0 B15R2.2226 c1ccc(cc1)C(=O)c2ccccc2 CHEBI:41308 [0,0,0,0,0,0|0,0,0]=0 1 B14R2.6 c1ccc(cc1)Cc2ccccc2 CHEBI:38884 [1,0,0,0,0,0|0,0,1]=2 2 B14R2.6 c1ccc(cc1)Nc2ccccc2 CHEBI:4640 [1,0,0,0,0,0|1,0,0]=2 3 B14R2.6 c1ccc(cc1)Oc2ccccc2 CHEBI:39258 [1,0,0,0,0,0|1,0,0]=2 4 B14R2.6 c1ccc(cc1)Sc2ccccc2 CHEBI:38959 [1,0,0,0,0,0|1,0,0]=2 5 B14R2.6 c1ccc(cc1)[SnH2]c2ccccc2 CHEBI:23838 [1,0,0,0,0,0|1,0,0]=2 6 B14R2.6 c1ccc(cc1)[Zn]c2ccccc2 CHEBI:51499 [1,0,0,0,0,0|1,0,0]=2 7 B16R2.2945 c1ccc(cc1)P(=N)(c2ccccc2)N CHEBI:37833 [0,1,0,0,0,0|2,0,0]=3 8 B16R2.2945 c1ccc(cc1)P(=O)(c2ccccc2)O CHEBI:37832 [0,1,0,0,0,0|1,0,0]=2 9 B16R2.2945 c1ccc(cc1)S(=O)(=O)c2ccccc2 CHEBI:78360 [0,1,0,0,0,0|1,0,0]=2 10 B16R3.20606 [Li]C1c2ccccc2-c3c1cccc3 CHEBI:51471 [0,0,0,1,0,0|1,0,1]=3 11 B16R3.20606 c1ccc2c(c1)-c3ccccc3C2=O CHEBI:17922 [0,0,0,1,0,0|0,0,0]=1 12 B16R3.20606 c1ccc2c(c1)-c3ccccc3C2O CHEBI:16904 [0,0,0,1,0,0|0,0,2]=3 13 B16R3.20606 c1ccc2c(c1)c3ccccc3s2=O CHEBI:23683 [0,0,0,1,0,0|1,0,0]=2 14 B14R2.114 c1ccc(cc1)C(=O)c2c[nH]nc2 CHEBI:38980 [0,0,0,0,1,0|2,0,0]=3 15 B16R2.88 CC(Cc1ccccc1)c2ccccc2 CHEBI:87382 [0,0,0,0,0,1|1,0,1]=3 16 B16R2.88 c1ccc(cc1)C(=O)Oc2ccccc2 CHEBI:86919 [0,0,0,0,0,1|0,0,0]=1 17 B16R2.88 c1ccc(cc1)\N=[N+](/c2ccccc2)\[O-] CHEBI:51868 [0,0,0,0,0,1|1,0,1]=3 18 B16R2.88 c1ccc(cc1)\N=[N+](\c2ccccc2)/[O-] CHEBI:51865 [0,0,0,0,0,1|1,0,1]=3 19 B16R2.88 c1ccc(cc1)\N=[N+](\c2ccccc2)/[O-] CHEBI:51866 [0,0,0,0,0,1|1,0,1]=3 20 B15R2.29 c1ccc(cc1)Nc2ccc(cc2)N CHEBI:59038 [1,1,0,0,0,0|1,0,0]=3 21 B15R2.29 c1ccc(cc1)Oc2ccc(cc2)Br CHEBI:77421 [1,1,0,0,0,0|1,0,0]=3 22 B15R2.29 c1ccc(cc1)Oc2ccc(cc2)O CHEBI:39264 [1,1,0,0,0,0|1,0,0]=3 23 B15R2.31 c1ccc(cc1)Oc2cccc(c2)O CHEBI:39263 [1,1,0,0,0,0|1,0,0]=3 24 B15R2.38 c1ccc(cc1)Oc2ccccc2O CHEBI:39261 [1,1,0,0,0,0|1,0,0]=3 25 B17R2.209 Cn1ccc(=NC(=O)c2ccccc2)cc1 CHEBI:51522 [0,1,0,0,0,1|1,0,0]=3 26 B17R2.3417 c1ccc(cc1)NC(=O)c2ccccc2I CHEBI:82052 [0,1,0,0,0,1|0,0,0]=2 27 B17R2.3417 c1ccc(cc1)NC(=O)c2ccccc2O CHEBI:239133 [0,1,0,0,0,1|0,0,0]=2 28 B17R2.3417 c1ccc(cc1)OC(=O)c2ccccc2O CHEBI:34918 [0,1,0,0,0,1|0,0,0]=2 29 B17R2.10205 c1ccc(cc1)C(=O)C(=O)c2ccccc2 CHEBI:51507 [0,1,0,0,0,1|0,0,0]=2 30 B17R2.10205 c1ccc(cc1)C(C(=O)c2ccccc2)O CHEBI:17682 [0,1,0,0,0,1|0,0,0]=2 31 B17R2.10205 c1ccc(cc1)C(C(c2ccccc2)O)O CHEBI:50013 [0,1,0,0,0,1|0,0,2]=4 32 B17R2.10205 c1ccc(cc1)[C@@H](C(=O)c2ccccc2)O CHEBI:51510 [0,1,0,0,0,1|0,0,0]=2 33 B17R2.10205 c1ccc(cc1)[C@H](C(=O)c2ccccc2)O CHEBI:51509 [0,1,0,0,0,1|0,0,0]=2 34 B17R2.10205 c1ccc(cc1)[C@H]([C@@H](c2ccccc2)O)O CHEBI:50014 [0,1,0,0,0,1|0,0,2]=4 35 B17R2.10205 c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)O CHEBI:50015 [0,1,0,0,0,1|0,0,2]=4 36 B17R2.5711 c1ccc(cc1)C(c2ccccc2)C(=O)O CHEBI:41967 [0,2,0,0,0,0|0,0,1]=3 37 B15R3.3 c1ccc-2c(c1)Cc3c2cccc3 CHEBI:28266 [1,0,0,1,0,0|0,0,1]=3 38 B15R3.3 c1ccc2=NC3C=CC=CC3=c2c1 CHEBI:36425 [1,0,0,1,0,0|1,0,1]=4 39 B15R3.3 c1ccc2c(c1)-c3ccccc3[I+]2 CHEBI:77967 [1,0,0,1,0,0|1,0,0]=3 40 B15R3.3 c1ccc2c(c1)-c3ccccc3[I+]2 CHEBI:77986 [1,0,0,1,0,0|1,0,0]=3 41 B15R3.3 c1ccc2c(c1)C3=CC=CCC3=N2 CHEBI:36423 [1,0,0,1,0,0|1,0,1]=4 42 B15R3.3 c1ccc2c(c1)C3=CCC=CC3=N2 CHEBI:36422 [1,0,0,1,0,0|1,0,1]=4 43 B15R3.3 c1ccc2c(c1)C3C=CC=CC3=N2 CHEBI:36424 [1,0,0,1,0,0|1,0,1]=4 44 B15R3.3 c1ccc2c(c1)c3ccccc3[nH]2 CHEBI:27543 [1,0,0,1,0,0|1,0,0]=3 45 B15R3.3 c1ccc2c(c1)c3ccccc3o2 CHEBI:28145 [1,0,0,1,0,0|1,0,0]=3 46 B15R3.3 c1ccc2c(c1)c3ccccc3s2 CHEBI:23681 [1,0,0,1,0,0|1,0,0]=3 47 B15R3.3 c1ccc2c(c1)c3ccncc3[nH]2 CHEBI:109895 [1,0,0,1,0,0|2,0,0]=4 48 B17R3.1927 c1ccc(cc1)C2C(O2)c3ccccc3 CHEBI:50006 [0,0,0,1,0,1|0,0,2]=4 49 B17R3.1927 c1ccc(cc1)[C@@H]2[C@@H](O2)c3ccccc3 CHEBI:50004 [0,0,0,1,0,1|0,0,2]=4 50 B17R3.1927 c1ccc(cc1)[C@@H]2[C@H](O2)c3ccccc3 CHEBI:50008 [0,0,0,1,0,1|0,0,2]=4 51 B17R3.1927 c1ccc(cc1)[C@H]2[C@@H](O2)c3ccccc3 CHEBI:50009 [0,0,0,1,0,1|0,0,2]=4 52 B17R3.8708 c1ccc2c(c1)cc(o2)c3ccncc3 CHEBI:34377 [0,0,0,1,0,1|1,0,1]=4 53 B17R3.54615 c1ccc2c(c1)c3ccccc3[nH]c2=O CHEBI:75292 [0,0,0,1,0,1|0,0,0]=2 54 B17R3.54615 c1ccc2c(c1)c3ccccc3oc2=O CHEBI:86511 [0,0,0,1,0,1|0,0,0]=2 55 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)N CHEBI:50475 [0,0,0,1,0,1|1,0,0]=3 56 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)O CHEBI:28820 [0,0,0,1,0,1|0,0,1]=3 57 B17R3.221899 c1ccc2c(c1)-c3ccccc3S2(=O)=O CHEBI:90356 [0,1,0,1,0,0|1,0,0]=3 58 B17R3.35227 C[n+]1c2ccccc2nc3c1cccc3 CHEBI:8055 [0,1,0,1,0,0|2,0,0]=4 59 B17R3.35227 [B]c1c2ccccc2cc3c1cccc3 CHEBI:38992 [0,1,0,1,0,0|1,0,0]=3 60 B17R3.35227 c1ccc2c(c1)Cc3ccccc3C2=O CHEBI:33835 [0,1,0,1,0,0|0,0,0]=2 61 B17R3.35227 c1ccc2c(c1)c(=O)c3ccccc3[nH]2 CHEBI:50756 [0,1,0,1,0,0|0,0,0]=2 62 B17R3.35227 c1ccc2c(c1)c(=O)c3ccccc3o2 CHEBI:37647 [0,1,0,1,0,0|0,0,0]=2 63 B17R3.35227 c1ccc2c(c1)c(c3ccccc3[nH+]2)N CHEBI:74835 [0,1,0,1,0,0|1,0,0]=3 64 B17R3.35227 c1ccc2c(c1)c(c3ccccc3n2)N CHEBI:74789 [0,1,0,1,0,0|1,0,0]=3 65 B17R3.35227 c1ccc2c(c1)c(c3ccccc3n2)N CHEBI:74837 [0,1,0,1,0,0|1,0,0]=3 66 B17R3.35227 c1ccc2c(c1)cc3ccccc3c2N CHEBI:50472 [0,1,0,1,0,0|1,0,0]=3 67 B17R3.35227 c1ccc2c(c1)cc3ccccc3c2O CHEBI:40753 [0,1,0,1,0,0|0,0,1]=3 68 B13R2.3 c1ccc(cc1)c2ccccc2 CHEBI:17097 [1,0,0,0,1,0|0,0,0]=2 69 B13R2.3 c1ccc(cc1)c2ccncn2 CHEBI:90622 [1,0,0,0,1,0|2,0,0]=4 70 B13R2.3 c1ccnc(c1)c2ccccn2 CHEBI:30351 [1,0,0,0,1,0|2,0,0]=4 71 B13R2.3 c1cnccc1c2ccncc2 CHEBI:30985 [1,0,0,0,1,0|2,0,0]=4 72 B15R2.2195 c1ccc(cc1)C#Cc2ccccc2 CHEBI:51579 [1,0,0,0,0,1|0,0,1]=3 73 B15R2.2195 c1ccc(cc1)CCc2ccccc2 CHEBI:34047 [1,0,0,0,0,1|0,0,1]=3 74 B15R2.2195 c1ccc(cc1)\C=C/c2ccccc2 CHEBI:36008 [1,0,0,0,0,1|0,0,0]=2 75 B15R2.2195 c1ccc(cc1)\C=C\c2ccccc2 CHEBI:26775 [1,0,0,0,0,1|0,0,0]=2 76 B15R2.2195 c1ccc(cc1)\C=C\c2ccccc2 CHEBI:36007 [1,0,0,0,0,1|0,0,0]=2 77 B15R2.2195 c1ccc(cc1)\N=N/c2ccccc2 CHEBI:58997 [1,0,0,0,0,1|1,0,0]=3 78 B15R2.2195 c1ccc(cc1)\N=N\c2ccccc2 CHEBI:190358 [1,0,0,0,0,1|1,0,0]=3 79 B15R2.2195 c1ccc(cc1)\N=N\c2ccccc2 CHEBI:58996 [1,0,0,0,0,1|1,0,0]=3 80 B17R2.143 c1ccc(cc1)NC(=O)Nc2ccccc2 CHEBI:41320 [0,0,0,0,0,2|0,0,0]=2 81 B17R2.143 c1ccc(cc1)OC(=O)Oc2ccccc2 CHEBI:34722 [0,0,0,0,0,2|0,0,0]=2 82 B17R2.2342 c1ccc(cc1)C(=O)COc2ccccc2 CHEBI:52401 [0,0,0,0,0,2|0,0,0]=2 83 B17R2.2342 c1ccc(cc1)CCC(=O)c2ccccc2 CHEBI:71231 [0,0,0,0,0,2|0,0,0]=2 84 B17R2.2342 c1ccc(cc1)COC(=O)c2ccccc2 CHEBI:41237 [0,0,0,0,0,2|0,0,0]=2 85 B17R2.2342 c1ccc(cc1)COC(=O)c2cccnc2 CHEBI:31268 [0,0,0,0,0,2|1,0,0]=3 86 B17R2.2342 c1ccc(cc1)\C=C/C(=O)c2ccccc2 CHEBI:48966 [0,0,0,0,0,2|0,0,0]=2 87 B17R2.2342 c1ccc(cc1)\C=C\C(=O)c2ccccc2 CHEBI:27618 [0,0,0,0,0,2|0,0,0]=2 88 B17R2.2342 c1ccc(cc1)\C=C\C(=O)c2ccccc2 CHEBI:48965 [0,0,0,0,0,2|0,0,0]=2