0 B19R2.8898 C\C(=N/N=C(/c1ccccc1)\C)\c2ccccc2 1P003O44 [0,0,0,0,0,0|4,0,0]=4 1 B19R2.8898 Cl\C(=N/N=C(/c1ccccc1)\Cl)\c2ccccc2 1P00FHYF [0,0,0,0,0,0|4,0,0]=4 2 B19R2.8898 N[C@H](c1ccccc1)COC(=O)c2ccccc2 1P028YAR [0,0,0,0,0,0|2,0,1]=3 3 B19R2.8898 O=C(c1ccccc1)CCC(=O)c2ccccc2 1P00331A [0,0,0,0,0,0|2,0,0]=2 4 B19R2.8898 O=C(c1ccccc1)CNC(=O)c2ccccc2 1P00BY80 [0,0,0,0,0,0|2,0,0]=2 5 B19R2.8898 O=C(c1ccccc1)NNC(=O)c2ccccc2 1P003SZ3 [0,0,0,0,0,0|2,0,0]=2 6 B19R2.8898 O=C(c1ccccc1)NSC(=O)c2ccccc2 1P009DNC [0,0,0,0,0,0|1,1,0]=2 7 B19R2.8898 O=C(c1ccccc1)SSC(=O)c2ccccc2 1P00ET64 [0,0,0,0,0,0|0,2,0]=2 8 B19R2.8898 O=C(c1ccccc1)\C=C\C(=O)c2ccccc2 1P003VBM [0,0,0,0,0,0|2,0,0]=2 9 B19R2.8898 O=C(c1ccncc1)NNC(=O)c2ccncc2 1P00D8JK [0,0,0,0,0,0|4,0,0]=4 10 B19R2.8898 O=S(c1ccccc1)CCS(=O)c2ccccc2 1P003313 [0,0,0,0,0,0|4,0,0]=4 11 B19R2.8898 O=S(c1ccccc1)CCS(=O)c2ccccc2 1P003DTB [0,0,0,0,0,0|4,0,0]=4 12 B19R2.8898 S=C(c1ccccc1)SSC(=S)c2ccccc2 1P00EF8G [0,0,0,0,0,0|0,4,0]=4 13 B18R2.7189 O=C(c1ccccc1)CCCc2ccccc2 1P003E5Q [1,0,0,0,0,0|2,0,1]=4 14 B18R2.7189 O=C(c1ccccc1)COCc2ccccc2 1P02859A [1,0,0,0,0,0|1,0,1]=3 15 B18R2.7189 O=C(c1ccccc1)NCCc2ccccc2 1P00C660 [1,0,0,0,0,0|2,0,1]=4 16 B18R2.7189 O=C(c1ccccc1)OCCc2ccccc2 1P00IIDI [1,0,0,0,0,0|1,0,1]=3 17 B20R2.15243 Nc1ccc(cc1)C(=O)OCC(=O)c2ccccc2 1P01AQG7 [0,1,0,0,0,0|1,0,0]=2 18 B18R2.3634 CC(c1ccccc1)CC(=O)c2ccccc2 1P003E1K [0,0,0,0,1,0|2,0,1]=4 19 B18R2.3634 CN(c1ccccc1)NC(=O)c2ccccc2 1P01FE4J [0,0,0,0,1,0|3,0,0]=4 20 B18R2.3634 O=C(c1ccccc1)CC(=O)c2ccccc2 1P000QHK [0,0,0,0,1,0|1,0,0]=2 21 B18R2.3634 O=C(c1ccccc1)NC(=O)c2ccccc2 1P00EJDM [0,0,0,0,1,0|1,0,0]=2 22 B18R2.3634 O=C(c1ccccc1)OC(=O)c2ccccc2 1P0034YO [0,0,0,0,1,0|0,0,0]=1 23 B18R2.3634 O=C(c1ccccn1)CC(=O)c2ccccn2 1P0006MW [0,0,0,0,1,0|3,0,0]=4 24 B18R2.3634 O=C(c1cccnc1)OC(=O)c2cccnc2 1P0035UP [0,0,0,0,1,0|2,0,0]=3 25 B18R2.3634 O=C(c1ccncc1)CC(=O)c2ccncc2 1P00CMVI [0,0,0,0,1,0|3,0,0]=4 26 B18R2.3634 O=[Se](c1ccccc1)O[Se](=O)c2ccccc2 1P0025HW [0,0,0,0,1,0|2,0,0]=3 27 B18R2.3634 [O-]\C(=C\C(=O)c1ccccc1)\c2ccccc2 1P001JBE [0,0,0,0,1,0|1,0,1]=3 28 B20R2.10809 O=C(Nc1ccccc1)NNC(=O)c2ccccc2 1P000GVQ [0,0,0,0,0,1|2,0,0]=3 29 B20R2.10826 O=C(c1ccccc1)CCCC(=O)c2ccccc2 1P003E7A [0,0,0,0,0,1|2,0,0]=3 30 B20R2.10826 O=C(c1ccccc1)CSCC(=O)c2ccccc2 1P002P8N [0,0,0,0,0,1|1,1,0]=3 31 B20R2.10826 O=C(c1ccccn1)O[Zn]OC(=O)c2ccccn2 1P0027HR [0,0,0,0,0,1|2,0,0]=3 32 B17R2.2382 C(=C/c1ccccc1)\C=C\c2ccccc2 1P003664 [2,0,0,0,0,0|2,0,0]=4 33 B17R2.2382 C(=Cc1ccccc1)C=Cc2ccccc2 1P003VB9 [2,0,0,0,0,0|2,0,0]=4 34 B17R2.2382 c1ccc(cc1)C=N\N=C\c2ccccc2 1P003OH2 [2,0,0,0,0,0|2,0,0]=4 35 B17R2.2382 c1ccc(cc1)\C=N\N=C\c2ccccc2 1P00BCGM [2,0,0,0,0,0|2,0,0]=4 36 B19R2.4201 Fc1ccc(cc1)C(=O)COCc2ccccc2 1P01A2YE [1,1,0,0,0,0|1,0,1]=4 37 B19R2.4481 O=C(c1ccccc1)N\N=C\c2ccccc2O 1P00C01E [1,1,0,0,0,0|2,0,0]=4 38 B19R2.5666 O=C(c1ccccc1F)COCc2ccccc2 1P01DLUG [1,1,0,0,0,0|1,0,1]=4 39 B19R2.5666 O=C(c1ccccc1O)OCCc2ccccc2 1P003U4S [1,1,0,0,0,0|1,0,1]=4 40 B19R2.4362 Brc1cccc(c1)C(=O)CC(=O)c2ccccc2 1P01JLW8 [0,1,0,0,1,0|1,0,0]=3 41 B19R2.5647 O=C(c1ccccc1)CC(=O)c2ccccc2O 1P001EW1 [0,1,0,0,1,0|1,0,0]=3 42 B19R2.8901 O=C(c1ccccc1)CS(=O)(=O)c2ccccc2 1P003FKP [0,1,0,0,1,0|2,0,0]=4 43 B19R2.8901 O=C(c1ccccc1)NS(=O)(=O)c2ccccc2 1P01YRVQ [0,1,0,0,1,0|2,0,0]=4 44 B19R2.12286 Brc1ccc(cc1)C(=O)CC(=O)c2ccccc2 1P01AH1C [0,1,0,0,1,0|1,0,0]=3 45 B19R2.21040 BrC(C(=O)c1ccccc1)C(=O)c2ccccc2 1P003H2N [0,1,0,0,1,0|1,0,0]=3 46 B19R2.21040 CC(C(=O)c1ccccc1)C(=O)c2ccccc2 1P028I3N [0,1,0,0,1,0|1,0,0]=3 47 B19R2.21040 O=C(C(=O)c1ccccc1)C(=O)c2ccccc2 1P003E1Q [0,1,0,0,1,0|1,0,0]=3 48 B21R2.93772 CC(CC(=O)c1ccccc1)CC(=O)c2ccccc2 1P0017ZT [0,1,0,0,0,1|2,0,0]=4 49 B21R2.93772 O=C(CC(=O)c1ccccc1)CC(=O)c2ccccc2 1P001EQ1 [0,1,0,0,0,1|2,0,0]=4 50 B21R2.19410 O=C(c1ccc(cc1)Br)OOC(=O)c2ccc(cc2)Br 1P007UO8 [0,2,0,0,0,0|0,0,0]=2 51 B19R3.27 c1ccc(cc1)c2onc(n2)c3ccccc3 1P008B1K [1,0,0,1,0,0|2,0,0]=4 52 B19R3.9008 O=c1[nH]nc(c2c1cccc2)c3ccccc3 1P003MFO [1,0,0,1,0,0|2,0,0]=4 53 B19R3.17443 O=C1O\C(=C/c2ccccc2)\c3c1cccc3 1P00IAPM [1,0,0,1,0,0|1,0,0]=3 54 B19R3.22113 O=C(C1OC1c2ccccc2)c3ccccc3 1P003P8F [1,0,0,1,0,0|1,0,1]=4 55 B19R3.22113 O=C([C@@H]1O[C@H]1c2ccccc2)c3ccccc3 1P01B66A [1,0,0,1,0,0|1,0,1]=4 56 B19R3.9171 O=c1[nH]c(nc2c1cccc2)c3ccccc3 1P0007CS [0,0,0,1,1,0|2,0,0]=4 57 B19R3.9171 O=c1cc(oc2c1cccc2)c3ccccc3 1P003R25 [0,0,0,1,1,0|1,0,1]=4 58 B19R3.9171 O=c1oc(nc2c1cccc2)c3ccccc3 1P0007CR [0,0,0,1,1,0|1,0,0]=3 59 B19R3.2937660 O=c1oc(=O)c2c(c3c1cccc3)cccc2 1P00358N [0,0,0,1,1,0|0,0,0]=2 60 B21R3.3619379 O=Cc1cn(c2c1cccc2)C(=O)c3ccccc3 1P007MCX [0,1,0,1,0,0|2,0,0]=4 61 B21R3.444254 O=C(c1cc2ccccc2c(=O)o1)c3ccccc3 1P028B9R [0,1,0,1,0,0|1,0,0]=3 62 B17R2.2342 O=C(c1ccccc1)C#Cc2ccccc2 1P006114 [1,0,0,0,1,0|1,0,1]=4 63 B17R2.2342 O=C(c1ccccc1)C=Cc2ccccc2 1P003P8E [1,0,0,0,1,0|1,0,0]=3 64 B17R2.2342 O=C(c1ccccc1)CCc2ccccc2 1P003ON6 [1,0,0,0,1,0|1,0,1]=4 65 B17R2.2342 O=C(c1ccccc1)COc2ccccc2 1P00FEPY [1,0,0,0,1,0|1,0,0]=3 66 B17R2.2342 O=C(c1ccccc1)NCc2ccccc2 1P001LG6 [1,0,0,0,1,0|1,0,1]=4 67 B17R2.2342 O=C(c1ccccc1)OCc2ccccc2 1P000QHH [1,0,0,0,1,0|0,0,1]=3 68 B17R2.2342 O=C(c1ccccc1)\C=C\c2ccccc2 1P003VFH [1,0,0,0,1,0|1,0,0]=3 69 B17R2.2342 O=C(c1ccccn1)\C=C\c2ccccc2 1P00IY9M [1,0,0,0,1,0|2,0,0]=4 70 B17R2.2342 O=C(c1cccnc1)OCc2ccccc2 1P00GROH [1,0,0,0,1,0|1,0,1]=4 71 B17R2.2342 O=S(c1ccccc1)OCc2ccccc2 1P01FG0H [1,0,0,0,1,0|1,0,1]=4 72 B17R2.10205 BrC(C(=O)c1ccccc1)c2ccccc2 1P001LDE [0,0,0,0,2,0|1,0,1]=4 73 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 1P00B4XM [0,0,0,0,2,0|2,0,0]=4 74 B17R2.10205 ClC(C(=O)c1ccccc1)c2ccccc2 1P003PQG [0,0,0,0,2,0|1,0,1]=4 75 B17R2.10205 NC(C(=O)c1ccccc1)c2ccccc2 1P004E2I [0,0,0,0,2,0|1,0,1]=4 76 B17R2.10205 O=C(C(=O)c1ccccc1)c2ccccc2 1P00HTL7 [0,0,0,0,2,0|0,0,0]=2 77 B17R2.10205 O=C(C(=O)c1ccccn1)c2ccccn2 1P003FQ3 [0,0,0,0,2,0|2,0,0]=4 78 B17R2.10205 OC(C(=O)c1ccccc1)c2ccccc2 1P007FC1 [0,0,0,0,2,0|0,0,2]=4 79 B17R2.10205 OC(C(=O)c1ccccc1)c2ccccc2 1P00HFBS [0,0,0,0,2,0|0,0,2]=4 80 B17R2.10205 ON(C(=O)c1ccccc1)c2ccccc2 1P0030GI [0,0,0,0,2,0|1,0,1]=4 81 B17R2.10205 S=C(C(=S)c1ccccc1)c2ccccc2 1P003ORJ [0,0,0,0,2,0|0,2,0]=4 82 B19R2.8899 O=C(c1ccccc1)C=CC=Cc2ccccc2 1P003PDN [1,0,0,0,0,1|2,0,0]=4 83 B19R2.8900 O=C(Cc1ccccc1)OCCc2ccccc2 1P0006OL [1,0,0,0,0,1|1,0,1]=4 84 B21R2.13163 O=C(Cc1ccccc1)SSC(=O)Cc2ccccc2 1P001NDR [0,0,0,0,0,2|0,2,0]=4 85 B21R2.27923 O=C(COC(=O)c1ccccc1)OCc2ccccc2 1P006VUF [0,0,0,0,0,2|1,0,0]=3 86 B21R2.13150 O=C(c1ccccc1)CCCCC(=O)c2ccccc2 1P003E4G [0,0,0,0,0,2|2,0,0]=4 87 B21R2.13150 O=C(c1ccccc1)NCCNC(=O)c2ccccc2 1P00EET0 [0,0,0,0,0,2|2,0,0]=4 88 B21R2.13150 O=C(c1ccccc1)OCCOC(=O)c2ccccc2 1P003QZ2 [0,0,0,0,0,2|0,0,0]=2 89 B21R2.13150 O=C(c1ccncc1)OCCOC(=O)c2ccncc2 1P01F828 [0,0,0,0,0,2|2,0,0]=4