0 B23R3.938635 O=C(NCC1CCN(C1)Cc2ccccc2)c3cccs3 WXVL_AK1011SC0051 [0,0,0,0,0,1|3,0,0]=4 1 B23R3.938635 O=C(NCC1CCN(C1)Cc2ccccc2)c3cccs3 WXVL_AK1011SC0051 [0,0,0,0,0,1|3,0,0]=4 2 B22R3.63935 O=C(/C=C/c1cccs1)N2CCC(C2)c3ccccc3 WXVL_AN00346SA0001 [1,1,0,0,0,0|0,0,2]=4 3 B22R3.63935 O=C(/C=C/c1cccs1)N2CCC(C2)c3ccccc3 WXVL_AN00346SA0001 [1,1,0,0,0,0|0,0,2]=4 4 B22R3.63935 O=C(CCc1cccs1)N2CCC(C2)c3ccccc3 WXVL_AN00346SA0303 [1,1,0,0,0,0|0,0,2]=4 5 B22R3.63935 O=C(CCc1cccs1)N2CCC(C2)c3ccccc3 WXVL_AN00346SA0303 [1,1,0,0,0,0|0,0,2]=4 6 B22R3.87370 O=C(C(=O)N1CCC(C1)c2ccccc2)c3ccco3 WXVL_AN00346SA0049 [0,1,0,0,1,0|0,1,1]=4 7 B22R3.87370 O=C(C(=O)N1CCC(C1)c2ccccc2)c3ccco3 WXVL_AN00346SA0049 [0,1,0,0,1,0|0,1,1]=4 8 B24R3.66957 O=C(NCC(=O)N1CCC(C1)c2ccccc2)c3cccs3 WXVL_AN00346SA0161 [0,1,0,0,0,1|0,0,1]=3 9 B24R3.66957 O=C(NCC(=O)N1CCC(C1)c2ccccc2)c3cccs3 WXVL_AN00346SA0161 [0,1,0,0,0,1|0,0,1]=3 10 B24R3.66957 O=C(NCC(=O)N1CCC(C1)c2ccncc2)c3cccs3 WXVL_AN2314SA0161 [0,1,0,0,0,1|1,0,1]=4 11 B24R3.66957 O=C(NCC(=O)N1CCC(C1)c2ccncc2)c3cccs3 WXVL_AN2314SA0161 [0,1,0,0,0,1|1,0,1]=4 12 B20R3.2305 O=C(c1c[nH]cn1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0074 [0,0,0,0,2,0|2,0,0]=4 13 B20R3.2305 O=C(c1c[nH]cn1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0074 [0,0,0,0,2,0|2,0,0]=4 14 B20R3.2305 O=C(c1cc[nH]c1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0013 [0,0,0,0,2,0|2,0,0]=4 15 B20R3.2305 O=C(c1cc[nH]c1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0013 [0,0,0,0,2,0|2,0,0]=4 16 B20R3.2305 O=C(c1cc[nH]n1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0003 [0,0,0,0,2,0|2,0,0]=4 17 B20R3.2305 O=C(c1cc[nH]n1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0003 [0,0,0,0,2,0|2,0,0]=4 18 B20R3.2305 O=C(c1ccco1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0049 [0,0,0,0,2,0|0,1,0]=3 19 B20R3.2305 O=C(c1ccco1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0049 [0,0,0,0,2,0|0,1,0]=3 20 B20R3.2305 O=C(c1ccco1)N2CCC(C2)c3ccncc3 WXVL_AN2314SC0049 [0,0,0,0,2,0|1,1,0]=4 21 B20R3.2305 O=C(c1ccco1)N2CCC(C2)c3ccncc3 WXVL_AN2314SC0049 [0,0,0,0,2,0|1,1,0]=4 22 B20R3.2305 O=C(c1cccs1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0051 [0,0,0,0,2,0|0,0,0]=2 23 B20R3.2305 O=C(c1cccs1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0051 [0,0,0,0,2,0|0,0,0]=2 24 B20R3.2305 O=C(c1cccs1)N2CCC(C2)c3ccncc3 WXVL_AN2314SC0051 [0,0,0,0,2,0|1,0,0]=3 25 B20R3.2305 O=C(c1cccs1)N2CCC(C2)c3ccncc3 WXVL_AN2314SC0051 [0,0,0,0,2,0|1,0,0]=3 26 B20R3.2305 O=C(c1ccno1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0080 [0,0,0,0,2,0|1,1,0]=4 27 B20R3.2305 O=C(c1ccno1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0080 [0,0,0,0,2,0|1,1,0]=4 28 B20R3.2305 O=C(c1ccns1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0027 [0,0,0,0,2,0|1,0,0]=3 29 B20R3.2305 O=C(c1ccns1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0027 [0,0,0,0,2,0|1,0,0]=3 30 B20R3.2305 O=C(c1ccns1)N2CCC(C2)c3ccncc3 WXVL_AN2314SC0027 [0,0,0,0,2,0|2,0,0]=4 31 B20R3.2305 O=C(c1ccns1)N2CCC(C2)c3ccncc3 WXVL_AN2314SC0027 [0,0,0,0,2,0|2,0,0]=4 32 B20R3.2305 O=C(c1ccoc1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0050 [0,0,0,0,2,0|2,0,0]=4 33 B20R3.2305 O=C(c1ccoc1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0050 [0,0,0,0,2,0|2,0,0]=4 34 B20R3.2305 O=C(c1ccon1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0116 [0,0,0,0,2,0|2,0,0]=4 35 B20R3.2305 O=C(c1ccon1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0116 [0,0,0,0,2,0|2,0,0]=4 36 B20R3.2305 O=C(c1ccsc1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0054 [0,0,0,0,2,0|2,0,0]=4 37 B20R3.2305 O=C(c1ccsc1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0054 [0,0,0,0,2,0|2,0,0]=4 38 B20R3.2305 O=C(c1ccsn1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0764 [0,0,0,0,2,0|2,0,0]=4 39 B20R3.2305 O=C(c1ccsn1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0764 [0,0,0,0,2,0|2,0,0]=4 40 B20R3.2305 O=C(c1cnc[nH]1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0247 [0,0,0,0,2,0|2,0,0]=4 41 B20R3.2305 O=C(c1cnc[nH]1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0247 [0,0,0,0,2,0|2,0,0]=4 42 B20R3.2305 O=C(c1cnco1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0018 [0,0,0,0,2,0|1,1,0]=4 43 B20R3.2305 O=C(c1cnco1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0018 [0,0,0,0,2,0|1,1,0]=4 44 B20R3.2305 O=C(c1cncs1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0113 [0,0,0,0,2,0|1,0,0]=3 45 B20R3.2305 O=C(c1cncs1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0113 [0,0,0,0,2,0|1,0,0]=3 46 B20R3.2305 O=C(c1cncs1)N2CCC(C2)c3ccncc3 WXVL_AN2314SC0113 [0,0,0,0,2,0|2,0,0]=4 47 B20R3.2305 O=C(c1cncs1)N2CCC(C2)c3ccncc3 WXVL_AN2314SC0113 [0,0,0,0,2,0|2,0,0]=4 48 B20R3.2305 O=C(c1cocn1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0118 [0,0,0,0,2,0|2,0,0]=4 49 B20R3.2305 O=C(c1cocn1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0118 [0,0,0,0,2,0|2,0,0]=4 50 B20R3.2305 O=C(c1cscn1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0092 [0,0,0,0,2,0|2,0,0]=4 51 B20R3.2305 O=C(c1cscn1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0092 [0,0,0,0,2,0|2,0,0]=4 52 B20R3.2305 O=C(c1nccs1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0110 [0,0,0,0,2,0|1,0,0]=3 53 B20R3.2305 O=C(c1nccs1)N2CCC(C2)c3ccccc3 WXVL_AN00346SC0110 [0,0,0,0,2,0|1,0,0]=3 54 B20R3.2305 O=C(c1nccs1)N2CCC(C2)c3ccncc3 WXVL_AN2314SC0110 [0,0,0,0,2,0|2,0,0]=4 55 B20R3.2305 O=C(c1nccs1)N2CCC(C2)c3ccncc3 WXVL_AN2314SC0110 [0,0,0,0,2,0|2,0,0]=4 56 B20R3.16120 O=C(NC1CC(C1)c2ccccc2)c3cccs3 WXVL_AK2731SC0051 [0,0,0,0,2,0|2,0,0]=4 57 B20R3.16120 O=C(NC1CC(C1)c2ccccc2)c3cccs3 WXVL_AK2731SC0051 [0,0,0,0,2,0|2,0,0]=4