0 B11R1.25 COC(=O)CCn1cncn1 AB31518 [1,0,0,0,0,0|3,0,0]=4 1 B13R1.33 CCOC(=O)CC(=O)c1ccco1 AB03499 [0,1,0,0,0,0|0,0,1]=2 2 B13R1.33 CCOC(=O)CC(=O)c1cccs1 PB17170 [0,1,0,0,0,0|0,1,1]=3 3 B13R1.33 CCOC(=O)CC(=O)c1nccs1 AB18174 [0,1,0,0,0,0|1,1,1]=4 4 B13R1.66 CCOC(=O)C(CC1=NC=NC1)N AB27869 [0,1,0,0,0,0|2,0,1]=4 5 B13R1.66 CCOC(=O)[C@@H](CC1=NC=NC1)N AB27871 [0,1,0,0,0,0|2,0,1]=4 6 B13R1.444 CCOC(=O)CCC1=C(C=NC1)C MB14624 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.30 CCOC(=O)CC1=NC=CC1 PB18028 [0,0,0,0,1,0|1,0,1]=3 8 B11R1.30 CCOC(=O)Cc1ncco1 AB62459 [0,0,0,0,1,0|1,0,0]=2 9 B11R1.30 CCOC(=O)Cc1nnco1 AB58072 [0,0,0,0,1,0|2,0,0]=3 10 B11R1.30 CCOC(=O)Cn1ccnn1 AB16642 [0,0,0,0,1,0|3,0,0]=4 11 B11R1.30 CCOC(=O)Cn1nccn1 AB16638 [0,0,0,0,1,0|3,0,0]=4 12 B10R1.66 C1C=CN=C1CCC(=O)O CB11077 [2,0,0,0,0,0|1,0,1]=4 13 B12R1.31 CCOC(=O)Cc1csc(n1)S MB01730 [0,1,0,0,1,0|2,0,0]=4 14 B12R1.31 CCOC(=O)Cc1nc(cs1)C AB09946 [0,1,0,0,1,0|1,1,0]=4 15 B12R1.31 CCOC(=O)Cc1nnc(o1)C AB58076 [0,1,0,0,1,0|2,0,0]=4 16 B12R1.55 CCOC(=O)C(=O)c1cccs1 PB14078 [0,1,0,0,1,0|0,1,1]=4 17 B12R1.318 CCOC(=O)Cc1c(ncs1)C AB24879 [0,1,0,0,1,0|1,1,0]=4 18 B14R1.29 CCOC(=O)CC(=O)c1cccnc1 PB14133 [0,1,0,0,0,1|1,0,1]=4 19 B14R1.29 CCOC(=O)CC(=O)c1ccncc1 PB13020 [0,1,0,0,0,1|1,0,1]=4 20 B14R1.29 CCOC(=O)CC(=O)c1cnccn1 AB18180 [0,1,0,0,0,1|1,0,1]=4 21 B14R1.32 CCOC(=O)COc1cccc(c1)Br AB16880 [0,1,0,0,0,1|2,0,0]=4 22 B14R1.32 CCOC(=O)COc1cccc(c1)C AB08349 [0,1,0,0,0,1|2,0,0]=4 23 B14R1.32 CCOC(=O)COc1cccc(c1)Cl AB22457 [0,1,0,0,0,1|2,0,0]=4 24 B14R1.32 CCOC(=O)COc1cccc(c1)F AB26126 [0,1,0,0,0,1|2,0,0]=4 25 B14R1.32 CCOC(=O)COc1cccc(c1)I AB26123 [0,1,0,0,0,1|2,0,0]=4 26 B14R1.60 CCOC(=O)C(Cc1ccccn1)N AB21681 [0,1,0,0,0,1|1,0,0]=3 27 B14R1.502 CCOC(=O)CCc1ccc(cc1)N MB04702 [0,1,0,0,0,1|1,0,0]=3 28 B14R1.502 CCOC(=O)COc1ccc(cc1)Br AB06130 [0,1,0,0,0,1|2,0,0]=4 29 B14R1.502 CCOC(=O)COc1ccc(cc1)C AB04789 [0,1,0,0,0,1|2,0,0]=4 30 B14R1.502 CCOC(=O)COc1ccc(cc1)Cl AB07801 [0,1,0,0,0,1|2,0,0]=4 31 B14R1.502 CCOC(=O)COc1ccc(cc1)F AB14478 [0,1,0,0,0,1|2,0,0]=4 32 B14R1.502 CCOC(=O)COc1ccc(cc1)I AB26118 [0,1,0,0,0,1|2,0,0]=4 33 B12R1.32 CCOC(=O)Cc1ccccn1 AB00728 [0,0,1,1,0,0|1,0,1]=4 34 B14R2.21 c1ccc(cc1)C2CCCC(=O)C2 AB04809 [0,0,0,1,0,1|2,0,0]=4 35 B14R2.50 c1cc(oc1)CC2C(=O)NCCN2 AB38240 [0,1,0,1,0,0|1,0,0]=3 36 B14R2.50 c1cc(oc1)C[C@@H]2C(=O)NCCN2 AB38244 [0,1,0,1,0,0|1,0,0]=3 37 B14R2.50 c1cc(oc1)C[C@H]2C(=O)NCCN2 AB38242 [0,1,0,1,0,0|1,0,0]=3 38 B14R2.50 c1cc(sc1)CC2C(=O)NCCN2 AB38245 [0,1,0,1,0,0|1,1,0]=4 39 B14R2.50 c1cc(sc1)C[C@@H]2C(=O)NCCN2 AB38250 [0,1,0,1,0,0|1,1,0]=4 40 B14R2.50 c1cc(sc1)C[C@H]2C(=O)NCCN2 AB38249 [0,1,0,1,0,0|1,1,0]=4 41 B10R1.27 COC(=O)Cc1ccsc1 PB15626 [1,0,0,0,1,0|2,0,0]=4 42 B10R1.11 CCOC(=O)c1[nH]ccn1 AB14751 [0,0,0,0,2,0|2,0,0]=4 43 B10R1.11 CCOC(=O)c1ccon1 PB14547 [0,0,0,0,2,0|2,0,0]=4 44 B10R1.11 CCOC(=O)c1cnco1 AB19292 [0,0,0,0,2,0|1,0,0]=3 45 B10R1.11 CCOC(=O)c1cncs1 PB17345 [0,0,0,0,2,0|1,1,0]=4 46 B10R1.11 CCOC(=O)c1cocn1 PB21846 [0,0,0,0,2,0|2,0,0]=4 47 B10R1.11 CCOC(=O)c1cscn1 AB16049 [0,0,0,0,2,0|2,0,0]=4 48 B10R1.11 CCOC(=O)c1ncco1 AB19317 [0,0,0,0,2,0|1,0,0]=3 49 B10R1.11 CCOC(=O)c1nccs1 AB23232 [0,0,0,0,2,0|1,1,0]=4 50 B10R1.11 CCOC(=O)c1nnco1 AB58071 [0,0,0,0,2,0|2,0,0]=4 51 B14R1.520 CCOC(=O)C\N=C\c1ccccc1 AB04772 [0,0,0,0,0,2|1,0,1]=4