0 B18R3.570036 c1cc(cc2c1cc3ccc(cc3[nH+]2)N)N CHEBI:74711 [0,0,0,0,0,0|0,0,1]=1 1 B18R3.570036 c1cc(cc2c1cc3ccc(cc3[nH+]2)N)[NH3+] CHEBI:74713 [0,0,0,0,0,0|0,0,2]=2 2 B18R3.570036 c1cc(cc2c1cc3ccc(cc3n2)N)N CHEBI:74718 [0,0,0,0,0,0|0,0,0]=0 3 B18R3.570036 c1cc(cc2c1cc3ccc(cc3n2)N)N CHEBI:74723 [0,0,0,0,0,0|0,0,0]=0 4 B18R3.570036 c1cc(cc2c1cc3ccc(cc3n2)N)N CHEBI:8452 [0,0,0,0,0,0|0,0,0]=0 5 B18R3.570036 c1cc2c(cc1N)[s+]c3cc(ccc3n2)N CHEBI:52294 [0,0,0,0,0,0|2,0,0]=2 6 B18R3.570036 c1cc2c(cc1N)[s+]c3cc(ccc3n2)N CHEBI:52295 [0,0,0,0,0,0|2,0,0]=2 7 B18R3.570036 c1cc2c(cc1N)[s+]c3cc(ccc3n2)N CHEBI:52926 [0,0,0,0,0,0|2,0,0]=2 8 B18R3.570036 c1cc2c(cc1O)oc-3cc(=O)ccc3n2 CHEBI:51602 [0,0,0,0,0,0|4,0,0]=4 9 B17R3.3205 c1ccc2cc3cc(ccc3cc2c1)N CHEBI:34260 [1,0,0,0,0,0|1,0,0]=2 10 B17R3.3205 c1ccc2cc3cc(ccc3cc2c1)O CHEBI:37091 [1,0,0,0,0,0|2,0,0]=3 11 B19R3.1560118 CNc1ccc2c(c1)[s+]c3cc(ccc3n2)N CHEBI:87641 [0,1,0,0,0,0|2,0,0]=3 12 B19R3.1560118 CNc1ccc2c(c1)[s+]c3cc(ccc3n2)N CHEBI:87642 [0,1,0,0,0,0|2,0,0]=3 13 B19R3.2152927 C[n+]1c2cc(ccc2cc3c1cc(cc3)N)N CHEBI:383703 [0,1,0,0,0,0|0,0,1]=2 14 B19R3.2152927 C[n+]1c2cc(ccc2cc3c1cc(cc3)N)N CHEBI:60585 [0,1,0,0,0,0|0,0,1]=2 15 B19R3.2152927 C[n+]1c2cc(ccc2cc3c1cc(cc3)N)N CHEBI:74727 [0,1,0,0,0,0|0,0,1]=2 16 B16R2.33 c1cc(ccc1Cc2ccc(cc2)N)N CHEBI:32506 [1,0,1,0,0,0|0,0,1]=3 17 B16R3.1720 c1ccc2c(c1)C=C3C=CC=CC3O2 CHEBI:36442 [2,0,0,0,0,0|1,0,1]=4 18 B16R3.1720 c1ccc2c(c1)C=C3C=CCC=C3O2 CHEBI:36441 [2,0,0,0,0,0|1,0,1]=4 19 B16R3.1720 c1ccc2c(c1)Cc3ccccc3O2 CHEBI:10057 [2,0,0,0,0,0|1,0,1]=4 20 B16R3.1720 c1ccc2c(c1)Cc3ccccc3S2 CHEBI:51055 [2,0,0,0,0,0|1,0,1]=4 21 B16R3.1720 c1ccc2c(c1)N=C3C=CC=CC3S2 CHEBI:37933 [2,0,0,0,0,0|1,0,1]=4 22 B16R3.1720 c1ccc2c(c1)N=C3C=CCC=C3S2 CHEBI:37935 [2,0,0,0,0,0|1,0,1]=4 23 B16R3.1720 c1ccc2c(c1)N=C3CC=CC=C3S2 CHEBI:37934 [2,0,0,0,0,0|1,0,1]=4 24 B16R3.1720 c1ccc2c(c1)Nc3ccccc3N2 CHEBI:132008 [2,0,0,0,0,0|1,0,1]=4 25 B16R3.1720 c1ccc2c(c1)Nc3ccccc3S2 CHEBI:37931 [2,0,0,0,0,0|1,0,1]=4 26 B16R3.1720 c1ccc2c(c1)Oc3ccccc3O2 CHEBI:28891 [2,0,0,0,0,0|2,0,0]=4 27 B16R3.1720 c1ccc2c(c1)Sc3ccccc3S2 CHEBI:64511 [2,0,0,0,0,0|2,0,0]=4 28 B16R3.1720 c1ccc2c(c1)cc3ccccc3n2 CHEBI:36420 [2,0,0,0,0,0|0,0,0]=2 29 B16R3.1720 c1ccc2c(c1)nc3ccccc3n2 CHEBI:36674 [2,0,0,0,0,0|1,0,0]=3 30 B16R3.1720 c1ccc2cc3ccccc3cc2c1 CHEBI:35297 [2,0,0,0,0,0|1,0,0]=3 31 B16R3.1720 c1ccc2cc3ccccc3cc2c1 CHEBI:35298 [2,0,0,0,0,0|1,0,0]=3 32 B18R3.3608 c1ccc2c(c1)nc-3cc(c(=O)cc3o2)N CHEBI:17293 [1,1,0,0,0,0|1,0,0]=3 33 B20R3.2191653 CNc1ccc2cc-3cc\c(=N/C)\cc3oc2c1 CHEBI:87347 [0,2,0,0,0,0|1,0,1]=4 34 B20R3.2191653 CNc1ccc2cc-3cc\c(=N/C)\cc3oc2c1 CHEBI:90408 [0,2,0,0,0,0|1,0,1]=4 35 B20R3.2191653 CNc1ccc2cc-3cc\c(=[NH+]/C)\cc3oc2c1 CHEBI:87351 [0,2,0,0,0,0|1,0,1]=4 36 B20R3.2800057 CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N CHEBI:87637 [0,2,0,0,0,0|2,0,0]=4 37 B20R3.2800057 CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N CHEBI:87638 [0,2,0,0,0,0|2,0,0]=4 38 B20R3.19129637 Cc1cc2cc3cc(c(cc3nc2cc1N)N)C CHEBI:51742 [0,2,0,0,0,0|0,0,0]=2 39 B20R3.19129637 Cc1cc2cc3cc(c(cc3nc2cc1N)N)C CHEBI:52789 [0,2,0,0,0,0|0,0,0]=2 40 B16R3.2583 c1ccc2c(c1)c3cc(ccc3o2)O CHEBI:34287 [1,0,0,0,1,0|2,0,0]=4