,0|0,1,1]=4 1649 B8R1.1 Cc1nc(cs1)C=C 1P01A3RX [1,1,0,0,0,0|0,1,1]=4 1650 B8R1.1 Cc1nc(cs1)C=C 1P01ANVE [1,1,0,0,0,0|0,1,1]=4 1651 B8R1.1 Cc1nc(cs1)C=O 1P002KQ5 [1,1,0,0,0,0|0,1,1]=4 1652 B8R1.1 Cc1nc(cs1)CBr 1P00FFU6 [1,1,0,0,0,0|0,1,0]=3 1653 B8R1.1 Cc1nc(cs1)CCl 1P0053U4 [1,1,0,0,0,0|0,1,0]=3 1654 B8R1.1 Cc1nc(cs1)CCl 1P00BZ6A [1,1,0,0,0,0|0,1,0]=3 1655 B8R1.1 Cc1nc(cs1)CN 1P007GCS [1,1,0,0,0,0|0,1,0]=3 1656 B8R1.1 Cc1nc(cs1)CN 1P00932L [1,1,0,0,0,0|0,1,0]=3 1657 B8R1.1 Cc1nc(cs1)CO 1P008QA9 [1,1,0,0,0,0|0,1,0]=3 1658 B8R1.1 Cc1nc(on1)CBr 1P00H4CB [1,1,0,0,0,0|1,0,0]=3 1659 B8R1.1 Cc1nc(on1)CCl 1P000ISU [1,1,0,0,0,0|1,0,0]=3 1660 B8R1.1 Cc1nc(on1)CN 1P00BHFT [1,1,0,0,0,0|1,0,0]=3 1661 B8R1.1 Cc1nc(on1)CO 1P0038S0 [1,1,0,0,0,0|1,0,0]=3 1662 B8R1.1 Cc1nc(on1)CS 1P0291EM [1,1,0,0,0,0|1,0,0]=3 1663 B8R1.1 Cc1nc(sn1)CBr 1P0280HG [1,1,0,0,0,0|1,1,0]=4 1664 B8R1.1 Cc1nc(sn1)CCl 1P01EM97 [1,1,0,0,0,0|1,1,0]=4 1665 B8R1.1 Cc1nc(sn1)CN 1P028HP8 [1,1,0,0,0,0|1,1,0]=4 1666 B8R1.1 Cc1nc(sn1)CO 1P01BHUW [1,1,0,0,0,0|1,1,0]=4 1667 B8R1.1 Cc1ncc([nH]1)C=O 1P007GWA [1,1,0,0,0,0|1,0,1]=4 1668 B8R1.1 Cc1ncc(o1)C#C 1P028TPZ [1,1,0,0,0,0|0,0,1]=3 1669 B8R1.1 Cc1ncc(o1)C#N 1P00035Q [1,1,0,0,0,0|0,0,1]=3 1670 B8R1.1 Cc1ncc(o1)CCl 1P000PRG [1,1,0,0,0,0|0,0,0]=2 1671 B8R1.1 Cc1ncc(o1)CCl 1P028AOH [1,1,0,0,0,0|0,0,0]=2 1672 B8R1.1 Cc1ncc(o1)CN 1P01C312 [1,1,0,0,0,0|0,0,0]=2 1673 B8R1.1 Cc1ncc(o1)CO 1P0092QJ [1,1,0,0,0,0|0,0,0]=2 1674 B8R1.1 Cc1ncc(o1)CS 1P01C9S1 [1,1,0,0,0,0|0,0,0]=2 1675 B8R1.1 Cc1ncc(s1)C#N 1P00IBZG [1,1,0,0,0,0|0,1,1]=4 1676 B8R1.1 Cc1ncc(s1)C=O 1P0001Z0 [1,1,0,0,0,0|0,1,1]=4 1677 B8R1.1 Cc1ncc(s1)CBr 1P00IDSU [1,1,0,0,0,0|0,1,0]=3 1678 B8R1.1 Cc1ncc(s1)CBr 1P02939Y [1,1,0,0,0,0|0,1,0]=3 1679 B8R1.1 Cc1ncc(s1)CCl 1P00F69F [1,1,0,0,0,0|0,1,0]=3 1680 B8R1.1 Cc1ncc(s1)CCl 1P01BIY6 [1,1,0,0,0,0|0,1,0]=3 1681 B8R1.1 Cc1ncc(s1)CN 1P00ED8F [1,1,0,0,0,0|0,1,0]=3 1682 B8R1.1 Cc1ncc(s1)CN 1P00HBF4 [1,1,0,0,0,0|0,1,0]=3 1683 B8R1.1 Cc1ncc(s1)CO 1P00DJHY [1,1,0,0,0,0|0,1,0]=3 1684 B8R1.1 Cc1nnc([nH]1)CBr 1P028479 [1,1,0,0,0,0|2,0,0]=4 1685 B8R1.1 Cc1nnc(o1)C=O 1P001V27 [1,1,0,0,0,0|1,0,1]=4 1686 B8R1.1 Cc1nnc(o1)CBr 1P01BH7F [1,1,0,0,0,0|1,0,0]=3 1687 B8R1.1 Cc1nnc(o1)CCl 1P0033BY [1,1,0,0,0,0|1,0,0]=3 1688 B8R1.1 Cc1nnc(o1)CN 1P000EDS [1,1,0,0,0,0|1,0,0]=3 1689 B8R1.1 Cc1nnc(o1)CO 1P00GU53 [1,1,0,0,0,0|1,0,0]=3 1690 B8R1.1 Cc1nnc(o1)CS 1P027RAU [1,1,0,0,0,0|1,0,0]=3 1691 B8R1.1 Cc1nnc(s1)CBr 1P01B7R0 [1,1,0,0,0,0|1,1,0]=4 1692 B8R1.1 Cc1nnc(s1)CCl 1P008QZD [1,1,0,0,0,0|1,1,0]=4 1693 B8R1.1 Cc1nnc(s1)CN 1P005BMI [1,1,0,0,0,0|1,1,0]=4 1694 B8R1.1 Cc1nnc(s1)CO 1P00IEPT [1,1,0,0,0,0|1,1,0]=4 1695 B8R1.1 ClCc1cnc(s1)Cl 1P0033OW [1,1,0,0,0,0|1,1,0]=4 1696 B8R1.1 ClCc1cnn(c1)C 1P00ASFY [1,1,0,0,0,0|2,0,0]=4 1697 B8R1.1 ClCc1csc(n1)Cl 1P00D8GW [1,1,0,0,0,0|1,1,0]=4 1698 B8R1.1 ClCc1nc(c[nH]1)Br 1P027Z1P [1,1,0,0,0,0|2,0,0]=4 1699 B8R1.1 ClCc1ncc(s1)Br 1P01BFYC [1,1,0,0,0,0|1,1,0]=4 1700 B8R1.1 ClCc1ncc(s1)Cl 1P01A6VP [1,1,0,0,0,0|1,1,0]=4 1701 B8R1.1 ClCc1ncn(n1)C 1P00805C [1,1,0,0,0,0|2,0,0]=4 1702 B8R1.1 ClCc1noc(n1)C 1P000ISV [1,1,0,0,0,0|1,0,0]=3 1703 B8R1.1 ClCc1noc(n1)N 1P028FVR [1,1,0,0,0,0|2,0,0]=4 1704 B8R1.1 ClCc1noc(n1)O 1P028KMH [1,1,0,0,0,0|2,0,0]=4 1705 B8R1.1 ClCc1nsc(=O)o1 1P027VYR [1,1,0,0,0,0|2,0,0]=4 1706 B8R1.1 ClCc1scc(n1)Cl 1P028XL3 [1,1,0,0,0,0|1,1,0]=4 1707 B8R1.1 Clc1cnc(s1)CBr 1P027XOR [1,1,0,0,0,0|1,1,0]=4 1708 B8R1.1 Clc1nc(co1)C#N 1P01DL2H [1,1,0,0,0,0|1,0,1]=4 1709 B8R1.1 Clc1nc(co1)CBr 1P00FGUZ [1,1,0,0,0,0|1,0,0]=3 1710 B8R1.1 Clc1ncc(s1)CBr 1P002LBR [1,1,0,0,0,0|1,1,0]=4 1711 B8R1.1 Cn1cc(nc1)CBr 1P01DWLT [1,1,0,0,0,0|2,0,0]=4 1712 B8R1.1 Cn1cc(nc1)CCl 1P003AIV [1,1,0,0,0,0|2,0,0]=4 1713 B8R1.1 Cn1cc(nc1)CN 1P001BKI [1,1,0,0,0,0|2,0,0]=4 1714 B8R1.1 Cn1cc(nc1)CN 1P006WSU [1,1,0,0,0,0|2,0,0]=4 1715 B8R1.1 Cn1cc(nc1)CO 1P007CRN [1,1,0,0,0,0|2,0,0]=4 1716 B8R1.1 Cn1ccc(n1)CBr 1P007YYV [1,1,0,0,0,0|2,0,0]=4 1717 B8R1.1 Cn1ccc(n1)CCl 1P004VXY [1,1,0,0,0,0|2,0,0]=4 1718 B8R1.1 Cn1ccc(n1)CCl 1P00GYEG [1,1,0,0,0,0|2,0,0]=4 1719 B8R1.1 Cn1ccc(n1)CN 1P0037JG [1,1,0,0,0,0|2,0,0]=4 1720 B8R1.1 Cn1ccc(n1)CN 1P008Y2B [1,1,0,0,0,0|2,0,0]=4 1721 B8R1.1 Cn1ccc(n1)CO 1P0036US [1,1,0,0,0,0|2,0,0]=4 1722 B8R1.1 Cn1ccc(n1)CS 1P0289RD [1,1,0,0,0,0|2,0,0]=4 1723 B8R1.1 Cn1nc(cn1)CBr 1P00H66O [1,1,0,0,0,0|2,0,0]=4 1724 B8R1.1 Cn1nc(cn1)CCl 1P01ALI6 [1,1,0,0,0,0|2,0,0]=4 1725 B8R1.1 Cn1nc(cn1)CN 1P01BBNH [1,1,0,0,0,0|2,0,0]=4 1726 B8R1.1 Cn1nc(cn1)CO 1P01BAN8 [1,1,0,0,0,0|2,0,0]=4 1727 B8R1.1 Cn1nc(cn1)CS 1P0292L5 [1,1,0,0,0,0|2,0,0]=4 1728 B8R1.1 Ic1nc(co1)C#N 1P01K13C [1,1,0,0,0,0|1,0,1]=4 1729 B8R1.1 NCc1[nH]cc(n1)C 1P00G8P1 [1,1,0,0,0,0|1,0,0]=3 1730 B8R1.1 NCc1[nH]nc(c1)C 1P00HBXH [1,1,0,0,0,0|2,0,0]=4 1731 B8R1.1 NCc1cc(co1)Br 1P01KKNK [1,1,0,0,0,0|2,0,0]=4 1732 B8R1.1 NCc1cc(co1)Br 1P028RHQ [1,1,0,0,0,0|2,0,0]=4 1733 B8R1.1 NCc1ccc(o1)Br 1P002T5R [1,1,0,0,0,0|2,0,0]=4 1734 B8R1.1 NCc1ccc(o1)Br 1P01AGAI [1,1,0,0,0,0|2,0,0]=4 1735 B8R1.1 NCc1ccc(o1)Cl 1P00BSTO [1,1,0,0,0,0|2,0,0]=4 1736 B8R1.1 NCc1cnc(s1)Br 1P0001K3 [1,1,0,0,0,0|1,1,0]=4 1737 B8R1.1 NCc1cnc(s1)Br 1P00105E [1,1,0,0,0,0|1,1,0]=4 1738 B8R1.1 NCc1cnc(s1)Br 1P01B9CA [1,1,0,0,0,0|1,1,0]=4 1739 B8R1.1 NCc1cnc(s1)Cl 1P0036LR [1,1,0,0,0,0|1,1,0]=4 1740 B8R1.1 NCc1cnc(s1)Cl 1P00AKVT [1,1,0,0,0,0|1,1,0]=4 1741 B8R1.1 NCc1cnc(s1)N 1P01EKLE [1,1,0,0,0,0|1,1,0]=4 1742 B8R1.1 NCc1cnn(c1)C 1P00397N [1,1,0,0,0,0|2,0,0]=4 1743 B8R1.1 NCc1cnn(c1)C 1P007UMZ [1,1,0,0,0,0|2,0,0]=4 1744 B8R1.1 NCc1cnn(c1)C 1P00915K [1,1,0,0,0,0|2,0,0]=4 1745 B8R1.1 NCc1coc(c1)C 1P01E7IU [1,1,0,0,0,0|1,0,0]=3 1746 B8R1.1 NCc1coc(n1)Cl 1P01ANLV [1,1,0,0,0,0|1,0,0]=3 1747 B8R1.1 NCc1csc(c1)C 1P01APJ1 [1,1,0,0,0,0|1,1,0]=4 1748 B8R1.1 NCc1csc(n1)Br 1P027TAK [1,1,0,0,0,0|1,1,0]=4 1749 B8R1.1 NCc1csc(n1)C 1P00932M [1,1,0,0,0,0|0,1,0]=3 1750 B8R1.1 NCc1csc(n1)Cl 1P01K1JR [1,1,0,0,0,0|1,1,0]=4 1751 B8R1.1 NCc1csc(n1)N 1P00J1OY [1,1,0,0,0,0|1,1,0]=4 1752 B8R1.1 NCc1n[nH]c(=O)o1 1P01R7JR [1,1,0,0,0,0|2,0,0]=4 1753 B8R1.1 NCc1n[nH]c(=S)o1 1P01AD27 [1,1,0,0,0,0|2,0,0]=4 1754 B8R1.1 NCc1n[nH]c(n1)C 1P009463 [1,1,0,0,0,0|2,0,0]=4 1755 B8R1.1 NCc1nc(=O)o[nH]1 1P01A2KS [1,1,0,0,0,0|2,0,0]=4 1756 B8R1.1 NCc1nc(cs1)Br 1P00FCIU [1,1,0,0,0,0|1,1,0]=4 1757 B8R1.1 NCc1nc(cs1)Br 1P00HG5X [1,1,0,0,0,0|1,1,0]=4 1758 B8R1.1 NCc1nc(cs1)Cl 1P023ODU [1,1,0,0,0,0|1,1,0]=4 1759 B8R1.1 NCc1ncc(s1)Br 1P001GXO [1,1,0,0,0,0|1,1,0]=4 1760 B8R1.1 NCc1ncc(s1)C 1P003FFM [1,1,0,0,0,0|0,1,0]=3 1761 B8R1.1 NCc1ncc(s1)Cl 1P00932P [1,1,0,0,0,0|1,1,0]=4 1762 B8R1.1 NCc1ncc(s1)Cl 1P00932Q [1,1,0,0,0,0|1,1,0]=4 1763 B8R1.1 NCc1ncc(s1)I 1P02806H [1,1,0,0,0,0|1,1,0]=4 1764 B8R1.1 NCc1ncn(c1)C 1P002311 [1,1,0,0,0,0|2,0,0]=4 1765 B8R1.1 NCc1ncn(n1)C 1P00IL7B [1,1,0,0,0,0|2,0,0]=4 1766 B8R1.1 NCc1nnc(o1)N 1P01AG05 [1,1,0,0,0,0|2,0,0]=4 1767 B8R1.1 NCc1noc(n1)C 1P009122 [1,1,0,0,0,0|1,0,0]=3 1768 B8R1.1 NCc1occ(n1)C 1P027X5U [1,1,0,0,0,0|0,0,0]=2 1769 B8R1.1 NCc1scc(n1)Br 1P0282HW [1,1,0,0,0,0|1,1,0]=4 1770 B8R1.1 NCc1scc(n1)C 1P00J3IM [1,1,0,0,0,0|0,1,0]=3 1771 B8R1.1 NNc1cnc(s1)C 1P028I3Q [1,1,0,0,0,0|1,1,0]=4 1772 B8R1.1 Nc1nc(co1)C#N 1P01BTVE [1,1,0,0,0,0|1,0,1]=4 1773 B8R1.1 Nc1nc(co1)CO 1P002FN9 [1,1,0,0,0,0|1,0,0]=3 1774 B8R1.1 Nc1nc(cs1)CCl 1P00EA56 [1,1,0,0,0,0|1,1,0]=4 1775 B8R1.1 Nc1nc(cs1)CCl 1P00FBF3 [1,1,0,0,0,0|1,1,0]=4 1776 B8R1.1 Nc1nc(cs1)CF 1P01BKUC [1,1,0,0,0,0|1,1,0]=4 1777 B8R1.1 Nc1nc(cs1)CO 1P00DEM1 [1,1,0,0,0,0|1,1,0]=4 1778 B8R1.1 Nc1nc(cs1)CO 1P01BBKH [1,1,0,0,0,0|1,1,0]=4 1779 B8R1.1 Nc1ncc(o1)C#N 1P0284TM [1,1,0,0,0,0|1,0,1]=4 1780 B8R1.1 Nc1ncc(o1)C=O 1P028XIS [1,1,0,0,0,0|1,0,1]=4 1781 B8R1.1 Nc1ncc(s1)CO 1P000W4R [1,1,0,0,0,0|1,1,0]=4 1782 B8R1.1 Nc1nnc(o1)CCl 1P01DVN0 [1,1,0,0,0,0|2,0,0]=4 1783 B8R1.1 Nc1nnc(o1)CO 1P00VVOM [1,1,0,0,0,0|2,0,0]=4 1784 B8R1.1 OCc1c[nH]c(n1)Cl 1P028MZ5 [1,1,0,0,0,0|2,0,0]=4 1785 B8R1.1 OCc1cc(co1)Cl 1P01EMTV [1,1,0,0,0,0|2,0,0]=4 1786 B8R1.1 OCc1ccc(o1)Br 1P00BGK4 [1,1,0,0,0,0|2,0,0]=4 1787 B8R1.1 OCc1cnc([nH]1)Br 1P028M54 [1,1,0,0,0,0|2,0,0]=4 1788 B8R1.1 OCc1cnc(o1)Br 1P0095BO [1,1,0,0,0,0|1,0,0]=3 1789 B8R1.1 OCc1cnc(o1)N 1P01FJXQ [1,1,0,0,0,0|1,0,0]=3 1790 B8R1.1 OCc1cnc(s1)Br 1P006HSF [1,1,0,0,0,0|1,1,0]=4 1791 B8R1.1 OCc1cnc(s1)Cl 1P001KY7 [1,1,0,0,0,0|1,1,0]=4 1792 B8R1.1 OCc1cnn(c1)C 1P008UP9 [1,1,0,0,0,0|2,0,0]=4 1793 B8R1.1 OCc1coc(c1)C 1P01ACSN [1,1,0,0,0,0|1,0,0]=3 1794 B8R1.1 OCc1coc(n1)Br 1P008V6W [1,1,0,0,0,0|1,0,0]=3 1795 B8R1.1 OCc1csc(c1)C 1P00CG87 [1,1,0,0,0,0|1,1,0]=4 1796 B8R1.1 OCc1csc(n1)Br 1P00DEFQ [1,1,0,0,0,0|1,1,0]=4 1797 B8R1.1 OCc1csc(n1)Br 1P00J2FF [1,1,0,0,0,0|1,1,0]=4 1798 B8R1.1 OCc1csc(n1)Cl 1P00DJHX [1,1,0,0,0,0|1,1,0]=4 1799 B8R1.1 OCc1csc(n1)F 1P00B931 [1,1,0,0,0,0|1,1,0]=4 1800 B8R1.1 OCc1nc(c[nH]1)Br 1P01BCBB [1,1,0,0,0,0|2,0,0]=4 1801 B8R1.1 OCc1nc(cs1)Br 1P002A0S [1,1,0,0,0,0|1,1,0]=4 1802 B8R1.1 OCc1nc(no1)Br 1P028FDR [1,1,0,0,0,0|2,0,0]=4 1803 B8R1.1 OCc1ncc(s1)Br 1P00H1FC [1,1,0,0,0,0|1,1,0]=4 1804 B8R1.1 OCc1ncc(s1)Cl 1P00I9IK [1,1,0,0,0,0|1,1,0]=4 1805 B8R1.1 OCc1ncn(n1)C 1P0039EJ [1,1,0,0,0,0|2,0,0]=4 1806 B8R1.1 OCc1noc(n1)C 1P002RPW [1,1,0,0,0,0|1,0,0]=3 1807 B8R1.1 SCc1ccc(o1)Cl 1P01EJ9A [1,1,0,0,0,0|2,0,0]=4 1808 B8R1.1 SCc1cnc(s1)Cl 1P01FFB6 [1,1,0,0,0,0|1,1,0]=4 1809 B8R1.1 SCc1cnn(c1)C 1P01C6ZV [1,1,0,0,0,0|2,0,0]=4 1810 B8R1.1 SCc1csc(c1)C 1P0291R6 [1,1,0,0,0,0|1,1,0]=4 1811 B8R1.1 SCc1noc(n1)C 1P02804A [1,1,0,0,0,0|1,0,0]=3 1812 B8R1.50 Brc1c(C)csc1C 1P008MHN [1,1,0,0,0,0|1,1,0]=4 1813 B8R1.50 Brc1c(C)noc1C 1P003LEI [1,1,0,0,0,0|2,0,0]=4 1814 B8R1.50 CC1=CN=C(Cl)N1C 1P01K3HS [1,1,0,0,0,0|2,0,0]=4 1815 B8R1.50 Cc1[nH]cc(c1C)C 1P00C0Q9 [1,1,0,0,0,0|1,0,1]=4 1816 B8R1.50 Cc1[nH]nc(c1Br)C 1P003LEL [1,1,0,0,0,0|2,0,0]=4 1817 B8R1.50 Cc1[nH]nc(c1C)C 1P00DD7V [1,1,0,0,0,0|2,0,0]=4 1818 B8R1.50 Cc1[nH]nc(c1Cl)C 1P001RM1 [1,1,0,0,0,0|2,0,0]=4 1819 B8R1.50 Cc1[nH]nc(c1Cl)C 1P01FLFQ [1,1,0,0,0,0|2,0,0]=4 1820 B8R1.50 Cc1[nH]nc(c1F)C 1P00EEM5 [1,1,0,0,0,0|2,0,0]=4 1821 B8R1.50 Cc1[nH]nc(c1I)C 1P00299N [1,1,0,0,0,0|2,0,0]=4 1822 B8R1.50 Cc1[nH]nc(c1N)C 1P0037T1 [1,1,0,0,0,0|2,0,0]=4 1823 B8R1.50 Cc1[nH]nc(c1N)C 1P01EIJ0 [1,1,0,0,0,0|2,0,0]=4 1824 B8R1.50 Cc1[nH]nc(c1O)C 1P007LJE [1,1,0,0,0,0|2,0,0]=4 1825 B8R1.50 Cc1[nH]nc(c1S)C 1P00Q4M1 [1,1,0,0,0,0|2,0,0]=4 1826 B8R1.50 Cc1ccc(n1C)C 1P003BGF [1,1,0,0,0,0|1,0,1]=4 1827 B8R1.50 Cc1ccc(n1N)C 1P00GEQ0 [1,1,0,0,0,0|1,0,1]=4 1828 B8R1.50 Cc1cnn(c1Br)C 1P001BAP [1,1,0,0,0,0|2,0,0]=4 1829 B8R1.50 Cc1cnn(c1I)C 1P01BK85 [1,1,0,0,0,0|2,0,0]=4 1830 B8R1.50 Cc1cnn(c1N)C 1P00C9D7 [1,1,0,0,0,0|2,0,0]=4 1831 B8R1.50 Cc1cnn(c1N)C 1P01B35G [1,1,0,0,0,0|2,0,0]=4 1832 B8R1.50 Cc1cnn(c1S)C 1P028F3D [1,1,0,0,0,0|2,0,0]=4 1833 B8R1.50 Cc1ncc(n1C)C 1P01KKYJ [1,1,0,0,0,0|1,0,0]=3 1834 B8R1.50 Cc1nnc(n1N)C 1P003L5R [1,1,0,0,0,0|2,0,0]=4 1835 B8R1.50 Clc1c(C)noc1C 1P007EOM [1,1,0,0,0,0|2,0,0]=4 1836 B8R1.50 Cn1c(C)ncc1Br 1P006XNY [1,1,0,0,0,0|2,0,0]=4 1837 B8R1.50 Cn1c(C)ncc1Cl 1P028CPZ [1,1,0,0,0,0|2,0,0]=4 1838 B8R1.50 Cn1c(C)ncc1N 1P028LQZ [1,1,0,0,0,0|2,0,0]=4 1839 B8R1.50 Cn1cnc(c1Br)C 1P00IEDX [1,1,0,0,0,0|2,0,0]=4 1840 B8R1.50 Cn1cnc(c1C)C 1P0028CS [1,1,0,0,0,0|2,0,0]=4 1841 B8R1.50 Cn1cnc(c1I)C 1P01APBZ [1,1,0,0,0,0|2,0,0]=4 1842 B8R1.50 Cn1cnc(c1N)C 1P0034N6 [1,1,0,0,0,0|2,0,0]=4 1843 B8R1.50 Ic1c(C)noc1C 1P003M10 [1,1,0,0,0,0|2,0,0]=4 1844 B8R1.50 Ic1c(C)nsc1C 1P028DY1 [1,1,0,0,0,0|2,0,0]=4 1845 B8R1.50 Nc1c(C)csc1C 1P01DU3J [1,1,0,0,0,0|1,1,0]=4 1846 B8R1.50 Nc1c(C)noc1C 1P003J5M [1,1,0,0,0,0|2,0,0]=4 1847 B8R1.50 Nc1c(C)nsc1C 1P01BCXK [1,1,0,0,0,0|2,0,0]=4 1848 B8R1.50 Oc1c(C)csc1C 1P028JZZ [1,1,0,0,0,0|1,1,0]=4 1849 B8R1.50 Oc1c(C)noc1C 1P00HSKS [1,1,0,0,0,0|2,0,0]=4 1850 B8R1.50 Sc1c(C)noc1C 1P028X7W [1,1,0,0,0,0|2,0,0]=4 1851 B8R1.51 CC1=NC(CO1)(C)C 1P0025MP [1,1,0,0,0,0|0,0,2]=4 1852 B8R1.11 BrCc1nccn1C 1P00J2TY [1,1,0,0,0,0|2,0,0]=4 1853 B8R1.11 CCc1c[nH]nc1C 1P01UOKS [1,1,0,0,0,0|2,0,0]=4 1854 B8R1.11 CCc1ncoc1Br 1P028G5M [1,1,0,0,0,0|1,0,0]=3 1855 B8R1.11 CCc1ncsc1Br 1P00KDXM [1,1,0,0,0,0|1,1,0]=4 1856 B8R1.11 CCc1ncsc1N 1P01A25Z [1,1,0,0,0,0|1,1,0]=4 1857 B8R1.11 CCc1ocnc1I 1P028UDH [1,1,0,0,0,0|1,0,0]=3 1858 B8R1.11 CCc1scnc1C 1P00C09C [1,1,0,0,0,0|0,1,0]=3 1859 B8R1.11 CCn1ccnc1C 1P007P91 [1,1,0,0,0,0|2,0,0]=4 1860 B8R1.11 CCn1nccc1C 1P00JCO2 [1,1,0,0,0,0|2,0,0]=4 1861 B8R1.11 CNc1ccnn1C 1P01AKMK [1,1,0,0,0,0|2,0,0]=4 1862 B8R1.11 CNc1ccnn1C 1P01AKML [1,1,0,0,0,0|2,0,0]=4 1863 B8R1.11 CNc1csnc1C 1P01FK14 [1,1,0,0,0,0|2,0,0]=4 1864 B8R1.11 CNc1nocc1C 1P028YWG [1,1,0,0,0,0|2,0,0]=4 1865 B8R1.11 CNc1nonc1C 1P027VVI [1,1,0,0,0,0|2,0,0]=4 1866 B8R1.11 COc1ccnn1C 1P00HUAZ [1,1,0,0,0,0|2,0,0]=4 1867 B8R1.11 COc1n[nH]cc1C 1P01EJ5X [1,1,0,0,0,0|2,0,0]=4 1868 B8R1.11 COc1ncsc1Br 1P01FIXZ [1,1,0,0,0,0|1,1,0]=4 1869 B8R1.11 CSc1ccoc1C 1P003I2Z [1,1,0,0,0,0|1,0,0]=3 1870 B8R1.11 CSc1nccn1C 1P001KPA [1,1,0,0,0,0|2,0,0]=4 1871 B8R1.11 Cc1c(C=O)nc[nH]1 1P003NBH [1,1,0,0,0,0|1,0,1]=4 1872 B8R1.11 Cc1c(CN)nn[nH]1 1P01A50V [1,1,0,0,0,0|2,0,0]=4 1873 B8R1.11 Cc1c(CN)nn[nH]1 1P0286B4 [1,1,0,0,0,0|2,0,0]=4 1874 B8R1.11 Cc1c(CO)nn[nH]1 1P028WYZ [1,1,0,0,0,0|2,0,0]=4 1875 B8R1.11 Cc1c(nc[nH]1)C#N 1P008TD0 [1,1,0,0,0,0|1,0,1]=4 1876 B8R1.11 Cc1c[nH]nc1CCl 1P01E9IH [1,1,0,0,0,0|2,0,0]=4 1877 B8R1.11 Cc1c[nH]nc1CO 1P01BH3L [1,1,0,0,0,0|2,0,0]=4 1878 B8R1.11 Cc1cnoc1CO 1P01UOB5 [1,1,0,0,0,0|2,0,0]=4 1879 B8R1.11 Cc1conc1CBr 1P01DTUW [1,1,0,0,0,0|2,0,0]=4 1880 B8R1.11 Cc1conc1CO 1P01BVDX [1,1,0,0,0,0|2,0,0]=4 1881 B8R1.11 Cc1conc1CS 1P0285XB [1,1,0,0,0,0|2,0,0]=4 1882 B8R1.11 Cc1csnc1CCl 1P027UC2 [1,1,0,0,0,0|2,0,0]=4 1883 B8R1.11 Cc1csnc1CO 1P028AK7 [1,1,0,0,0,0|2,0,0]=4 1884 B8R1.11 Cc1n[nH]cc1CN 1P00039D [1,1,0,0,0,0|2,0,0]=4 1885 B8R1.11 Cc1n[nH]cc1CN 1P019XQ2 [1,1,0,0,0,0|2,0,0]=4 1886 B8R1.11 Cc1n[nH]cc1CO 1P006WCZ [1,1,0,0,0,0|2,0,0]=4 1887 B8R1.11 Cc1nc[nH]c1CCl 1P00DFNK [1,1,0,0,0,0|1,0,0]=3 1888 B8R1.11 Cc1nc[nH]c1CN 1P00FS4D [1,1,0,0,0,0|1,0,0]=3 1889 B8R1.11 Cc1nc[nH]c1CO 1P002ZFD [1,1,0,0,0,0|1,0,0]=3 1890 B8R1.11 Cc1nc[nH]c1CO 1P003M7Q [1,1,0,0,0,0|1,0,0]=3 1891 B8R1.11 Cc1ncoc1C#N 1P0001Z4 [1,1,0,0,0,0|0,0,1]=3 1892 B8R1.11 Cc1ncoc1C=O 1P001QVV [1,1,0,0,0,0|0,0,1]=3 1893 B8R1.11 Cc1ncoc1CCl 1P00DLW6 [1,1,0,0,0,0|0,0,0]=2 1894 B8R1.11 Cc1ncoc1CCl 1P021N13 [1,1,0,0,0,0|0,0,0]=2 1895 B8R1.11 Cc1ncoc1CN 1P01AM79 [1,1,0,0,0,0|0,0,0]=2 1896 B8R1.11 Cc1ncoc1CN 1P01EIJH [1,1,0,0,0,0|0,0,0]=2 1897 B8R1.11 Cc1ncoc1CO 1P003M63 [1,1,0,0,0,0|0,0,0]=2 1898 B8R1.11 Cc1ncsc1C=C 1P0021R5 [1,1,0,0,0,0|0,1,1]=4 1899 B8R1.11 Cc1ncsc1C=O 1P003M9J [1,1,0,0,0,0|0,1,1]=4 1900 B8R1.11 Cc1ncsc1CBr 1P00J3DE [1,1,0,0,0,0|0,1,0]=3 1901 B8R1.11 Cc1ncsc1CCl 1P000UJQ [1,1,0,0,0,0|0,1,0]=3 1902 B8R1.11 Cc1ncsc1CN 1P00G55H [1,1,0,0,0,0|0,1,0]=3 1903 B8R1.11 Cc1ncsc1CO 1P002BFI [1,1,0,0,0,0|0,1,0]=3 1904 B8R1.11 Cc1nocc1CBr 1P01E8TO [1,1,0,0,0,0|2,0,0]=4 1905 B8R1.11 Cc1nocc1CCl 1P003WAH [1,1,0,0,0,0|2,0,0]=4 1906 B8R1.11 Cc1nocc1CN 1P0013IW [1,1,0,0,0,0|2,0,0]=4 1907 B8R1.11 Cc1nocc1CN 1P001BI9 [1,1,0,0,0,0|2,0,0]=4 1908 B8R1.11 Cc1nocc1CO 1P000274 [1,1,0,0,0,0|2,0,0]=4 1909 B8R1.11 Cc1nocc1CS 1P028FRL [1,1,0,0,0,0|2,0,0]=4 1910 B8R1.11 Cc1nonc1CBr 1P00J37H [1,1,0,0,0,0|2,0,0]=4 1911 B8R1.11 Cc1nonc1CCl 1P0033XG [1,1,0,0,0,0|2,0,0]=4 1912 B8R1.11 Cc1nonc1CN 1P000HSB [1,1,0,0,0,0|2,0,0]=4 1913 B8R1.11 Cc1nonc1CN 1P007HU1 [1,1,0,0,0,0|2,0,0]=4 1914 B8R1.11 Cc1nonc1CO 1P0053ZA [1,1,0,0,0,0|2,0,0]=4 1915 B8R1.11 Cc1nonc1CS 1P0284JS [1,1,0,0,0,0|2,0,0]=4 1916 B8R1.11 Cc1nscc1CCl 1P02907E [1,1,0,0,0,0|2,0,0]=4 1917 B8R1.11 Cc1nscc1CO 1P01DZBN [1,1,0,0,0,0|2,0,0]=4 1918 B8R1.11 Cc1occc1C=O 1P00DBXY [1,1,0,0,0,0|1,0,1]=4 1919 B8R1.11 Cc1occc1CN 1P00C939 [1,1,0,0,0,0|1,0,0]=3 1920 B8R1.11 Cc1occc1CN 1P019XAT [1,1,0,0,0,0|1,0,0]=3 1921 B8R1.11 Cc1occc1CO 1P003IP1 [1,1,0,0,0,0|1,0,0]=3 1922 B8R1.11 Cc1ocnc1C#C 1P028IZI [1,1,0,0,0,0|0,0,1]=3 1923 B8R1.11 Cc1ocnc1C#N 1P01A3FL [1,1,0,0,0,0|0,0,1]=3 1924 B8R1.11 Cc1ocnc1C=O 1P00MDY4 [1,1,0,0,0,0|0,0,1]=3 1925 B8R1.11 Cc1ocnc1CCl 1P000LYP [1,1,0,0,0,0|0,0,0]=2 1926 B8R1.11 Cc1ocnc1CO 1P00GW29 [1,1,0,0,0,0|0,0,0]=2 1927 B8R1.11 Cc1oncc1CCl 1P00HB0T [1,1,0,0,0,0|2,0,0]=4 1928 B8R1.11 Cc1oncc1CN 1P001BIA [1,1,0,0,0,0|2,0,0]=4 1929 B8R1.11 Cc1oncc1CN 1P01DI32 [1,1,0,0,0,0|2,0,0]=4 1930 B8R1.11 Cc1oncc1CO 1P00027F [1,1,0,0,0,0|2,0,0]=4 1931 B8R1.11 Cc1sccc1CCl 1P027UD7 [1,1,0,0,0,0|1,1,0]=4 1932 B8R1.11 Cc1sccc1CN 1P01FJXJ [1,1,0,0,0,0|1,1,0]=4 1933 B8R1.11 Cc1scnc1C=O 1P002SGK [1,1,0,0,0,0|0,1,1]=4 1934 B8R1.11 Cc1scnc1CCl 1P00HWGE [1,1,0,0,0,0|0,1,0]=3 1935 B8R1.11 Cc1scnc1CN 1P028ZJJ [1,1,0,0,0,0|0,1,0]=3 1936 B8R1.11 Cc1scnc1CO 1P004N28 [1,1,0,0,0,0|0,1,0]=3 1937 B8R1.11 Cc1scnc1CO 1P00J30A [1,1,0,0,0,0|0,1,0]=3 1938 B8R1.11 Cc1snnc1CO 1P00HIYY [1,1,0,0,0,0|1,1,0]=4 1939 B8R1.11 ClCc1nccn1C 1P002G9F [1,1,0,0,0,0|2,0,0]=4 1940 B8R1.11 ClCc1nccn1C 1P005KGZ [1,1,0,0,0,0|2,0,0]=4 1941 B8R1.11 ClCc1snnc1C 1P0051G6 [1,1,0,0,0,0|1,1,0]=4 1942 B8R1.11 Cn1nccc1CBr 1P01BSNZ [1,1,0,0,0,0|2,0,0]=4 1943 B8R1.11 Cn1nccc1CCl 1P003MNQ [1,1,0,0,0,0|2,0,0]=4 1944 B8R1.11 Cn1nccc1CCl 1P00G7HY [1,1,0,0,0,0|2,0,0]=4 1945 B8R1.11 Cn1nccc1CN 1P003MNB [1,1,0,0,0,0|2,0,0]=4 1946 B8R1.11 Cn1nccc1CN 1P0093F9 [1,1,0,0,0,0|2,0,0]=4 1947 B8R1.11 Cn1nccc1CO 1P008I3U [1,1,0,0,0,0|2,0,0]=4 1948 B8R1.11 Cn1nccc1CS 1P028GXP [1,1,0,0,0,0|2,0,0]=4 1949 B8R1.11 Cn1ncnc1CCl 1P009MOF [1,1,0,0,0,0|2,0,0]=4 1950 B8R1.11 Cn1ncnc1CN 1P002OOE [1,1,0,0,0,0|2,0,0]=4 1951 B8R1.11 Cn1ncnc1CN 1P01A4FS [1,1,0,0,0,0|2,0,0]=4 1952 B8R1.11 Cn1ncnc1CO 1P0037FL [1,1,0,0,0,0|2,0,0]=4 1953 B8R1.11 Cn1ncnc1CO 1P01BCIZ [1,1,0,0,0,0|2,0,0]=4 1954 B8R1.11 NCc1c[nH]nc1C 1P01A7EA [1,1,0,0,0,0|2,0,0]=4 1955 B8R1.11 NCc1ccnn1C 1P0091AA [1,1,0,0,0,0|2,0,0]=4 1956 B8R1.11 NCc1csnc1C 1P027W0J [1,1,0,0,0,0|2,0,0]=4 1957 B8R1.11 NCc1n[nH]cc1C 1P00ILM5 [1,1,0,0,0,0|2,0,0]=4 1958 B8R1.11 NCc1nc[nH]c1C 1P019TWY [1,1,0,0,0,0|1,0,0]=3 1959 B8R1.11 NCc1nccn1C 1P000MAC [1,1,0,0,0,0|2,0,0]=4 1960 B8R1.11 NCc1nccn1C 1P007XU1 [1,1,0,0,0,0|2,0,0]=4 1961 B8R1.11 NCc1nccn1C 1P00DIDN [1,1,0,0,0,0|2,0,0]=4 1962 B8R1.11 NCc1occc1C 1P00CM1P [1,1,0,0,0,0|1,0,0]=3 1963 B8R1.11 NCc1sccc1C 1P003C9G [1,1,0,0,0,0|1,1,0]=4 1964 B8R1.11 NCc1sccc1C 1P00HBEG [1,1,0,0,0,0|1,1,0]=4 1965 B8R1.11 NCc1snnc1C 1P0054CL [1,1,0,0,0,0|1,1,0]=4 1966 B8R1.11 OCc1nccn1C 1P001ZA4 [1,1,0,0,0,0|2,0,0]=4 1967 B8R1.11 OCc1nccn1C 1P01A20A [1,1,0,0,0,0|2,0,0]=4 1968 B8R1.11 OCc1ncsc1Br 1P01C4HA [1,1,0,0,0,0|1,1,0]=4 1969 B8R1.11 OCc1occc1C 1P00C2AP [1,1,0,0,0,0|1,0,0]=3 1970 B8R1.11 OCc1sccc1C 1P00EJFD [1,1,0,0,0,0|1,1,0]=4 1971 B8R1.11 OCc1scnc1Br 1P002SVS [1,1,0,0,0,0|1,1,0]=4 1972 B8R1.11 OCc1scnc1Cl 1P0008BK [1,1,0,0,0,0|1,1,0]=4 1973 B8R1.11 OCc1snnc1C 1P001U2A [1,1,0,0,0,0|1,1,0]=4 1974 B8R1.11 SCc1occc1C 1P01EJ9G [1,1,0,0,0,0|1,0,0]=3 1975 B10R1.8 BrCc1cc(C)cc(c1)C 1P00I5LX [0,1,0,0,0,1|2,0,0]=4 1976 B10R1.8 BrCc1cc(C)cc(n1)C 1P009ZMT [0,1,0,0,0,1|1,0,0]=3 1977 B10R1.8 BrCc1cc(C)cc(n1)C 1P00G4NY [0,1,0,0,0,1|1,0,0]=3 1978 B10R1.8 BrCc1cc(C)nc(c1)C 1P01K182 [0,1,0,0,0,1|1,0,0]=3 1979 B10R1.8 BrCc1cc(C)nc(c1)Cl 1P000JU5 [0,1,0,0,0,1|2,0,0]=4 1980 B10R1.8 C#Cc1cc(C)nc(c1)C 1P01DX7I [0,1,0,0,0,1|1,0,1]=4 1981 B10R1.8 C#Cc1nc(C)cc(n1)C 1P01XD5Z [0,1,0,0,0,1|1,0,1]=4 1982 B10R1.8 C=Cc1cc(C)nc(n1)C 1P00A7O9 [0,1,0,0,0,1|1,0,1]=4 1983 B10R1.8 CCc1cc(Br)nc(n1)C 1P01BNXT [0,1,0,0,0,1|2,0,0]=4 1984 B10R1.8 CCc1cc(C)cc(c1)C 1P003N6W [0,1,0,0,0,1|2,0,0]=4 1985 B10R1.8 CCc1cc(C)nc(=O)[nH]1 1P00GENJ [0,1,0,0,0,1|2,0,0]=4 1986 B10R1.8 CCc1cc(C)nc(n1)Cl 1P00ER02 [0,1,0,0,0,1|2,0,0]=4 1987 B10R1.8 CCc1cc(C)nc(n1)N 1P009V2N [0,1,0,0,0,1|2,0,0]=4 1988 B10R1.8 CCc1cc(Cl)nc(n1)C 1P003LMG [0,1,0,0,0,1|2,0,0]=4 1989 B10R1.8 CCc1cc(N)nc(n1)C 1P00H4YQ [0,1,0,0,0,1|2,0,0]=4 1990 B10R1.8 CCc1cc(O)nc(n1)C 1P00DB5I [0,1,0,0,0,1|2,0,0]=4 1991 B10R1.8 CCc1nc(C)cc(n1)Br 1P0292AW [0,1,0,0,0,1|2,0,0]=4 1992 B10R1.8 CCc1nc(C)cc(n1)Cl 1P00DIXX [0,1,0,0,0,1|2,0,0]=4 1993 B10R1.8 CCc1nc(C)cc(n1)N 1P028EYO [0,1,0,0,0,1|2,0,0]=4 1994 B10R1.8 CN=c1nc(Cl)cc([nH]1)C 1P00EAQE [0,1,0,0,0,1|2,0,0]=4 1995 B10R1.8 CN=c1nc(Cl)nc([nH]1)C 1P00IAQ8 [0,1,0,0,0,1|2,0,0]=4 1996 B10R1.8 CNc1cc(Br)nc(n1)C 1P01K00A [0,1,0,0,0,1|2,0,0]=4 1997 B10R1.8 CNc1cc(C)cc(c1)C 1P019WOB [0,1,0,0,0,1|2,0,0]=4 1998 B10R1.8 CNc1cc(C)nc(n1)Cl 1P00C8ML [0,1,0,0,0,1|2,0,0]=4 1999 B10R1.8 CNc1cc(Cl)nc(n1)C 1P003NNB [0,1,0,0,0,1|2,0,0]=4 2000 B10R1.8 CNc1nc(C)cc(n1)C 1P00ANBN [0,1,0,0,0,1|1,0,0]=3 2001 B10R1.8 CNc1nc(C)nc(n1)O 1P01DX8M [0,1,0,0,0,1|2,0,0]=4 2002 B10R1.8 COc1cc(Br)cc(n1)C 1P00845P [0,1,0,0,0,1|2,0,0]=4 2003 B10R1.8 COc1cc(C)cc(c1)C 1P003J5E [0,1,0,0,0,1|2,0,0]=4 2004 B10R1.8 COc1cc(C)cc(n1)Br 1P01XCLZ [0,1,0,0,0,1|2,0,0]=4 2005 B10R1.8 COc1cc(C)cc(n1)C 1P01AC2K [0,1,0,0,0,1|1,0,0]=3 2006 B10R1.8 COc1cc(C)cc(n1)Cl 1P00BIR1 [0,1,0,0,0,1|2,0,0]=4 2007 B10R1.8 COc1cc(C)cc(n1)F 1P027WAB [0,1,0,0,0,1|2,0,0]=4 2008 B10R1.8 COc1cc(C)cc(n1)N 1P01ACZU [0,1,0,0,0,1|2,0,0]=4 2009 B10R1.8 COc1cc(C)nc(c1)Br 1P01K5GK [0,1,0,0,0,1|2,0,0]=4 2010 B10R1.8 COc1cc(C)nc(c1)Cl 1P000JSJ [0,1,0,0,0,1|2,0,0]=4 2011 B10R1.8 COc1cc(C)nc(n1)Br 1P00IAK1 [0,1,0,0,0,1|2,0,0]=4 2012 B10R1.8 COc1cc(C)nc(n1)C 1P001CEJ [0,1,0,0,0,1|1,0,0]=3 2013 B10R1.8 COc1cc(C)nc(n1)Cl 1P00BFRT [0,1,0,0,0,1|2,0,0]=4 2014 B10R1.8 COc1cc(C)nc(n1)N 1P005HX8 [0,1,0,0,0,1|2,0,0]=4 2015 B10R1.8 COc1cc(C)oc(=O)c1 1P0034JY [0,1,0,0,0,1|2,0,0]=4 2016 B10R1.8 COc1cc(Cl)nc(n1)C 1P00H1HG [0,1,0,0,0,1|2,0,0]=4 2017 B10R1.8 COc1cc(N)cc(n1)C 1P00GZ3R [0,1,0,0,0,1|2,0,0]=4 2018 B10R1.8 COc1cc(N)nc(n1)C 1P002MR8 [0,1,0,0,0,1|2,0,0]=4 2019 B10R1.8 COc1nc(C)cc(n1)C 1P001CEK [0,1,0,0,0,1|1,0,0]=3 2020 B10R1.8 COc1nc(C)cc(n1)Cl 1P00IKD4 [0,1,0,0,0,1|2,0,0]=4 2021 B10R1.8 COc1nc(C)cc(n1)N 1P00DGOE [0,1,0,0,0,1|2,0,0]=4 2022 B10R1.8 COc1nc(C)cc(n1)O 1P00IAGB [0,1,0,0,0,1|2,0,0]=4 2023 B10R1.8 COc1nc(C)nc(n1)N 1P001XF9 [0,1,0,0,0,1|2,0,0]=4 2024 B10R1.8 CSc1cc(C)nc(=O)[nH]1 1P001XL3 [0,1,0,0,0,1|2,0,0]=4 2025 B10R1.8 CSc1cc(C)nc(n1)Cl 1P00447T [0,1,0,0,0,1|2,0,0]=4 2026 B10R1.8 CSc1cc(Cl)nc(n1)C 1P00H064 [0,1,0,0,0,1|2,0,0]=4 2027 B10R1.8 CSc1nc(=O)cc([nH]1)C 1P00ECDF [0,1,0,0,0,1|2,0,0]=4 2028 B10R1.8 CSc1nc(C)cc(n1)C 1P001CEH [0,1,0,0,0,1|1,0,0]=3 2029 B10R1.8 CSc1nc(C)cc(n1)Cl 1P007UOX [0,1,0,0,0,1|2,0,0]=4 2030 B10R1.8 CSc1nc(C)cc(n1)N 1P002Q7E [0,1,0,0,0,1|2,0,0]=4 2031 B10R1.8 Cc1cc(CCl)oc(=O)c1 1P01I3US [0,1,0,0,0,1|2,0,0]=4 2032 B10R1.8 ClCc1cc(C)cc(c1)C 1P00BCG6 [0,1,0,0,0,1|2,0,0]=4 2033 B10R1.8 ClCc1cc(C)cc(n1)C 1P01EM9X [0,1,0,0,0,1|1,0,0]=3 2034 B10R1.8 ClCc1cc(C)cc(n1)Cl 1P000JV9 [0,1,0,0,0,1|2,0,0]=4 2035 B10R1.8 ClCc1cc(C)nc(c1)C 1P002CAN [0,1,0,0,0,1|1,0,0]=3 2036 B10R1.8 ClCc1cc(C)nc(c1)C 1P00979R [0,1,0,0,0,1|1,0,0]=3 2037 B10R1.8 ClCc1cc(C)nc(c1)Cl 1P001T4Q [0,1,0,0,0,1|2,0,0]=4 2038 B10R1.8 ClCc1cc(C)nc(n1)C 1P01A72C [0,1,0,0,0,1|1,0,0]=3 2039 B10R1.8 ClCc1cc(C)nc(n1)Cl 1P028L6F [0,1,0,0,0,1|2,0,0]=4 2040 B10R1.8 ClCc1cc(Cl)nc(n1)C 1P004XCC [0,1,0,0,0,1|2,0,0]=4 2041 B10R1.8 ClCc1cc(O)nc(n1)C 1P00C8V6 [0,1,0,0,0,1|2,0,0]=4 2042 B10R1.8 ClCc1nc(C)cc(n1)C 1P005K59 [0,1,0,0,0,1|1,0,0]=3 2043 B10R1.8 ClCc1nc(C)cc(n1)Cl 1P01A0BH [0,1,0,0,0,1|2,0,0]=4 2044 B10R1.8 ClCc1nc(C)cc(n1)O 1P006UQO [0,1,0,0,0,1|2,0,0]=4 2045 B10R1.8 N#Cc1cc(C)cc(n1)C 1P00G65W [0,1,0,0,0,1|1,0,1]=4 2046 B10R1.8 N#Cc1cc(C)nc(c1)C 1P00C19P [0,1,0,0,0,1|1,0,1]=4 2047 B10R1.8 N#Cc1nc(C)cc(n1)C 1P0034C8 [0,1,0,0,0,1|1,0,1]=4 2048 B10R1.8 NCc1cc(Br)cc(n1)C 1P01FPCL [0,1,0,0,0,1|2,0,0]=4 2049 B10R1.8 NCc1cc(Br)cc(n1)C 1P028AP2 [0,1,0,0,0,1|2,0,0]=4 2050 B10R1.8 NCc1cc(C)cc(c1)C 1P005KDA [0,1,0,0,0,1|2,0,0]=4 2051 B10R1.8 NCc1cc(C)cc(c1)C 1P01B5QU [0,1,0,0,0,1|2,0,0]=4 2052 B10R1.8 NCc1cc(C)cc(n1)C 1P00G57Y [0,1,0,0,0,1|1,0,0]=3 2053 B10R1.8 NCc1cc(C)cc(n1)Cl 1P000OUG [0,1,0,0,0,1|2,0,0]=4 2054 B10R1.8 NCc1cc(C)cc(n1)N 1P028L8V [0,1,0,0,0,1|2,0,0]=4 2055 B10R1.8 NCc1cc(C)nc(c1)C 1P00C8QF [0,1,0,0,0,1|1,0,0]=3 2056 B10R1.8 NCc1cc(C)nc(c1)Cl 1P01C5G4 [0,1,0,0,0,1|2,0,0]=4 2057 B10R1.8 NCc1cc(C)nc(c1)N 1P01AUT1 [0,1,0,0,0,1|2,0,0]=4 2058 B10R1.8 NCc1cc(C)nc(n1)C 1P01BA3T [0,1,0,0,0,1|1,0,0]=3 2059 B10R1.8 NCc1cc(C)nc(n1)Cl 1P027VV4 [0,1,0,0,0,1|2,0,0]=4 2060 B10R1.8 NCc1cc(O)cc(n1)C 1P028RE2 [0,1,0,0,0,1|2,0,0]=4 2061 B10R1.8 NCc1cc(O)nc(n1)C 1P00J2LR [0,1,0,0,0,1|2,0,0]=4 2062 B10R1.8 NCc1nc(C)cc(=O)[nH]1 1P01C68F [0,1,0,0,0,1|2,0,0]=4 2063 B10R1.8 NCc1nc(C)cc(n1)C 1P0039YY [0,1,0,0,0,1|1,0,0]=3 2064 B10R1.8 NCc1nc(C)cc(n1)C 1P00J1G7 [0,1,0,0,0,1|1,0,0]=3 2065 B10R1.8 NCc1nc(C)cc(n1)O 1P00J1TX [0,1,0,0,0,1|2,0,0]=4 2066 B10R1.8 NNc1cc(C)cc(n1)C 1P028PJ9 [0,1,0,0,0,1|2,0,0]=4 2067 B10R1.8 NNc1cc(C)nc(c1)C 1P01B3K7 [0,1,0,0,0,1|2,0,0]=4 2068 B10R1.8 NNc1cc(C)nc(n1)C 1P006VT2 [0,1,0,0,0,1|2,0,0]=4 2069 B10R1.8 NNc1nc(C)cc(n1)C 1P00BFSQ [0,1,0,0,0,1|2,0,0]=4 2070 B10R1.8 O=Cc1cc(C)cc(n1)C 1P01HFRH [0,1,0,0,0,1|1,0,1]=4 2071 B10R1.8 O=Cc1cc(C)nc(c1)C 1P0023SO [0,1,0,0,0,1|1,0,1]=4 2072 B10R1.8 O=Cc1cc(C)nc(n1)C 1P0095P4 [0,1,0,0,0,1|1,0,1]=4 2073 B10R1.8 OCc1cc(Br)cc(n1)C 1P00D8SQ [0,1,0,0,0,1|2,0,0]=4 2074 B10R1.8 OCc1cc(C)cc(c1)C 1P003J5K [0,1,0,0,0,1|2,0,0]=4 2075 B10R1.8 OCc1cc(C)cc(n1)C 1P0022W6 [0,1,0,0,0,1|1,0,0]=3 2076 B10R1.8 OCc1cc(C)cc(n1)Cl 1P000JUH [0,1,0,0,0,1|2,0,0]=4 2077 B10R1.8 OCc1cc(C)nc(c1)Br 1P01BD50 [0,1,0,0,0,1|2,0,0]=4 2078 B10R1.8 OCc1cc(C)nc(c1)C 1P0022W5 [0,1,0,0,0,1|1,0,0]=3 2079 B10R1.8 OCc1cc(C)nc(c1)Cl 1P00ANI0 [0,1,0,0,0,1|2,0,0]=4 2080 B10R1.8 OCc1cc(C)nc(n1)C 1P00E4G4 [0,1,0,0,0,1|1,0,0]=3 2081 B10R1.8 OCc1cc(Cl)cc(n1)C 1P005VXS [0,1,0,0,0,1|2,0,0]=4 2082 B10R1.8 OCc1cc(N)cc(n1)C 1P027WZ3 [0,1,0,0,0,1|2,0,0]=4 2083 B10R1.8 OCc1nc(C)cc(n1)C 1P00DIIN [0,1,0,0,0,1|1,0,0]=3 2084 B10R1.8 OCc1nc(C)cc(n1)Cl 1P01BFQI [0,1,0,0,0,1|2,0,0]=4 2085 B10R1.8 OCc1nc(C)cc(n1)N 1P000T0R [0,1,0,0,0,1|2,0,0]=4 2086 B10R1.8 SCc1cc(C)cc(c1)C 1P019ZTB [0,1,0,0,0,1|2,0,0]=4 2087 B10R1.22 Brc1cc(C)c(c(n1)C)Br 1P01ECW0 [0,1,0,0,0,1|2,0,0]=4 2088 B10R1.22 Brc1cc(C)c(c(n1)C)Cl 1P024VVR [0,1,0,0,0,1|2,0,0]=4 2089 B10R1.22 Brc1cc(C)c(c(n1)C)N 1P00H132 [0,1,0,0,0,1|2,0,0]=4 2090 B10R1.22 Cc1[nH]c(C)c(c(=N)n1)C 1P01EKJF [0,1,0,0,0,1|2,0,0]=4 2091 B10R1.22 Cc1cc(Br)c(c(n1)C)Br 1P005JTA [0,1,0,0,0,1|2,0,0]=4 2092 B10R1.22 Cc1cc(Br)c(c(n1)C)F 1P00CMW5 [0,1,0,0,0,1|2,0,0]=4 2093 B10R1.22 Cc1cc(C)c(c(c1)C)Br 1P003H2L [0,1,0,0,0,1|2,0,0]=4 2094 B10R1.22 Cc1cc(C)c(c(c1)C)C 1P003DR4 [0,1,0,0,0,1|2,0,0]=4 2095 B10R1.22 Cc1cc(C)c(c(c1)C)Cl 1P001XDH [0,1,0,0,0,1|2,0,0]=4 2096 B10R1.22 Cc1cc(C)c(c(c1)C)F 1P003G4G [0,1,0,0,0,1|2,0,0]=4 2097 B10R1.22 Cc1cc(C)c(c(c1)C)I 1P0038CE [0,1,0,0,0,1|2,0,0]=4 2098 B10R1.22 Cc1cc(C)c(c(c1)C)N 1P003GSQ [0,1,0,0,0,1|2,0,0]=4 2099 B10R1.22 Cc1cc(C)c(c(c1)C)O 1P003G4I [0,1,0,0,0,1|2,0,0]=4 2100 B10R1.22 Cc1cc(C)c(c(c1)C)S 1P003G4M [0,1,0,0,0,1|2,0,0]=4 2101 B10R1.22 Cc1cc(C)c(c(c1)C)[Cu] 1P008PZK [0,1,0,0,0,1|2,0,0]=4 2102 B10R1.22 Cc1cc(C)c(c(n1)Br)Br 1P00IB99 [0,1,0,0,0,1|2,0,0]=4 2103 B10R1.22 Cc1cc(C)c(c(n1)Br)N 1P007XSX [0,1,0,0,0,1|2,0,0]=4 2104 B10R1.22 Cc1cc(C)c(c(n1)C)Br 1P00BFYW [0,1,0,0,0,1|1,0,0]=3 2105 B10R1.22 Cc1cc(C)c(c(n1)C)N 1P006WC5 [0,1,0,0,0,1|1,0,0]=3 2106 B10R1.22 Cc1cc(C)c(c(n1)C)N 1P019L1U [0,1,0,0,0,1|1,0,0]=3 2107 B10R1.22 Cc1cc(C)c(c(n1)C)[IH+] 1P003OOO [0,1,0,0,0,1|1,0,0]=3 2108 B10R1.22 Cc1cc(C)c(c(n1)Cl)Cl 1P01EGYC [0,1,0,0,0,1|2,0,0]=4 2109 B10R1.22 Cc1cc(C)c(c(n1)Cl)N 1P009CGT [0,1,0,0,0,1|2,0,0]=4 2110 B10R1.22 Cc1cc(C)c(c(n1)N)N 1P00DEOS [0,1,0,0,0,1|2,0,0]=4 2111 B10R1.22 Cc1cc(C)c(c(n1)O)Cl 1P028TKP [0,1,0,0,0,1|2,0,0]=4 2112 B10R1.22 Cc1cc(C)cc([n+]1F)C 1P003ESH [0,1,0,0,0,1|1,0,1]=4 2113 B10R1.22 Cc1cc(C)cc([n+]1F)C 1P003ESI [0,1,0,0,0,1|1,0,1]=4 2114 B10R1.22 Cc1cc(Cl)c(c(n1)C)O 1P01XCNC [0,1,0,0,0,1|2,0,0]=4 2115 B10R1.22 Cc1cc(N)c(c(n1)C)Br 1P00I6YE [0,1,0,0,0,1|2,0,0]=4 2116 B10R1.22 Cc1cc(O)c(c(n1)C)C 1P00BBIP [0,1,0,0,0,1|2,0,0]=4 2117 B10R1.22 Cc1cc(O)c(c(n1)C)N 1P00D87Z [0,1,0,0,0,1|2,0,0]=4 2118 B10R1.22 Cc1nc(C)c(c(n1)C)N 1P027UJ8 [0,1,0,0,0,1|1,0,0]=3 2119 B10R1.22 Cc1nc(C)c(c(n1)C)O 1P00FDO1 [0,1,0,0,0,1|1,0,0]=3 2120 B10R1.22 Cc1nc(C)c(c(n1)Cl)Br 1P005V9Q [0,1,0,0,0,1|2,0,0]=4 2121 B10R1.22 Cc1nc(C)c(c(n1)Cl)C 1P00CNBZ [0,1,0,0,0,1|2,0,0]=4 2122 B10R1.22 Cc1nc(C)c(c(n1)Cl)Cl 1P00HB65 [0,1,0,0,0,1|2,0,0]=4 2123 B10R1.22 Cc1nc(C)c(c(n1)Cl)F 1P01A9F5 [0,1,0,0,0,1|2,0,0]=4 2124 B10R1.22 Cc1nc(C)c(c(n1)Cl)I 1P0054XI [0,1,0,0,0,1|2,0,0]=4 2125 B10R1.22 Cc1nc(C)c(c(n1)N)Cl 1P002W7Y [0,1,0,0,0,1|2,0,0]=4 2126 B10R1.22 Cc1nc(C)c(c(n1)N)F 1P01EC5E [0,1,0,0,0,1|2,0,0]=4 2127 B10R1.22 Cc1nc(C)c(c(n1)O)Br 1P004OP7 [0,1,0,0,0,1|2,0,0]=4 2128 B10R1.22 Cc1nc(C)c(c(n1)O)C 1P00GTYI [0,1,0,0,0,1|2,0,0]=4 2129 B10R1.22 Clc1cc(C)c(c(n1)C)Br 1P00H1H8 [0,1,0,0,0,1|2,0,0]=4 2130 B10R1.22 Clc1cc(C)c(c(n1)C)C 1P00C9A8 [0,1,0,0,0,1|2,0,0]=4 2131 B10R1.22 Clc1cc(C)c(c(n1)C)Cl 1P01EC4H [0,1,0,0,0,1|2,0,0]=4 2132 B10R1.22 Clc1cc(C)c(c(n1)C)N 1P001MTN [0,1,0,0,0,1|2,0,0]=4 2133 B10R1.22 Clc1nc(C)c(c(n1)C)Br 1P003MXF [0,1,0,0,0,1|2,0,0]=4 2134 B10R1.22 Clc1nc(C)c(c(n1)C)Cl 1P00I40R [0,1,0,0,0,1|2,0,0]=4 2135 B10R1.22 Clc1nc(C)c(c(n1)C)F 1P000IWH [0,1,0,0,0,1|2,0,0]=4 2136 B10R1.22 Fc1cc(C)c(c(n1)C)Br 1P01K189 [0,1,0,0,0,1|2,0,0]=4 2137 B10R1.22 Nc1cc(C)c(c(n1)C)Br 1P003MZN [0,1,0,0,0,1|2,0,0]=4 2138 B10R1.22 Nc1cc(C)c(c(n1)C)Cl 1P01EFTT [0,1,0,0,0,1|2,0,0]=4 2139 B10R1.22 Nc1nc(C)c(c(n1)C)Br 1P003GX2 [0,1,0,0,0,1|2,0,0]=4 2140 B10R1.22 Nc1nc(C)c(c(n1)C)C 1P00DDQG [0,1,0,0,0,1|2,0,0]=4 2141 B10R1.22 Nc1nc(C)c(c(n1)C)I 1P00299L [0,1,0,0,0,1|2,0,0]=4 2142 B10R1.22 Nc1nc(C)c(c(n1)C)O 1P00G2CX [0,1,0,0,0,1|2,0,0]=4 2143 B10R1.22 O=c1nc(C)[nH]c(c1F)C 1P006RE9 [0,1,0,0,0,1|2,0,0]=4 2144 B10R1.22 O=c1nc(C)c(c([nH]1)C)Br 1P00GA60 [0,1,0,0,0,1|2,0,0]=4 2145 B10R1.25 BrCc1ccc(cc1C)C 1P008O40 [0,1,0,0,0,1|2,0,0]=4 2146 B10R1.25 BrCc1cnc(nc1N)C 1P002XQ6 [0,1,0,0,0,1|2,0,0]=4 2147 B10R1.25 BrCc1ncc(cc1C)Br 1P0289QP [0,1,0,0,0,1|2,0,0]=4 2148 B10R1.25 C#Cc1ncc(cc1C)C 1P01DZJK [0,1,0,0,0,1|1,0,1]=4 2149 B10R1.25 C=Cc1ncc(cc1C)C 1P01C587 [0,1,0,0,0,1|1,0,1]=4 2150 B10R1.25 CCc1ccc(cc1C)C 1P003LSU [0,1,0,0,0,1|2,0,0]=4 2151 B10R1.25 CCc1ccc(nc1N)C 1P003GU7 [0,1,0,0,0,1|2,0,0]=4 2152 B10R1.25 CCc1cnc(cc1Br)C 1P0068JY [0,1,0,0,0,1|2,0,0]=4 2153 B10R1.25 CCc1ncc(cc1C)C 1P007TY5 [0,1,0,0,0,1|1,0,0]=3 2154 B10R1.25 CCc1ncc(nc1C)C 1P00HVY7 [0,1,0,0,0,1|1,0,0]=3 2155 B10R1.25 CNc1ccc(cc1C)C 1P000UMC [0,1,0,0,0,1|2,0,0]=4 2156 B10R1.25 CNc1ccc(cc1C)C 1P0285XH [0,1,0,0,0,1|2,0,0]=4 2157 B10R1.25 CNc1cnc(cc1C)C 1P028GBT [0,1,0,0,0,1|1,0,0]=3 2158 B10R1.25 CNc1ncc(cc1C)Br 1P002P3D [0,1,0,0,0,1|2,0,0]=4 2159 B10R1.25 COc1ccc(cc1C)C 1P003GAZ [0,1,0,0,0,1|2,0,0]=4 2160 B10R1.25 COc1ccc(nc1Br)C 1P00BD1B [0,1,0,0,0,1|2,0,0]=4 2161 B10R1.25 COc1ccc(nc1Cl)C 1P0029XJ [0,1,0,0,0,1|2,0,0]=4 2162 B10R1.25 COc1ccc(nc1N)C 1P00DJTZ [0,1,0,0,0,1|2,0,0]=4 2163 B10R1.25 COc1cnc(cc1Br)C 1P000OUS [0,1,0,0,0,1|2,0,0]=4 2164 B10R1.25 COc1cnc(cc1Br)C 1P01BEOB [0,1,0,0,0,1|2,0,0]=4 2165 B10R1.25 COc1cnc(nc1Br)C 1P01BBOD [0,1,0,0,0,1|2,0,0]=4 2166 B10R1.25 COc1cnc(nc1C)C 1P00132V [0,1,0,0,0,1|1,0,0]=3 2167 B10R1.25 COc1cnc(nc1C)Cl 1P000MNL [0,1,0,0,0,1|2,0,0]=4 2168 B10R1.25 COc1cnc(nc1C)N 1P0020I6 [0,1,0,0,0,1|2,0,0]=4 2169 B10R1.25 COc1cnc(nc1Cl)C 1P018HDY [0,1,0,0,0,1|2,0,0]=4 2170 B10R1.25 COc1cnc(nc1N)C 1P00FU04 [0,1,0,0,0,1|2,0,0]=4 2171 B10R1.25 COc1coc(cc1=O)C 1P01BUMZ [0,1,0,0,0,1|2,0,0]=4 2172 B10R1.25 COc1ncc(cc1Br)C 1P0062V6 [0,1,0,0,0,1|2,0,0]=4 2173 B10R1.25 COc1ncc(cc1C)Br 1P003MY3 [0,1,0,0,0,1|2,0,0]=4 2174 B10R1.25 COc1ncc(cc1C)C 1P01AUVZ [0,1,0,0,0,1|1,0,0]=3 2175 B10R1.25 COc1ncc(cc1C)F 1P00GV4H [0,1,0,0,0,1|2,0,0]=4 2176 B10R1.25 COc1ncc(cc1C)N 1P008FPQ [0,1,0,0,0,1|2,0,0]=4 2177 B10R1.25 COc1ncc(cc1C)O 1P0015WC [0,1,0,0,0,1|2,0,0]=4 2178 B10R1.25 COc1ncc(cc1Cl)C 1P000JTZ [0,1,0,0,0,1|2,0,0]=4 2179 B10R1.25 COc1ncc(cc1N)C 1P00BB1U [0,1,0,0,0,1|2,0,0]=4 2180 B10R1.25 COc1ncc(cc1O)C 1P009X7H [0,1,0,0,0,1|2,0,0]=4 2181 B10R1.25 COc1ncc(nc1C)C 1P006I0F [0,1,0,0,0,1|1,0,0]=3 2182 B10R1.25 CSc1ncc(nc1C)C 1P003BF8 [0,1,0,0,0,1|1,0,0]=3 2183 B10R1.25 Cc1cc(=O)c(n[nH]1)CO 1P01A4WD [0,1,0,0,0,1|2,0,0]=4 2184 B10R1.25 Cc1cc(Br)c(cn1)CBr 1P0283QT [0,1,0,0,0,1|2,0,0]=4 2185 B10R1.25 Cc1cc(Br)c(cn1)CO 1P027WJN [0,1,0,0,0,1|2,0,0]=4 2186 B10R1.25 Cc1cc(Br)ncc1CCl 1P0287UJ [0,1,0,0,0,1|2,0,0]=4 2187 B10R1.25 Cc1cc(Br)ncc1OC 1P01B1TZ [0,1,0,0,0,1|2,0,0]=4 2188 B10R1.25 Cc1cc(C)ncc1C#N 1P00FBKB [0,1,0,0,0,1|1,0,1]=4 2189 B10R1.25 Cc1cc(C)ncc1C=O 1P000DOU [0,1,0,0,0,1|1,0,1]=4 2190 B10R1.25 Cc1cc(C)ncc1CBr 1P0284LN [0,1,0,0,0,1|1,0,0]=3 2191 B10R1.25 Cc1cc(C)ncc1CCl 1P028DZR [0,1,0,0,0,1|1,0,0]=3 2192 B10R1.25 Cc1cc(C)ncc1CN 1P01C2CD [0,1,0,0,0,1|1,0,0]=3 2193 B10R1.25 Cc1cc(C)ncc1CO 1P028HQ6 [0,1,0,0,0,1|1,0,0]=3 2194 B10R1.25 Cc1cc(Cl)ncc1CN 1P028S1A [0,1,0,0,0,1|2,0,0]=4 2195 B10R1.25 Cc1cc(Cl)ncc1CO 1P009YMK [0,1,0,0,0,1|2,0,0]=4 2196 B10R1.25 Cc1cc(Cl)ncc1OC 1P00HHDW [0,1,0,0,0,1|2,0,0]=4 2197 B10R1.25 Cc1cc(Cl)nnc1OC 1P00IG78 [0,1,0,0,0,1|2,0,0]=4 2198 B10R1.25 Cc1cc(F)ncc1CCl 1P00JT2Q [0,1,0,0,0,1|2,0,0]=4 2199 B10R1.25 Cc1cc(F)ncc1CN 1P028JX2 [0,1,0,0,0,1|2,0,0]=4 2200 B10R1.25 Cc1cc(N)c(cn1)CO 1P001PWE [0,1,0,0,0,1|2,0,0]=4 2201 B10R1.25 Cc1ccc(c(n1)Br)CBr 1P00IINH [0,1,0,0,0,1|2,0,0]=4 2202 B10R1.25 Cc1ccc(c(n1)Cl)CBr 1P00A62V [0,1,0,0,0,1|2,0,0]=4 2203 B10R1.25 Cc1ccc(c(n1)Cl)CCl 1P00DJSK [0,1,0,0,0,1|2,0,0]=4 2204 B10R1.25 Cc1ccc(c(n1)Cl)CCl 1P028FYQ [0,1,0,0,0,1|2,0,0]=4 2205 B10R1.25 Cc1ccc(c(n1)Cl)CO 1P00FH6R [0,1,0,0,0,1|2,0,0]=4 2206 B10R1.25 Cc1ccc(c(n1)Cl)CO 1P028PBM [0,1,0,0,0,1|2,0,0]=4 2207 B10R1.25 Cc1nc(Br)ccc1CCl 1P0095OQ [0,1,0,0,0,1|2,0,0]=4 2208 B10R1.25 Cc1nc(Br)ccc1OC 1P004Y4C [0,1,0,0,0,1|2,0,0]=4 2209 B10R1.25 Cc1nc(C)ccc1C=O 1P00EAFE [0,1,0,0,0,1|1,0,1]=4 2210 B10R1.25 Cc1nc(C)ccc1CCl 1P01ADI3 [0,1,0,0,0,1|1,0,0]=3 2211 B10R1.25 Cc1nc(C)ccc1CO 1P00EKF5 [0,1,0,0,0,1|1,0,0]=3 2212 B10R1.25 Cc1nc(C)cnc1C=O 1P028JD8 [0,1,0,0,0,1|1,0,1]=4 2213 B10R1.25 Cc1nc(C)cnc1CCl 1P006JQR [0,1,0,0,0,1|1,0,0]=3 2214 B10R1.25 Cc1nc(Cl)ccc1CO 1P0097FR [0,1,0,0,0,1|2,0,0]=4 2215 B10R1.25 Cc1nc(Cl)ccc1OC 1P000U2H [0,1,0,0,0,1|2,0,0]=4 2216 B10R1.25 Cc1nc(F)ccc1CBr 1P0290NP [0,1,0,0,0,1|2,0,0]=4 2217 B10R1.25 Cc1nc(F)ccc1CN 1P028RDG [0,1,0,0,0,1|2,0,0]=4 2218 B10R1.25 Cc1nc(F)ccc1CO 1P00GV6T [0,1,0,0,0,1|2,0,0]=4 2219 B10R1.25 Cc1nc(O)ccc1OC 1P00CMLN [0,1,0,0,0,1|2,0,0]=4 2220 B10R1.25 Cc1ncc(c(=N)[nH]1)CN 1P00IJ53 [0,1,0,0,0,1|2,0,0]=4 2221 B10R1.25 ClCc1ccc(cc1C)C 1P003GB3 [0,1,0,0,0,1|2,0,0]=4 2222 B10R1.25 ClCc1ccc(nc1C)Cl 1P00959I [0,1,0,0,0,1|2,0,0]=4 2223 B10R1.25 ClCc1ccc(nc1C)Cl 1P01A3CN [0,1,0,0,0,1|2,0,0]=4 2224 B10R1.25 ClCc1cnc(cc1C)Cl 1P028LJ2 [0,1,0,0,0,1|2,0,0]=4 2225 B10R1.25 ClCc1cnc(nc1C)C 1P01BGQ7 [0,1,0,0,0,1|1,0,0]=3 2226 B10R1.25 ClCc1ncc(cc1Br)C 1P00A0JU [0,1,0,0,0,1|2,0,0]=4 2227 B10R1.25 ClCc1ncc(cc1C)C 1P0036GD [0,1,0,0,0,1|1,0,0]=3 2228 B10R1.25 ClCc1nnc(cc1C)Cl 1P01DVLH [0,1,0,0,0,1|2,0,0]=4 2229 B10R1.25 N#Cc1ncc(cc1C)C 1P003J5Z [0,1,0,0,0,1|1,0,1]=4 2230 B10R1.25 NCc1ccc(cc1C)C 1P006QW3 [0,1,0,0,0,1|2,0,0]=4 2231 B10R1.25 NCc1ccc(nc1C)N 1P00BGO3 [0,1,0,0,0,1|2,0,0]=4 2232 B10R1.25 NCc1cnc(cc1C)C 1P00J1GS [0,1,0,0,0,1|1,0,0]=3 2233 B10R1.25 NCc1cnc(nc1C)C 1P00CN74 [0,1,0,0,0,1|1,0,0]=3 2234 B10R1.25 NCc1cnc(nc1N)C 1P000JCM [0,1,0,0,0,1|2,0,0]=4 2235 B10R1.25 NCc1cnc(nc1N)C 1P00GYAX [0,1,0,0,0,1|2,0,0]=4 2236 B10R1.25 NCc1ncc(cc1C)Br 1P000P2Q [0,1,0,0,0,1|2,0,0]=4 2237 B10R1.25 NCc1ncc(cc1C)Br 1P00IFQN [0,1,0,0,0,1|2,0,0]=4 2238 B10R1.25 NCc1ncc(cc1C)C 1P000P3S [0,1,0,0,0,1|1,0,0]=3 2239 B10R1.25 NCc1ncc(cc1C)C 1P01BK0U [0,1,0,0,0,1|1,0,0]=3 2240 B10R1.25 NCc1ncc(cc1C)Cl 1P009DU9 [0,1,0,0,0,1|2,0,0]=4 2241 B10R1.25 O=Cc1cnc(nc1C)C 1P01A6HN [0,1,0,0,0,1|1,0,1]=4 2242 B10R1.25 O=Cc1ncc(cc1C)C 1P00FEVE [0,1,0,0,0,1|1,0,1]=4 2243 B10R1.25 OCc1ccc(cc1C)C 1P001U4P [0,1,0,0,0,1|2,0,0]=4 2244 B10R1.25 OCc1cnc(nc1C)C 1P00ICG7 [0,1,0,0,0,1|1,0,0]=3 2245 B10R1.25 OCc1cnc(nc1N)C 1P005CG4 [0,1,0,0,0,1|2,0,0]=4 2246 B10R1.25 OCc1cnc(nc1N)C 1P01KL2M [0,1,0,0,0,1|2,0,0]=4 2247 B10R1.25 OCc1ncc(cc1Br)C 1P00JT0D [0,1,0,0,0,1|2,0,0]=4 2248 B10R1.25 OCc1ncc(cc1C)Br 1P002P3C [0,1,0,0,0,1|2,0,0]=4 2249 B10R1.25 OCc1ncc(cc1C)C 1P00290Y [0,1,0,0,0,1|1,0,0]=3 2250 B10R1.25 OCc1ncc(cc1C)F 1P00A0FY [0,1,0,0,0,1|2,0,0]=4 2251 B10R1.25 SCc1ccc(cc1C)C 1P028NPE [0,1,0,0,0,1|2,0,0]=4 2252 B10R1.30 BrCc1cc(C)ccc1C 1P006W62 [0,1,0,0,0,1|2,0,0]=4 2253 B10R1.30 BrCc1cc(C)cnc1Br 1P028529 [0,1,0,0,0,1|2,0,0]=4 2254 B10R1.30 BrCc1cc(C)ncc1Br 1P028X2S [0,1,0,0,0,1|2,0,0]=4 2255 B10R1.30 BrCc1nc(C)ccc1Br 1P027YVB [0,1,0,0,0,1|2,0,0]=4 2256 B10R1.30 CCc1cc(N)cnc1C 1P028SZB [0,1,0,0,0,1|2,0,0]=4 2257 B10R1.30 CCc1nc(C)ccc1N 1P020M3R [0,1,0,0,0,1|2,0,0]=4 2258 B10R1.30 CCc1nc(C)ccc1O 1P000XJS [0,1,0,0,0,1|2,0,0]=4 2259 B10R1.30 CCc1nc(C)ccc1O 1P0011CF [0,1,0,0,0,1|2,0,0]=4 2260 B10R1.30 CCc1nc(C)ccc1O 1P002OGM [0,1,0,0,0,1|2,0,0]=4 2261 B10R1.30 CCc1nc(C)cnc1C 1P003A0D [0,1,0,0,0,1|1,0,0]=3 2262 B10R1.30 CCc1nc(C)cnc1C 1P019DEZ [0,1,0,0,0,1|1,0,0]=3 2263 B10R1.30 CCc1nc(Cl)ccc1C 1P00J32K [0,1,0,0,0,1|2,0,0]=4 2264 B10R1.30 CCc1nc(Cl)ncc1C 1P00J2QD [0,1,0,0,0,1|2,0,0]=4 2265 B10R1.30 CCc1nc(N)ncc1C 1P00C8ZH [0,1,0,0,0,1|2,0,0]=4 2266 B10R1.30 CCc1nc(O)ncc1C 1P009EDY [0,1,0,0,0,1|2,0,0]=4 2267 B10R1.30 CNc1cc(C)ccc1C 1P019WOA [0,1,0,0,0,1|2,0,0]=4 2268 B10R1.30 CNc1cc(C)ccc1C 1P01A7UM [0,1,0,0,0,1|2,0,0]=4 2269 B10R1.30 CNc1nc(C)cnc1C 1P027YCH [0,1,0,0,0,1|1,0,0]=3 2270 B10R1.30 COc1cc(Br)cnc1C 1P000G9Z [0,1,0,0,0,1|2,0,0]=4 2271 B10R1.30 COc1cc(Br)ncc1C 1P000JRP [0,1,0,0,0,1|2,0,0]=4 2272 B10R1.30 COc1cc(C)ccc1C 1P003BM5 [0,1,0,0,0,1|2,0,0]=4 2273 B10R1.30 COc1cc(C)cnc1Cl 1P0094NJ [0,1,0,0,0,1|2,0,0]=4 2274 B10R1.30 COc1cc(C)ncc1Br 1P00GSM7 [0,1,0,0,0,1|2,0,0]=4 2275 B10R1.30 COc1cc(Cl)ncc1C 1P00O2HN [0,1,0,0,0,1|2,0,0]=4 2276 B10R1.30 COc1cc(O)cnc1C 1P028B40 [0,1,0,0,0,1|2,0,0]=4 2277 B10R1.30 COc1nc(C)ccc1Br 1P003JHC [0,1,0,0,0,1|2,0,0]=4 2278 B10R1.30 COc1nc(C)ccc1F 1P0079YX [0,1,0,0,0,1|2,0,0]=4 2279 B10R1.30 COc1nc(C)ccc1N 1P00I29Q [0,1,0,0,0,1|2,0,0]=4 2280 B10R1.30 COc1nc(C)ccc1O 1P00CHN8 [0,1,0,0,0,1|2,0,0]=4 2281 B10R1.30 COc1nc(C)cnc1C 1P002C04 [0,1,0,0,0,1|1,0,0]=3 2282 B10R1.30 COc1nc(C)cnc1Cl 1P01JZWT [0,1,0,0,0,1|2,0,0]=4 2283 B10R1.30 COc1nc(C)cnc1N 1P0088KP [0,1,0,0,0,1|2,0,0]=4 2284 B10R1.30 COc1nc(C)ncc1Br 1P028D5E [0,1,0,0,0,1|2,0,0]=4 2285 B10R1.30 COc1nc(C)ncc1N 1P00DIIU [0,1,0,0,0,1|2,0,0]=4 2286 B10R1.30 COc1nc(Cl)ncc1C 1P00A94Q [0,1,0,0,0,1|2,0,0]=4 2287 B10R1.30 CSc1cc(C)cnc1Br 1P00I153 [0,1,0,0,0,1|2,0,0]=4 2288 B10R1.30 CSc1nc(Cl)ncc1C 1P00IX8W [0,1,0,0,0,1|2,0,0]=4 2289 B10R1.30 ClCc1cc(C)ccc1C 1P003GGG [0,1,0,0,0,1|2,0,0]=4 2290 B10R1.30 ClCc1cc(C)cnc1F 1P028NRC [0,1,0,0,0,1|2,0,0]=4 2291 B10R1.30 ClCc1nc(C)ccc1Br 1P01JV22 [0,1,0,0,0,1|2,0,0]=4 2292 B10R1.30 ClCc1nc(C)ccc1C 1P028W29 [0,1,0,0,0,1|1,0,0]=3 2293 B10R1.30 ClCc1nc(C)ccc1Cl 1P00OFF5 [0,1,0,0,0,1|2,0,0]=4 2294 B10R1.30 ClCc1nc(C)ccc1O 1P005VXR [0,1,0,0,0,1|2,0,0]=4 2295 B10R1.30 NCc1cc(Br)cnc1C 1P00HGG8 [0,1,0,0,0,1|2,0,0]=4 2296 B10R1.30 NCc1cc(C)ccc1C 1P00IHWL [0,1,0,0,0,1|2,0,0]=4 2297 B10R1.30 NCc1cc(C)cnc1Br 1P028B5J [0,1,0,0,0,1|2,0,0]=4 2298 B10R1.30 NCc1cc(C)cnc1Cl 1P00A0HU [0,1,0,0,0,1|2,0,0]=4 2299 B10R1.30 NCc1cc(C)cnc1F 1P004L36 [0,1,0,0,0,1|2,0,0]=4 2300 B10R1.30 NCc1cc(F)cnc1C 1P028BFU [0,1,0,0,0,1|2,0,0]=4 2301 B10R1.30 NCc1nc(Br)ccc1C 1P0208A7 [0,1,0,0,0,1|2,0,0]=4 2302 B10R1.30 NCc1nc(C)ccc1Br 1P028OBE [0,1,0,0,0,1|2,0,0]=4 2303 B10R1.30 NCc1nc(C)ccc1C 1P01BKZU [0,1,0,0,0,1|1,0,0]=3 2304 B10R1.30 NCc1nc(C)ccc1Cl 1P028KDA [0,1,0,0,0,1|2,0,0]=4 2305 B10R1.30 NCc1nc(C)ccc1F 1P009DVJ [0,1,0,0,0,1|2,0,0]=4 2306 B10R1.30 NCc1nc(C)ccc1O 1P028NTG [0,1,0,0,0,1|2,0,0]=4 2307 B10R1.30 NCc1nc(C)ccc1O 1P028O4U [0,1,0,0,0,1|2,0,0]=4 2308 B10R1.30 NNc1nc(C)ncc1C 1P01FJMG [0,1,0,0,0,1|2,0,0]=4 2309 B10R1.30 O=Cc1cc(C)nnc1C 1P01C8KP [0,1,0,0,0,1|1,0,1]=4 2310 B10R1.30 OCc1cc(Br)cnc1C 1P00ILCT [0,1,0,0,0,1|2,0,0]=4 2311 B10R1.30 OCc1cc(C)ccc1C 1P0033H8 [0,1,0,0,0,1|2,0,0]=4 2312 B10R1.30 OCc1cc(C)cnc1Cl 1P00DDE3 [0,1,0,0,0,1|2,0,0]=4 2313 B10R1.30 OCc1cc(C)ncc1Br 1P01FT27 [0,1,0,0,0,1|2,0,0]=4 2314 B10R1.30 OCc1cc(C)ncc1F 1P01JWI2 [0,1,0,0,0,1|2,0,0]=4 2315 B10R1.30 OCc1cc(C)nnc1C 1P01BVGE [0,1,0,0,0,1|1,0,0]=3 2316 B10R1.30 OCc1cc(F)cnc1C 1P01BVKV [0,1,0,0,0,1|2,0,0]=4 2317 B10R1.30 OCc1cc(F)ncc1C 1P020MA7 [0,1,0,0,0,1|2,0,0]=4 2318 B10R1.30 OCc1nc(C)ccc1Br 1P00JYKK [0,1,0,0,0,1|2,0,0]=4 2319 B10R1.30 OCc1nc(C)ccc1C 1P004WQH [0,1,0,0,0,1|1,0,0]=3 2320 B10R1.30 OCc1nc(C)ccc1N 1P00I6LL [0,1,0,0,0,1|2,0,0]=4 2321 B10R1.30 OCc1nc(C)ccc1O 1P003FJ8 [0,1,0,0,0,1|2,0,0]=4 2322 B10R1.30 SCc1cc(C)ccc1C 1P01ABP9 [0,1,0,0,0,1|2,0,0]=4 2323 B10R1.118 Brc1cc(Br)c(nc1C)C 1P00C7IE [0,1,0,0,0,1|2,0,0]=4 2324 B10R1.118 Brc1nc(C)c(cc1C)Br 1P00C7ID [0,1,0,0,0,1|2,0,0]=4 2325 B10R1.118 Cc1[nH]c(=O)c(nc1Br)C 1P028VTN [0,1,0,0,0,1|2,0,0]=4 2326 B10R1.118 Cc1[nH]c(=O)c(nc1C)C 1P00F1KZ [0,1,0,0,0,1|1,0,0]=3 2327 B10R1.118 Cc1[nH]c(=O)c(nc1C)Cl 1P00AI6S [0,1,0,0,0,1|2,0,0]=4 2328 B10R1.118 Cc1[nH]c(=O)c(nc1C)I 1P01P3BP [0,1,0,0,0,1|2,0,0]=4 2329 B10R1.118 Cc1cc(Br)c(cc1C)C 1P003EJI [0,1,0,0,0,1|2,0,0]=4 2330 B10R1.118 Cc1cc(C)c(cc1C)C 1P003DRM [0,1,0,0,0,1|2,0,0]=4 2331 B10R1.118 Cc1cc(C)c(nc1Br)Br 1P003406 [0,1,0,0,0,1|2,0,0]=4 2332 B10R1.118 Cc1cc(N)c(cc1C)C 1P001355 [0,1,0,0,0,1|2,0,0]=4 2333 B10R1.118 Cc1cc(N)c(cc1C)C 1P00BHJ5 [0,1,0,0,0,1|2,0,0]=4 2334 B10R1.118 Cc1cc(N)c(nc1C)C 1P00J3F0 [0,1,0,0,0,1|1,0,0]=3 2335 B10R1.118 Cc1cc(O)c(cc1C)C 1P003G2W [0,1,0,0,0,1|2,0,0]=4 2336 B10R1.118 Cc1nc(Br)c(cc1C)Br 1P007R6H [0,1,0,0,0,1|2,0,0]=4 2337 B10R1.118 Cc1nc(Br)c(cc1C)N 1P027PBH [0,1,0,0,0,1|2,0,0]=4 2338 B10R1.118 Cc1nc(Br)c(nc1C)Br 1P01AGCU [0,1,0,0,0,1|2,0,0]=4 2339 B10R1.118 Cc1nc(C)c(nc1C)C 1P003V72 [0,1,0,0,0,1|1,0,0]=3 2340 B10R1.118 Cc1nc(C)c(nc1C)C 1P005LFJ [0,1,0,0,0,1|1,0,0]=3 2341 B10R1.118 Cc1nc(Cl)c(nc1C)C 1P00G0JN [0,1,0,0,0,1|1,0,0]=3 2342 B10R1.118 Cc1nc(Cl)c(nc1C)Cl 1P00CJAJ [0,1,0,0,0,1|2,0,0]=4 2343 B10R1.118 Cc1nc(Cl)c(nc1C)N 1P0076G8 [0,1,0,0,0,1|2,0,0]=4 2344 B10R1.118 Cc1nc(Cl)c(nc1Cl)C 1P00BF5N [0,1,0,0,0,1|2,0,0]=4 2345 B10R1.118 Cc1nc(F)c(cc1C)Br 1P024VFL [0,1,0,0,0,1|2,0,0]=4 2346 B10R1.118 Cc1nc(N)c(cc1C)Br 1P001SM6 [0,1,0,0,0,1|2,0,0]=4 2347 B10R1.118 Cc1nc(N)c(nc1C)C 1P028WLU [0,1,0,0,0,1|1,0,0]=3 2348 B10R1.118 Cc1nc(O)c(nc1C)N 1P007066 [0,1,0,0,0,1|2,0,0]=4 2349 B10R1.118 Cc1oc(=O)c(nc1Cl)Cl 1P000PB7 [0,1,0,0,0,1|2,0,0]=4 2350 B10R1.118 Clc1nc(C)c(cc1C)Br 1P01KKR0 [0,1,0,0,0,1|2,0,0]=4 2351 B10R1.118 Clc1nc(C)c(cc1C)N 1P00A0LT [0,1,0,0,0,1|2,0,0]=4 2352 B10R1.118 Nc1cc(Cl)c(nc1C)C 1P01KKGA [0,1,0,0,0,1|2,0,0]=4 2353 B10R1.118 Nc1cc(Cl)c(nc1C)C 1P028BQ5 [0,1,0,0,0,1|2,0,0]=4 2354 B10R1.118 Nc1nc(C)c(cc1C)Br 1P00BJ8U [0,1,0,0,0,1|2,0,0]=4 2355 B10R1.119 Brc1c(C)nnc(c1Br)C 1P0293MC [0,1,0,0,0,1|2,0,0]=4 2356 B10R1.119 Brc1cnc(c(c1C)Br)C 1P00BGLG [0,1,0,0,0,1|2,0,0]=4 2357 B10R1.119 Cc1ccc(c(c1N)C)C 1P00233A [0,1,0,0,0,1|2,0,0]=4 2358 B10R1.119 Cc1ccc(c(c1O)C)C 1P0032PJ [0,1,0,0,0,1|2,0,0]=4 2359 B10R1.119 Cc1cnc(c(c1C)C)N 1P01FT1X [0,1,0,0,0,1|2,0,0]=4 2360 B10R1.119 Cc1cnc(c(c1C)O)C 1P0285S0 [0,1,0,0,0,1|1,0,0]=3 2361 B10R1.119 Cc1cnc(c(c1I)C)F 1P01ECEF [0,1,0,0,0,1|2,0,0]=4 2362 B10R1.119 Cc1n[nH]c(=O)c(c1C)C 1P028769 [0,1,0,0,0,1|2,0,0]=4 2363 B10R1.119 Cc1ncc(c(c1C)N)C 1P0280V3 [0,1,0,0,0,1|1,0,0]=3 2364 B10R1.119 Cc1nnc(c(c1C)C)Cl 1P01A56U [0,1,0,0,0,1|2,0,0]=4 2365 B10R1.119 Nc1cnc(c(c1C)Br)C 1P00H4RD [0,1,0,0,0,1|2,0,0]=4 2366 B10R1.119 Nc1cnc(c(c1C)C)C 1P01FMTA [0,1,0,0,0,1|2,0,0]=4 2367 B10R1.119 Nc1cnc(c(c1C)Cl)C 1P018BOX [0,1,0,0,0,1|2,0,0]=4 2368 B10R1.119 Nc1cnc(c(c1Cl)C)C 1P028MU2 [0,1,0,0,0,1|2,0,0]=4 2369 B10R1.176 BrCc1ccc(c(c1)C)C 1P0036AO [0,1,0,0,0,1|2,0,0]=4 2370 B10R1.176 BrCc1ccc(c(n1)C)Br 1P000KHK [0,1,0,0,0,1|2,0,0]=4 2371 B10R1.176 BrCc1cnc(c(c1)C)Br 1P028OFI [0,1,0,0,0,1|2,0,0]=4 2372 B10R1.176 BrCc1nnc(c(c1)C)C 1P028DO5 [0,1,0,0,0,1|1,0,0]=3 2373 B10R1.176 C#Cc1cnc(c(c1)C)C 1P023S7Z [0,1,0,0,0,1|1,0,1]=4 2374 B10R1.176 CCc1ccc(c(c1)C)C 1P006FV1 [0,1,0,0,0,1|2,0,0]=4 2375 B10R1.176 CCc1ccc(c(n1)C)N 1P028QOB [0,1,0,0,0,1|2,0,0]=4 2376 B10R1.176 CCc1cnc(c(c1)N)C 1P028SKT [0,1,0,0,0,1|2,0,0]=4 2377 B10R1.176 CCc1cnc(c(n1)C)C 1P001PNM [0,1,0,0,0,1|1,0,0]=3 2378 B10R1.176 CCc1ncc(c(n1)C)Br 1P028OVF [0,1,0,0,0,1|2,0,0]=4 2379 B10R1.176 CNc1ccc(c(c1)C)C 1P00C9RG [0,1,0,0,0,1|2,0,0]=4 2380 B10R1.176 CNc1ccc(c(c1)C)C 1P019WK8 [0,1,0,0,0,1|2,0,0]=4 2381 B10R1.176 CNc1ncc(c(c1)C)Br 1P001ON8 [0,1,0,0,0,1|2,0,0]=4 2382 B10R1.176 CNc1nnc(c(n1)C)C 1P0290YB [0,1,0,0,0,1|1,0,0]=3 2383 B10R1.176 COc1ccc(c(c1)C)C 1P0033ZF [0,1,0,0,0,1|2,0,0]=4 2384 B10R1.176 COc1ccc(c(n1)Br)C 1P000OU8 [0,1,0,0,0,1|2,0,0]=4 2385 B10R1.176 COc1ccc(c(n1)C)Br 1P000TLP [0,1,0,0,0,1|2,0,0]=4 2386 B10R1.176 COc1ccc(c(n1)C)I 1P01L020 [0,1,0,0,0,1|2,0,0]=4 2387 B10R1.176 COc1ccc(c(n1)C)N 1P00D9K4 [0,1,0,0,0,1|2,0,0]=4 2388 B10R1.176 COc1ccc(c(n1)C)N 1P00I6JG [0,1,0,0,0,1|2,0,0]=4 2389 B10R1.176 COc1ccc(c(n1)Cl)C 1P020L6U [0,1,0,0,0,1|2,0,0]=4 2390 B10R1.176 COc1ccc(c(n1)N)C 1P028Q6P [0,1,0,0,0,1|2,0,0]=4 2391 B10R1.176 COc1cnc(c(c1)Br)C 1P000OWM [0,1,0,0,0,1|2,0,0]=4 2392 B10R1.176 COc1cnc(c(c1)C)Br 1P01DO36 [0,1,0,0,0,1|2,0,0]=4 2393 B10R1.176 COc1cnc(c(c1)C)Cl 1P00FHC2 [0,1,0,0,0,1|2,0,0]=4 2394 B10R1.176 COc1cnc(c(c1)N)C 1P01K5GS [0,1,0,0,0,1|2,0,0]=4 2395 B10R1.176 COc1cnc(c(n1)C)Br 1P01FPC8 [0,1,0,0,0,1|2,0,0]=4 2396 B10R1.176 COc1cnc(c(n1)C)Cl 1P01K20H [0,1,0,0,0,1|2,0,0]=4 2397 B10R1.176 COc1cnc(c(n1)C)N 1P01EDSR [0,1,0,0,0,1|2,0,0]=4 2398 B10R1.176 COc1ncc(c(c1)Br)C 1P009DC0 [0,1,0,0,0,1|2,0,0]=4 2399 B10R1.176 COc1ncc(c(c1)C)Br 1P0038FQ [0,1,0,0,0,1|2,0,0]=4 2400 B10R1.176 COc1ncc(c(c1)C)N 1P00FBC3 [0,1,0,0,0,1|2,0,0]=4 2401 B10R1.176 COc1ncc(c(c1)I)C 1P000JVL [0,1,0,0,0,1|2,0,0]=4 2402 B10R1.176 COc1ncc(c(c1)N)C 1P000RGB [0,1,0,0,0,1|2,0,0]=4 2403 B10R1.176 COc1ncc(c(n1)C)Br 1P00CM33 [0,1,0,0,0,1|2,0,0]=4 2404 B10R1.176 COc1ncc(c(n1)C)N 1P00H3ND [0,1,0,0,0,1|2,0,0]=4 2405 B10R1.176 COc1ncc(c(n1)Cl)C 1P000Z17 [0,1,0,0,0,1|2,0,0]=4 2406 B10R1.176 COc1nnc(c(c1)C)C 1P01DX9O [0,1,0,0,0,1|1,0,0]=3 2407 B10R1.176 COc1nnc(c(c1)C)Cl 1P00IG77 [0,1,0,0,0,1|2,0,0]=4 2408 B10R1.176 CSc1[nH]nc(c(=O)n1)C 1P001PAT [0,1,0,0,0,1|2,0,0]=4 2409 B10R1.176 CSc1cnc(c(c1)C)Cl 1P00I1EE [0,1,0,0,0,1|2,0,0]=4 2410 B10R1.176 CSc1cnc(c(c1)C)N 1P01C0YA [0,1,0,0,0,1|2,0,0]=4 2411 B10R1.176 CSc1ncc(c(=O)[nH]1)C 1P00BGK7 [0,1,0,0,0,1|2,0,0]=4 2412 B10R1.176 CSc1ncc(c(c1)C)Br 1P00BIKI [0,1,0,0,0,1|2,0,0]=4 2413 B10R1.176 CSc1ncc(c(c1)C)N 1P00CGVF [0,1,0,0,0,1|2,0,0]=4 2414 B10R1.176 CSc1ncc(c(n1)Br)C 1P01FM4T [0,1,0,0,0,1|2,0,0]=4 2415 B10R1.176 CSc1ncc(c(n1)C)Br 1P01DMAW [0,1,0,0,0,1|2,0,0]=4 2416 B10R1.176 CSc1ncc(c(n1)Cl)C 1P00EIT3 [0,1,0,0,0,1|2,0,0]=4 2417 B10R1.176 ClCc1ccc(c(c1)C)C 1P0006PD [0,1,0,0,0,1|2,0,0]=4 2418 B10R1.176 ClCc1ccc(c(n1)C)C 1P027E07 [0,1,0,0,0,1|1,0,0]=3 2419 B10R1.176 ClCc1ccc(c(n1)Cl)C 1P01BYDB [0,1,0,0,0,1|2,0,0]=4 2420 B10R1.176 ClCc1cnc(c(c1)C)Cl 1P00AR9U [0,1,0,0,0,1|2,0,0]=4 2421 B10R1.176 ClCc1cnc(c(c1)C)Cl 1P01FIOG [0,1,0,0,0,1|2,0,0]=4 2422 B10R1.176 ClCc1nnc(c(c1)C)C 1P028WRT [0,1,0,0,0,1|1,0,0]=3 2423 B10R1.176 N#Cc1ccc(c(n1)C)C 1P00EGLX [0,1,0,0,0,1|1,0,1]=4 2424 B10R1.176 N#Cc1cnc(c(c1)C)C 1P003ANJ [0,1,0,0,0,1|1,0,1]=4 2425 B10R1.176 N#Cc1nnc(c(c1)C)C 1P028YBY [0,1,0,0,0,1|1,0,1]=4 2426 B10R1.176 NCc1ccc(c(c1)C)C 1P0006PB [0,1,0,0,0,1|2,0,0]=4 2427 B10R1.176 NCc1ccc(c(c1)C)C 1P019F5W [0,1,0,0,0,1|2,0,0]=4 2428 B10R1.176 NCc1ccc(c(n1)Br)C 1P027XLO [0,1,0,0,0,1|2,0,0]=4 2429 B10R1.176 NCc1ccc(c(n1)C)Br 1P028Y5V [0,1,0,0,0,1|2,0,0]=4 2430 B10R1.176 NCc1ccc(c(n1)C)C 1P00DGO5 [0,1,0,0,0,1|1,0,0]=3 2431 B10R1.176 NCc1ccc(c(n1)C)C 1P01XCEG [0,1,0,0,0,1|1,0,0]=3 2432 B10R1.176 NCc1ccc(c(n1)C)C 1P01XDOI [0,1,0,0,0,1|1,0,0]=3 2433 B10R1.176 NCc1ccc(c(n1)F)C 1P028CZ4 [0,1,0,0,0,1|2,0,0]=4 2434 B10R1.176 NCc1cnc(c(c1)C)Br 1P009XZY [0,1,0,0,0,1|2,0,0]=4 2435 B10R1.176 NCc1cnc(c(c1)C)C 1P00J2NY [0,1,0,0,0,1|1,0,0]=3 2436 B10R1.176 NCc1cnc(c(c1)C)Cl 1P000P3R [0,1,0,0,0,1|2,0,0]=4 2437 B10R1.176 NCc1cnc(c(c1)C)F 1P028KPC [0,1,0,0,0,1|2,0,0]=4 2438 B10R1.176 NCc1ncc(c(c1)Br)C 1P027U9U [0,1,0,0,0,1|2,0,0]=4 2439 B10R1.176 NCc1ncc(c(c1)C)Br 1P000P2L [0,1,0,0,0,1|2,0,0]=4 2440 B10R1.176 NCc1ncc(c(c1)C)Br 1P00IFQL [0,1,0,0,0,1|2,0,0]=4 2441 B10R1.176 NCc1nnc(c(c1)C)C 1P028M5Y [0,1,0,0,0,1|1,0,0]=3 2442 B10R1.176 NNc1ncc(c(c1)C)C 1P028W0F [0,1,0,0,0,1|2,0,0]=4 2443 B10R1.176 NNc1nnc(c(c1)C)C 1P01B8C3 [0,1,0,0,0,1|2,0,0]=4 2444 B10R1.176 O=CC1=NC(C)=C(C)C=C1 1P01FWQF [0,1,0,0,0,1|1,0,1]=4 2445 B10R1.176 O=Cc1cnc(c(c1)C)C 1P000EOT [0,1,0,0,0,1|1,0,1]=4 2446 B10R1.176 O=Cc1nnc(c(c1)C)C 1P028RAR [0,1,0,0,0,1|1,0,1]=4 2447 B10R1.176 OCc1ccc(c(c1)C)C 1P003IZB [0,1,0,0,0,1|2,0,0]=4 2448 B10R1.176 OCc1ccc(c(n1)C)Br 1P0014AM [0,1,0,0,0,1|2,0,0]=4 2449 B10R1.176 OCc1ccc(c(n1)C)F 1P000YH7 [0,1,0,0,0,1|2,0,0]=4 2450 B10R1.176 OCc1ccc(c(n1)C)O 1P00DLQN [0,1,0,0,0,1|2,0,0]=4 2451 B10R1.176 OCc1ccc(c(n1)F)C 1P01DZGD [0,1,0,0,0,1|2,0,0]=4 2452 B10R1.176 OCc1cnc(c(c1)C)C 1P008HBQ [0,1,0,0,0,1|1,0,0]=3 2453 B10R1.176 OCc1cnc(c(c1)F)C 1P00IHC4 [0,1,0,0,0,1|2,0,0]=4 2454 B10R1.176 OCc1ncc(c(c1)Br)C 1P00G8MI [0,1,0,0,0,1|2,0,0]=4 2455 B10R1.176 OCc1ncc(c(c1)Br)C 1P00IM7Y [0,1,0,0,0,1|2,0,0]=4 2456 B10R1.176 OCc1ncc(c(c1)C)Cl 1P0290EL [0,1,0,0,0,1|2,0,0]=4 2457 B10R1.176 OCc1ncc(c(c1)Cl)C 1P004C0X [0,1,0,0,0,1|2,0,0]=4 2458 B10R1.176 OCc1ncc(c(c1)N)C 1P01FM2N [0,1,0,0,0,1|2,0,0]=4 2459 B10R1.176 OCc1ncc(c(n1)C)N 1P028KWD [0,1,0,0,0,1|2,0,0]=4 2460 B10R1.176 OCc1nnc(c(c1)C)C 1P0289JI [0,1,0,0,0,1|1,0,0]=3 2461 B10R1.176 SCc1ccc(c(c1)C)C 1P01A04U [0,1,0,0,0,1|2,0,0]=4 2462 B10R1.32 CCc1nc(sc1CO)C 1P008VKY [0,2,0,0,0,0|0,1,0]=3 2463 B10R1.32 CCc1nn(cc1CN)C 1P01A4TS [0,2,0,0,0,0|2,0,0]=4 2464 B10R1.32 CCc1nn(cc1CN)C 1P028VOU [0,2,0,0,0,0|2,0,0]=4 2465 B10R1.32 CNc1oc(nc1C#N)C 1P01DWUF [0,2,0,0,0,0|0,0,1]=3 2466 B10R1.32 COc1nn(cc1CN)C 1P01CAMZ [0,2,0,0,0,0|2,0,0]=4 2467 B10R1.32 COc1nn(cc1CN)C 1P028C7P [0,2,0,0,0,0|2,0,0]=4 2468 B10R1.32 NCc1nn(cc1CO)C 1P01B2Z5 [0,2,0,0,0,0|2,0,0]=4 2469 B10R1.32 NNc1oc(nc1C#N)C 1P019WV4 [0,2,0,0,0,0|1,0,1]=4 2470 B10R1.32 OCc1nc(cn1CC)C 1P01DZM2 [0,2,0,0,0,0|2,0,0]=4 2471 B10R1.32 OCc1oc(=O)oc1CBr 1P01DWOB [0,2,0,0,0,0|2,0,0]=4 2472 B10R1.34 CCc1nn(c(c1C)N)C 1P002L36 [0,2,0,0,0,0|2,0,0]=4 2473 B10R1.34 CCn1nc(c(c1C)Br)C 1P00DDBX [0,2,0,0,0,0|2,0,0]=4 2474 B10R1.34 CCn1nc(c(c1C)N)C 1P00EBCG [0,2,0,0,0,0|2,0,0]=4 2475 B10R1.34 CCn1nc(c(c1C)N)C 1P00J2D5 [0,2,0,0,0,0|2,0,0]=4 2476 B10R1.34 CCn1nc(c(c1C)O)C 1P0291MN [0,2,0,0,0,0|2,0,0]=4 2477 B10R1.34 CCn1nc(c(c1N)C)C 1P0284RI [0,2,0,0,0,0|2,0,0]=4 2478 B10R1.34 COc1nn(c(c1N)C)C 1P008W29 [0,2,0,0,0,0|2,0,0]=4 2479 B10R1.34 ClCc1nn(c(c1Br)C)C 1P01BS9B [0,2,0,0,0,0|2,0,0]=4 2480 B10R1.34 NCc1cc(n(c1C)C)C 1P01AMO3 [0,2,0,0,0,0|1,0,1]=4 2481 B10R1.34 NCc1cc(n(c1C)C)C 1P01ANJ7 [0,2,0,0,0,0|1,0,1]=4 2482 B10R1.34 NCc1nc(c(n1C)C)C 1P00J22I [0,2,0,0,0,0|1,0,0]=3 2483 B10R1.34 NCc1nn(c(c1Br)C)C 1P01BY42 [0,2,0,0,0,0|2,0,0]=4 2484 B10R1.34 NCc1nn(c(c1Br)C)C 1P028S0M [0,2,0,0,0,0|2,0,0]=4 2485 B10R1.34 NCc1nn(c(c1Br)C)C 1P028UNR [0,2,0,0,0,0|2,0,0]=4 2486 B10R1.34 O=Cc1nc(c(n1C)C)C 1P00ADJ4 [0,2,0,0,0,0|1,0,1]=4 2487 B10R1.34 OCc1nc(c(n1C)C)C 1P00BBES [0,2,0,0,0,0|1,0,0]=3 2488 B10R1.34 OCc1nn(c(c1Br)C)C 1P01BY41 [0,2,0,0,0,0|2,0,0]=4 2489 B10R1.34 OCc1nn(c(c1C)Br)C 1P01CANR [0,2,0,0,0,0|2,0,0]=4 2490 B10R1.34 OCn1nc(c(c1C)Br)C 1P005SR8 [0,2,0,0,0,0|2,0,0]=4 2491 B10R1.34 OCn1nc(c(c1C)Cl)C 1P01AOHB [0,2,0,0,0,0|2,0,0]=4 2492 B10R1.35 BrCc1nn(nc1C)CC 1P01AN69 [0,2,0,0,0,0|2,0,0]=4 2493 B10R1.35 CCc1[nH]c(nc1C)C=O 1P01PURO [0,2,0,0,0,0|1,0,1]=4 2494 B10R1.35 CCc1nc(c([nH]1)C=O)C 1P004ANQ [0,2,0,0,0,0|1,0,1]=4 2495 B10R1.35 CCc1nc(c(o1)CN)C 1P01AM44 [0,2,0,0,0,0|0,0,0]=2 2496 B10R1.35 CCc1nc(c(o1)CO)C 1P01BCQ3 [0,2,0,0,0,0|0,0,0]=2 2497 B10R1.35 CCc1nc(c(s1)Br)CO 1P0286U9 [0,2,0,0,0,0|1,1,0]=4 2498 B10R1.35 CCc1nc(c(s1)CN)C 1P00J2A0 [0,2,0,0,0,0|0,1,0]=3 2499 B10R1.35 CCc1nn(c(c1)CC)C 1P01A3X2 [0,2,0,0,0,0|2,0,0]=4 2500 B10R1.35 COc1cc(nn1C)CO 1P01BPFM [0,2,0,0,0,0|2,0,0]=4 2501 B10R1.35 COc1nc(sc1C)C#C 1P028XOW [0,2,0,0,0,0|0,1,1]=4 2502 B10R1.35 COc1nc(sc1C)C#N 1P01EK91 [0,2,0,0,0,0|0,1,1]=4 2503 B10R1.35 COc1nc(sc1C)C=O 1P028LMU [0,2,0,0,0,0|0,1,1]=4 2504 B10R1.35 COc1nc(sc1C)CCl 1P028UDB [0,2,0,0,0,0|0,1,0]=3 2505 B10R1.35 COc1nn(c(c1)CCl)C 1P021L45 [0,2,0,0,0,0|2,0,0]=4 2506 B10R1.35 COc1nn(c(c1)CN)C 1P0280I2 [0,2,0,0,0,0|2,0,0]=4 2507 B10R1.35 COc1nn(c(c1)CO)C 1P01DL3U [0,2,0,0,0,0|2,0,0]=4 2508 B10R1.35 CSc1nc(c(s1)SC)Br 1P028I4U [0,2,0,0,0,0|1,1,0]=4 2509 B10R1.35 NCc1cn(nc1C)CC 1P00G4ZY [0,2,0,0,0,0|2,0,0]=4 2510 B10R1.35 NCc1nn(nc1C)CC 1P01C4KL [0,2,0,0,0,0|2,0,0]=4 2511 B10R1.35 OCc1cn(nc1C)CC 1P00D92N [0,2,0,0,0,0|2,0,0]=4 2512 B10R1.35 OCc1nn(nc1C)CC 1P01AN68 [0,2,0,0,0,0|2,0,0]=4 2513 B10R1.59 Brc1nc(c(o1)C(=O)O)C 1P000AWF [0,2,0,0,0,0|1,0,1]=4 2514 B10R1.59 Brc1nc(c(s1)C(=O)C)C 1P0091W5 [0,2,0,0,0,0|1,1,0]=4 2515 B10R1.59 Brc1oc(c(n1)C(=O)O)C 1P01XCFX [0,2,0,0,0,0|1,0,1]=4 2516 B10R1.59 Brc1sc(c(n1)C(=O)C)C 1P01C1OE [0,2,0,0,0,0|1,1,0]=4 2517 B10R1.59 CC(c1[nH]c(nc1C)C)N 1P028YLI [0,2,0,0,0,0|1,0,0]=3 2518 B10R1.59 CC(c1[nH]c(nc1C)C)O 1P0291UH [0,2,0,0,0,0|1,0,0]=3 2519 B10R1.59 Cc1cc(c(o1)C(=O)C)C 1P002M2X [0,2,0,0,0,0|1,0,0]=3 2520 B10R1.59 Cc1cc(c(o1)C(=O)O)C 1P00C0J3 [0,2,0,0,0,0|1,0,1]=4 2521 B10R1.59 Cc1cc(c(o1)C)C(N)C 1P00CVZ9 [0,2,0,0,0,0|1,0,0]=3 2522 B10R1.59 Cc1cc(c(s1)C)C(N)C 1P0081KQ [0,2,0,0,0,0|1,1,0]=4 2523 B10R1.59 Cc1cc(c(s1)C)C(N)C 1P01A4LU [0,2,0,0,0,0|1,1,0]=4 2524 B10R1.59 Cc1nc(c(o1)C(=O)C)C 1P002MBG [0,2,0,0,0,0|0,0,0]=2 2525 B10R1.59 Cc1nc(c(o1)C(=O)Cl)C 1P005V9T [0,2,0,0,0,0|0,0,1]=3 2526 B10R1.59 Cc1nc(c(o1)C(=O)N)C 1P00A8G6 [0,2,0,0,0,0|0,0,1]=3 2527 B10R1.59 Cc1nc(c(o1)C(=O)O)C 1P002QXO [0,2,0,0,0,0|0,0,1]=3 2528 B10R1.59 Cc1nc(c(o1)C)C(N)C 1P028EX8 [0,2,0,0,0,0|0,0,0]=2 2529 B10R1.59 Cc1nc(c(o1)S(=O)[O-])C 1P027UX7 [0,2,0,0,0,0|1,0,0]=3 2530 B10R1.59 Cc1nc(c(s1)C(=O)C)C 1P0038FG [0,2,0,0,0,0|0,1,0]=3 2531 B10R1.59 Cc1nc(c(s1)C(=O)C)C 1P00487J [0,2,0,0,0,0|0,1,0]=3 2532 B10R1.59 Cc1nc(c(s1)C(=O)O)C 1P0033GI [0,2,0,0,0,0|0,1,1]=4 2533 B10R1.59 Cc1nc(c(s1)C(N)C)C 1P00998X [0,2,0,0,0,0|0,1,0]=3 2534 B10R1.59 Cc1nc(c(s1)C(O)C)C 1P019YAA [0,2,0,0,0,0|0,1,0]=3 2535 B10R1.59 Cc1nc(c(s1)C)C(N)C 1P00J3TR [0,2,0,0,0,0|0,1,0]=3 2536 B10R1.59 Cc1nn(c(c1)C(=O)C)C 1P0036TP [0,2,0,0,0,0|2,0,0]=4 2537 B10R1.59 Cc1nn(c(c1)C)C(C)C 1P01BD29 [0,2,0,0,0,0|2,0,0]=4 2538 B10R1.59 Cc1oc(c(c1)C(=N)N)C 1P01ADDQ [0,2,0,0,0,0|1,0,1]=4 2539 B10R1.59 Cc1oc(c(c1)C(=O)C)C 1P003J9R [0,2,0,0,0,0|1,0,0]=3 2540 B10R1.59 Cc1oc(c(c1)C(=O)O)C 1P00EAJZ [0,2,0,0,0,0|1,0,1]=4 2541 B10R1.59 Cc1oc(c(n1)C(=O)C)C 1P002MA4 [0,2,0,0,0,0|0,0,0]=2 2542 B10R1.59 Cc1oc(c(n1)C(=O)O)Br 1P0074WY [0,2,0,0,0,0|1,0,1]=4 2543 B10R1.59 Cc1oc(c(n1)C(=O)O)C 1P002MA3 [0,2,0,0,0,0|0,0,1]=3 2544 B10R1.59 Cc1sc(c(c1)C(=O)C)C 1P003J9S [0,2,0,0,0,0|1,1,0]=4 2545 B10R1.59 Cc1sc(c(n1)C(=O)C)C 1P00DDGC [0,2,0,0,0,0|0,1,0]=3 2546 B10R1.59 Cc1sc(c(n1)C(=O)O)C 1P007T19 [0,2,0,0,0,0|0,1,1]=4 2547 B10R1.59 Cc1sc(c(n1)C(=O)O)C 1P01B23X [0,2,0,0,0,0|0,1,1]=4 2548 B10R1.59 Clc1nc(c(s1)C(=O)C)C 1P00BKG0 [0,2,0,0,0,0|1,1,0]=4 2549 B10R1.59 Clc1nc(c(s1)C)C(C)C 1P01DZ4V [0,2,0,0,0,0|1,1,0]=4 2550 B10R1.59 Cn1cc(c(n1)C)C(N)C 1P006EC7 [0,2,0,0,0,0|2,0,0]=4 2551 B10R1.59 Cn1cc(c(n1)C)C(O)C 1P00HBPU [0,2,0,0,0,0|2,0,0]=4 2552 B10R1.59 Cn1cc(c(n1)[C@@H](O)C)C 1P0289K5 [0,2,0,0,0,0|2,0,0]=4 2553 B10R1.59 Cn1cc(c(n1)[C@H](O)C)C 1P028PGA [0,2,0,0,0,0|2,0,0]=4 2554 B10R1.59 Cn1nc(c(c1)C(=O)C)C 1P00DC1M [0,2,0,0,0,0|2,0,0]=4 2555 B10R1.59 Cn1nc(c(c1)C(=O)C)C 1P00J3FC [0,2,0,0,0,0|2,0,0]=4 2556 B10R1.59 Nc1nc(c(s1)C(=O)C)C 1P0031KT [0,2,0,0,0,0|1,1,0]=4 2557 B10R1.59 Nc1nc(c(s1)C(=O)C)C 1P019LN4 [0,2,0,0,0,0|1,1,0]=4 2558 B10R1.59 Nc1nc(c(s1)C)C(C)C 1P000405 [0,2,0,0,0,0|1,1,0]=4 2559 B10R1.59 Nc1nc(c(s1)C)C(N)C 1P028KSE [0,2,0,0,0,0|1,1,0]=4 2560 B10R1.59 Nc1sc(c(n1)C(=O)C)C 1P00C68M [0,2,0,0,0,0|1,1,0]=4 2561 B10R1.59 Nc1sc(c(n1)C(=O)C)C 1P00J4KL [0,2,0,0,0,0|1,1,0]=4 2562 B10R1.59 OC(=O)c1nc([nH]c1C)C 1P004UNB [0,2,0,0,0,0|1,0,1]=4 2563 B10R1.59 OC(=O)c1nc([nH]c1C)C 1P01AN9I [0,2,0,0,0,0|1,0,1]=4 2564 B10R1.59 [O-][N+](=O)c1[nH]c(nc1C)C 1P01I7AW [0,2,0,0,0,0|2,0,0]=4 2565 B10R1.130 CCCn1nc(cc1C)C 1P01AHH0 [0,2,0,0,0,0|2,0,0]=4 2566 B10R1.130 CCOc1sc(nc1Br)C 1P0041W7 [0,2,0,0,0,0|1,1,0]=4 2567 B10R1.130 CCOc1sc(nc1I)C 1P028XMQ [0,2,0,0,0,0|1,1,0]=4 2568 B10R1.130 CNCc1cc(nn1C)C 1P004QPP [0,2,0,0,0,0|2,0,0]=4 2569 B10R1.130 CNCc1cc(nn1C)C 1P028X7A [0,2,0,0,0,0|2,0,0]=4 2570 B10R1.130 CNCc1cc(sc1C)C 1P01XIRZ [0,2,0,0,0,0|1,1,0]=4 2571 B10R1.130 CNCc1cn(nc1C)C 1P00J1LT [0,2,0,0,0,0|2,0,0]=4 2572 B10R1.130 Cc1cc(nn1CC#C)C 1P01AHAB [0,2,0,0,0,0|2,0,0]=4 2573 B10R1.130 Cc1cc(nn1CC#N)C 1P00910G [0,2,0,0,0,0|2,0,0]=4 2574 B10R1.130 Cc1cc(nn1CC=C)C 1P003EDV [0,2,0,0,0,0|2,0,0]=4 2575 B10R1.130 Cc1cc(nn1CCBr)C 1P00FLZW [0,2,0,0,0,0|2,0,0]=4 2576 B10R1.130 Cc1cc(nn1CCBr)C 1P01A9VM [0,2,0,0,0,0|2,0,0]=4 2577 B10R1.130 Cc1cc(nn1CCCl)C 1P00C5SJ [0,2,0,0,0,0|2,0,0]=4 2578 B10R1.130 Cc1cc(nn1CCCl)C 1P027ZUL [0,2,0,0,0,0|2,0,0]=4 2579 B10R1.130 Cc1cc(nn1CCN)C 1P00391C [0,2,0,0,0,0|2,0,0]=4 2580 B10R1.130 Cc1cc(nn1CCN)C 1P00J3RG [0,2,0,0,0,0|2,0,0]=4 2581 B10R1.130 Cc1cc(nn1CCN)C 1P01AQPB [0,2,0,0,0,0|2,0,0]=4 2582 B10R1.130 Cc1cc(nn1CCO)C 1P002CYK [0,2,0,0,0,0|2,0,0]=4 2583 B10R1.130 Cc1cn(nc1CCN)C 1P01BO55 [0,2,0,0,0,0|2,0,0]=4 2584 B10R1.130 Cc1nc(nn1CC#C)C 1P01AI06 [0,2,0,0,0,0|2,0,0]=4 2585 B10R1.130 Cc1nc(nn1CCCl)C 1P019TJT [0,2,0,0,0,0|2,0,0]=4 2586 B10R1.130 Cc1nc(nn1CCN)C 1P008CWR [0,2,0,0,0,0|2,0,0]=4 2587 B10R1.130 Cc1nc(nn1CCN)C 1P01FLXR [0,2,0,0,0,0|2,0,0]=4 2588 B10R1.130 Cc1nc(nn1CCO)C 1P00DDG1 [0,2,0,0,0,0|2,0,0]=4 2589 B10R1.130 Cc1nc(sc1CC#N)C 1P00DC6L [0,2,0,0,0,0|0,1,0]=3 2590 B10R1.130 Cc1nc(sc1CCN)C 1P007KCV [0,2,0,0,0,0|0,1,0]=3 2591 B10R1.130 Cc1nc(sc1CCO)C 1P01C86A [0,2,0,0,0,0|0,1,0]=3 2592 B10R1.130 Cc1nn(c(=O)o1)CCBr 1P01BVXS [0,2,0,0,0,0|2,0,0]=4 2593 B10R1.130 Cc1nn(cc1CCO)C 1P01AV9M [0,2,0,0,0,0|2,0,0]=4 2594 B10R1.130 Cc1oc(cc1N=C=O)C 1P024UNZ [0,2,0,0,0,0|1,0,1]=4 2595 B10R1.130 Cc1oc(nc1CC#N)C 1P0286PI [0,2,0,0,0,0|0,0,0]=2 2596 B10R1.130 Cc1oc(nc1CCN)C 1P01A3HJ [0,2,0,0,0,0|0,0,0]=2 2597 B10R1.130 Cc1sc(cc1CCN)C 1P028KBK [0,2,0,0,0,0|1,1,0]=4 2598 B10R1.130 Cc1sc(cc1CCO)C 1P00BHT9 [0,2,0,0,0,0|1,1,0]=4 2599 B10R1.130 Cc1sc(nc1CCO)Br 1P003H3Z [0,2,0,0,0,0|1,1,0]=4 2600 B10R1.130 Cn1nc(cc1CC#N)C 1P008S4B [0,2,0,0,0,0|2,0,0]=4 2601 B10R1.130 NCCc1sc(nc1C)N 1P00A47S [0,2,0,0,0,0|1,1,0]=4 2602 B10R1.130 NCCc1sc(nc1C)N 1P01DTW3 [0,2,0,0,0,0|1,1,0]=4 2603 B10R1.130 NCCn1nc(cc1C)C 1P00J3WF [0,2,0,0,0,0|2,0,0]=4 2604 B10R1.130 NCCn1nc(nc1C)C 1P00J2A8 [0,2,0,0,0,0|2,0,0]=4 2605 B10R1.256 BrCc1c(C)nn(c1C)C 1P00J2YZ [0,2,0,0,0,0|2,0,0]=4 2606 B10R1.256 C#Cc1c(C)nn(c1C)C 1P00J363 [0,2,0,0,0,0|2,0,0]=4 2607 B10R1.256 CCc1c(C)nn(c1N)C 1P00J1Y9 [0,2,0,0,0,0|2,0,0]=4 2608 B10R1.256 CCc1n(C)nc(c1N)C 1P01BCMC [0,2,0,0,0,0|2,0,0]=4 2609 B10R1.256 CCn1c(C)nc(c1N)C 1P027Z4R [0,2,0,0,0,0|2,0,0]=4 2610 B10R1.256 COC1=C(C)OC(C1=O)C 1P003GG8 [0,2,0,0,0,0|1,0,1]=4 2611 B10R1.256 COc1n(C)nc(c1N)C 1P01AJ44 [0,2,0,0,0,0|2,0,0]=4 2612 B10R1.256 CSc1n(C)nc(c1N)C 1P027VT6 [0,2,0,0,0,0|2,0,0]=4 2613 B10R1.256 ClCc1c(C)nn(c1Cl)C 1P00IJS1 [0,2,0,0,0,0|2,0,0]=4 2614 B10R1.256 ClCc1c(C)nn(c1F)C 1P01FINO [0,2,0,0,0,0|2,0,0]=4 2615 B10R1.256 ClCc1n(C)nc(c1Br)C 1P0292EG [0,2,0,0,0,0|2,0,0]=4 2616 B10R1.256 N#Cc1c(C)nn(c1C)C 1P008VVA [0,2,0,0,0,0|2,0,0]=4 2617 B10R1.256 N#Cc1c(N)oc(c1C)C 1P00D8XY [0,2,0,0,0,0|2,0,0]=4 2618 B10R1.256 NCc1c(C)nn(c1C)C 1P000N27 [0,2,0,0,0,0|2,0,0]=4 2619 B10R1.256 NCc1c(C)nn(c1C)C 1P007FKC [0,2,0,0,0,0|2,0,0]=4 2620 B10R1.256 NCc1c(C)nn(c1Cl)C 1P028A2R [0,2,0,0,0,0|2,0,0]=4 2621 B10R1.256 NCc1c(C)nn(c1O)C 1P01FIBK [0,2,0,0,0,0|2,0,0]=4 2622 B10R1.256 NCc1c(C)sc(c1Br)C 1P01FJ2R [0,2,0,0,0,0|1,1,0]=4 2623 B10R1.256 O=Cc1c(C)[nH]c(c1C)C 1P00C2L9 [0,2,0,0,0,0|1,0,1]=4 2624 B10R1.256 O=Cc1c(C)nn(c1C)C 1P002TP1 [0,2,0,0,0,0|2,0,0]=4 2625 B10R1.256 OCc1c(Br)nc(n1C)C 1P0291XA [0,2,0,0,0,0|2,0,0]=4 2626 B10R1.256 OCc1c(C)nn(c1C)C 1P003BVC [0,2,0,0,0,0|2,0,0]=4 2627 B10R1.256 OCc1c(C)nn(c1Cl)C 1P009AMM [0,2,0,0,0,0|2,0,0]=4 2628 B10R1.256 OCc1c(C)oc(c1C)C 1P01DZPT [0,2,0,0,0,0|1,0,0]=3 2629 B10R1.256 OCc1n(C)nc(c1Br)C 1P00HVHY [0,2,0,0,0,0|2,0,0]=4 2630 B10R1.256 OCc1n(C)nc(c1I)C 1P01DI6F [0,2,0,0,0,0|2,0,0]=4 2631 B10R1.58 CC(=O)c1cc(c(o1)C)Br 1P027U1F [0,2,0,0,0,0|2,0,0]=4 2632 B10R1.58 CC(=O)c1cn(c(n1)C)C 1P009O5H [0,2,0,0,0,0|2,0,0]=4 2633 B10R1.58 CC(=O)c1nn(c(c1)C)C 1P01B8L1 [0,2,0,0,0,0|2,0,0]=4 2634 B10R1.58 CC(=O)c1oc(c(c1)C)C 1P00FARO [0,2,0,0,0,0|1,0,0]=3 2635 B10R1.58 CC(=O)c1sc(c(n1)C)C 1P005YXG [0,2,0,0,0,0|0,1,0]=3 2636 B10R1.58 CC(c1nc(c(s1)N)C)C 1P01C5B0 [0,2,0,0,0,0|1,1,0]=4 2637 B10R1.58 CC(c1sc(c(n1)C)C)C 1P00DADY [0,2,0,0,0,0|0,1,0]=3 2638 B10R1.58 CC(c1sc(c(n1)C)C)O 1P028V0D [0,2,0,0,0,0|0,1,0]=3 2639 B10R1.58 CN(c1nc(c(s1)Br)C)C 1P01BBMY [0,2,0,0,0,0|1,1,0]=4 2640 B10R1.58 Cc1[nH]c(nc1C)C(=O)C 1P02932M [0,2,0,0,0,0|1,0,0]=3 2641 B10R1.58 Cc1[nH]c(nc1C)C(=O)[O-] 1P01B7AD [0,2,0,0,0,0|1,0,1]=4 2642 B10R1.58 Cc1[nH]c(nc1C)C(N)C 1P01AJ39 [0,2,0,0,0,0|1,0,0]=3 2643 B10R1.58 OC(=O)c1oc(c(c1)C)C 1P003WOV [0,2,0,0,0,0|1,0,1]=4 2644 B10R1.58 OC(=O)c1sc(c(n1)C)C 1P008MUO [0,2,0,0,0,0|0,1,1]=4 2645 B10R1.58 [O-]C(=O)c1oc(c(n1)C)C 1P027UQ2 [0,2,0,0,0,0|0,0,1]=3 2646 B10R1.131 CNCc1nn(c(c1)C)C 1P027WTA [0,2,0,0,0,0|2,0,0]=4 2647 B10R1.131 N#CCc1[nH]c(c(n1)C)C 1P02934H [0,2,0,0,0,0|1,0,0]=3 2648 B10R1.131 N#CCc1sc(c(n1)C)C 1P01ALA5 [0,2,0,0,0,0|0,1,0]=3 2649 B10R1.131 NCCc1nn(c(c1)C)C 1P01BNU6 [0,2,0,0,0,0|2,0,0]=4 2650 B10R1.131 NCCc1sc(c(n1)C)C 1P00H5OQ [0,2,0,0,0,0|0,1,0]=3 2651 B10R1.131 NCCc1sc(c(n1)C)C 1P00J1UC [0,2,0,0,0,0|0,1,0]=3 2652 B10R1.131 OCCc1sc(c(n1)C)C 1P01AV8Z [0,2,0,0,0,0|0,1,0]=3 2653 B10R1.131 [N-]=[N+]=Nc1sc(c(n1)C)C 1P028DOL [0,2,0,0,0,0|1,1,0]=4 2654 B10R1.191 CC1C(=C(C(=C1C)C)C)C 1P00330N [0,2,0,0,0,0|2,0,0]=4 2655 B10R1.191 CC1C(=C(C(=C1C)C)C)C 1P003OSH [0,2,0,0,0,0|2,0,0]=4 2656 B10R1.191 C[C-]1C(=C(C(=C1C)C)C)C 1P0002X7 [0,2,0,0,0,0|2,0,0]=4 2657 B10R1.191 C[C-]1C(=C(C(=C1C)C)C)C 1P003OSF [0,2,0,0,0,0|2,0,0]=4 2658 B10R1.191 C[C-]1C(=C(C(=C1C)C)C)C 1P003OSI [0,2,0,0,0,0|2,0,0]=4 2659 B10R1.191 C[C-]1C(=C(C(=C1C)C)C)C 1P003PT9 [0,2,0,0,0,0|2,0,0]=4 2660 B10R1.191 C[C-]1C(=C(C(=C1C)C)C)C 1P00HHSB [0,2,0,0,0,0|2,0,0]=4 2661 B10R1.191 C[C]1C(=C(C(=C1C)C)C)C 1P008W1W [0,2,0,0,0,0|2,0,0]=4 2662 B8R1.4 Cc1cccc(n1)C 1P0033IS [0,0,1,1,0,0|1,0,1]=4 2663 B8R1.4 Cc1ccnc(c1)C 1P0039FY [0,0,1,1,0,0|1,0,1]=4 2664 B8R1.4 Cc1ccnc(n1)C 1P009I3B [0,0,1,1,0,0|1,0,1]=4 2665 B8R1.4 Cc1ccnc(n1)O 1P006UK2 [0,0,1,1,0,0|1,0,1]=4 2666 B8R1.4 Cc1cncc(n1)C 1P003GMF [0,0,1,1,0,0|2,0,0]=4 2667 B8R1.4 O=C1CCC=C(O1)C 1P00C0V1 [0,0,1,1,0,0|1,0,0]=3 2668 B8R1.5 CC1=NCCN=C1C 1P001RXR [0,0,1,1,0,0|1,0,1]=4 2669 B8R1.5 Cc1ncccc1C 1P003G1A [0,0,1,1,0,0|1,0,1]=4 2670 B8R1.5 Cc1nccnc1C 1P003G19 [0,0,1,1,0,0|1,0,1]=4 2671 B8R1.5 Cc1nnccc1C 1P01AMA9 [0,0,1,1,0,0|2,0,0]=4 2672 B8R1.5 Oc1cccnc1C 1P00346K [0,0,1,1,0,0|0,0,2]=4 2673 B8R1.5 Oc1cncnc1C 1P0004JY [0,0,1,1,0,0|1,0,1]=4 2674 B8R1.7 OC(=O)C1=NOCC1 1P01AG5J [0,0,1,1,0,0|2,0,0]=4 2675 B10R2.2 Brc1sc2c(n1)CCC2 1P0084EX [0,1,0,1,0,0|1,1,0]=4 2676 B10R2.2 Brc1sc2c(n1)CNC2 1P01XH5O [0,1,0,1,0,0|1,1,0]=4 2677 B10R2.2 Cc1cc2n(n1)CCN2 1P01EJGU [0,1,0,1,0,0|2,0,0]=4 2678 B10R2.2 Cc1sc2c(n1)CNC2 1P01BRLU [0,1,0,1,0,0|0,1,0]=3 2679 B10R2.2 Clc1sc2c(n1)CCC2 1P00BTAG [0,1,0,1,0,0|1,1,0]=4 2680 B10R2.2 Cn1nc2c(c1)CNC2 1P01QYO2 [0,1,0,1,0,0|2,0,0]=4 2681 B10R2.2 Nc1sc2c(n1)CCC2 1P006UA1 [0,1,0,1,0,0|1,1,0]=4 2682 B10R2.2 Nc1sc2c(n1)CCC2 1P00G2WQ [0,1,0,1,0,0|1,1,0]=4 2683 B10R2.2 Nc1sc2c(n1)CCC2 1P01FJXE [0,1,0,1,0,0|1,1,0]=4 2684 B10R2.2 Nc1sc2c(n1)CNC2 1P028BS0 [0,1,0,1,0,0|1,1,0]=4 2685 B10R2.2 Sc1[nH]c2c(n1)CCC2 1P01BAT9 [0,1,0,1,0,0|2,0,0]=4 2686 B8R1.3 Brc1ccc(cn1)C 1P0033MK [1,0,0,0,0,1|2,0,0]=4 2687 B8R1.3 Brc1cnc(nc1)C 1P0034OG [1,0,0,0,0,1|2,0,0]=4 2688 B8R1.3 Cc1c[nH]c(=O)cn1 1P002JDA [1,0,0,0,0,1|2,0,0]=4 2689 B8R1.3 Cc1ccc(=O)[nH]n1 1P0014ZS [1,0,0,0,0,1|2,0,0]=4 2690 B8R1.3 Cc1ccc(=O)[nH]n1 1P003NRL [1,0,0,0,0,1|2,0,0]=4 2691 B8R1.3 Cc1ccc(=O)[nH]n1 1P0068H5 [1,0,0,0,0,1|2,0,0]=4 2692 B8R1.3 Cc1ccc(cc1)C 1P003608 [1,0,0,0,0,1|2,0,0]=4 2693 B8R1.3 Cc1ccc(cn1)Br 1P0034OK [1,0,0,0,0,1|2,0,0]=4 2694 B8R1.3 Cc1ccc(cn1)C 1P0033HD [1,0,0,0,0,1|1,0,0]=3 2695 B8R1.3 Cc1ccc(cn1)Cl 1P003707 [1,0,0,0,0,1|2,0,0]=4 2696 B8R1.3 Cc1ccc(cn1)F 1P0038JB [1,0,0,0,0,1|2,0,0]=4 2697 B8R1.3 Cc1ccc(cn1)I 1P005Y11 [1,0,0,0,0,1|2,0,0]=4 2698 B8R1.3 Cc1ccc(cn1)N 1P003MU7 [1,0,0,0,0,1|2,0,0]=4 2699 B8R1.3 Cc1ccc(cn1)O 1P003K0R [1,0,0,0,0,1|2,0,0]=4 2700 B8R1.3 Cc1ccc(cn1)[S-] 1P01FLFN [1,0,0,0,0,1|2,0,0]=4 2701 B8R1.3 Cc1ccc(nn1)Br 1P00343A [1,0,0,0,0,1|2,0,0]=4 2702 B8R1.3 Cc1ccc(nn1)C 1P001UBL [1,0,0,0,0,1|1,0,0]=3 2703 B8R1.3 Cc1ccc(nn1)Cl 1P003JQR [1,0,0,0,0,1|2,0,0]=4 2704 B8R1.3 Cc1ccc(nn1)F 1P01BY1P [1,0,0,0,0,1|2,0,0]=4 2705 B8R1.3 Cc1ccc(nn1)I 1P001WDP [1,0,0,0,0,1|2,0,0]=4 2706 B8R1.3 Cc1ccc(nn1)N 1P003420 [1,0,0,0,0,1|2,0,0]=4 2707 B8R1.3 Cc1ccc(nn1)S 1P00EGKW [1,0,0,0,0,1|2,0,0]=4 2708 B8R1.3 Cc1cnc(=S)[nH]c1 1P019VBZ [1,0,0,0,0,1|2,0,0]=4 2709 B8R1.3 Cc1cnc(nc1)Br 1P001MP5 [1,0,0,0,0,1|2,0,0]=4 2710 B8R1.3 Cc1cnc(nc1)Cl 1P003HFX [1,0,0,0,0,1|2,0,0]=4 2711 B8R1.3 Cc1cnc(nc1)F 1P00EIC2 [1,0,0,0,0,1|2,0,0]=4 2712 B8R1.3 Cc1cnc(nc1)I 1P00AR5N [1,0,0,0,0,1|2,0,0]=4 2713 B8R1.3 Cc1cnc(nc1)N 1P00DC10 [1,0,0,0,0,1|2,0,0]=4 2714 B8R1.3 Cc1cnc(nc1)O 1P00C7DH [1,0,0,0,0,1|2,0,0]=4 2715 B8R1.3 Cc1cnc(nc1)O 1P00J31R [1,0,0,0,0,1|2,0,0]=4 2716 B8R1.3 Cc1cnc(nc1)S 1P00C7RF [1,0,0,0,0,1|2,0,0]=4 2717 B8R1.3 Cc1ncc(nc1)Br 1P0038ZG [1,0,0,0,0,1|2,0,0]=4 2718 B8R1.3 Cc1ncc(nc1)C 1P000KCZ [1,0,0,0,0,1|1,0,0]=3 2719 B8R1.3 Cc1ncc(nc1)Cl 1P0037HG [1,0,0,0,0,1|2,0,0]=4 2720 B8R1.3 Cc1ncc(nc1)I 1P00GZ59 [1,0,0,0,0,1|2,0,0]=4 2721 B8R1.3 Cc1ncc(nc1)N 1P003ND3 [1,0,0,0,0,1|2,0,0]=4 2722 B8R1.3 Cc1nnc(nn1)C 1P00B0KS [1,0,0,0,0,1|2,0,0]=4 2723 B8R1.3 Clc1ccc(cn1)C 1P0039DK [1,0,0,0,0,1|2,0,0]=4 2724 B8R1.3 Clc1cnc(nc1)C 1P00DGG9 [1,0,0,0,0,1|2,0,0]=4 2725 B8R1.3 Fc1ccc(cn1)C 1P002OMU [1,0,0,0,0,1|2,0,0]=4 2726 B8R1.3 Fc1cnc(nc1)C 1P00DICK [1,0,0,0,0,1|2,0,0]=4 2727 B8R1.3 Ic1ccc(cn1)C 1P00BFPI [1,0,0,0,0,1|2,0,0]=4 2728 B8R1.3 Ic1cnc(nc1)C 1P020M10 [1,0,0,0,0,1|2,0,0]=4 2729 B8R1.3 Nc1ccc(cn1)C 1P003GY3 [1,0,0,0,0,1|2,0,0]=4 2730 B8R1.3 Nc1cnc(nc1)C 1P003MU8 [1,0,0,0,0,1|2,0,0]=4 2731 B8R1.3 Nc1ncc(nn1)C 1P002IF4 [1,0,0,0,0,1|2,0,0]=4 2732 B8R1.3 Oc1ccc(cn1)C 1P0068BS [1,0,0,0,0,1|2,0,0]=4 2733 B8R1.3 Oc1cnc(nc1)C 1P003N92 [1,0,0,0,0,1|2,0,0]=4 2734 B8R1.3 Sc1ccc(cn1)C 1P007TI4 [1,0,0,0,0,1|2,0,0]=4