0 B14R2.6 c1ccc(cc1)Nc2cccnc2 DA-42294 [1,0,0,0,0,0|2,0,0]=3 1 B16R2.120 c1cc(ccc1C(=O)c2ccncc2)O DA-31935 [0,1,0,0,0,0|1,0,0]=2 2 B16R2.120 c1ccc(cc1)C(=O)c2ncc(cn2)Br DA-31885 [0,1,0,0,0,0|2,0,0]=3 3 B16R2.120 c1ccc(cc1)S(=O)c2ccc(nc2)Cl DA-26502 [0,1,0,0,0,0|2,0,0]=3 4 B16R2.120 c1ccc(cc1)S(=O)c2ccc(nc2)N DA-38354 [0,1,0,0,0,0|2,0,0]=3 5 B16R2.236 c1ccc(cc1)C(c2cccc(c2)Cl)Cl DA-29566 [0,1,0,0,0,0|1,0,1]=3 6 B16R2.236 c1ccc(cc1)C(c2cccc(c2)N)O DA-32049 [0,1,0,0,0,0|0,0,2]=3 7 B16R2.3896 c1ccc(c(c1)C(=O)c2ccccn2)N DA-32143 [0,1,0,0,0,0|1,0,0]=2 8 B14R2.114 c1cc(cnc1)C(=O)c2cncs2 DA-44170 [0,0,0,0,1,0|3,0,0]=4 9 B14R2.114 c1ccc(cc1)C(=O)C2=CC=C[CH]2 DA-30509 [0,0,0,0,1,0|0,0,1]=2 10 B14R2.114 c1ccc(cc1)C(=O)N2CC=CC2 DA-32155 [0,0,0,0,1,0|1,0,2]=4 11 B14R2.114 c1ccc(cc1)C(=O)c2cncs2 DA-40583 [0,0,0,0,1,0|2,0,0]=3 12 B16R2.88 c1ccc(cc1)C(Cc2ccncc2)N DA-29107 [0,0,0,0,0,1|2,0,1]=4 13 B16R2.88 c1ccc(cc1)NC(=N)c2ccncc2 DA-43116 [0,0,0,0,0,1|2,0,0]=3 14 B15R2.29 c1cc(ccc1Cc2ccncc2)O DA-22456 [1,1,0,0,0,0|1,0,1]=4 15 B15R2.29 c1ccc(cc1)Nc2ccc(cn2)Br DA-37651 [1,1,0,0,0,0|2,0,0]=4 16 B15R2.29 c1ccc(cc1)Sc2ccc(nc2)N DA-38353 [1,1,0,0,0,0|2,0,0]=4 17 B15R2.31 c1ccc(cc1)Cc2cc[nH]c(=O)c2 DA-42239 [1,1,0,0,0,0|1,0,1]=4 18 B15R2.31 c1ccc(cc1)Cc2cccc(n2)O DA-42777 [1,1,0,0,0,0|1,0,1]=4 19 B15R2.31 c1ccc(cc1)Oc2cc(ccn2)I DA-39307 [1,1,0,0,0,0|2,0,0]=4 20 B15R2.31 c1ccc(cc1)Sc2ccnc(c2)N DA-22137 [1,1,0,0,0,0|2,0,0]=4 21 B15R2.38 c1ccc(cc1)Cc2ccc[nH]c2=O DA-24088 [1,1,0,0,0,0|1,0,1]=4 22 B15R2.38 c1ccc(cc1)Cc2cnccc2N DA-24858 [1,1,0,0,0,0|1,0,1]=4 23 B15R2.38 c1ccc(cc1)Nc2ccc[nH]c2=O DA-24859 [1,1,0,0,0,0|2,0,0]=4 24 B15R2.38 c1ccc(cc1)Oc2ccc[nH]c2=O DA-23257 [1,1,0,0,0,0|2,0,0]=4 25 B15R2.38 c1ccc(cc1)Sc2cccnc2N DA-24856 [1,1,0,0,0,0|2,0,0]=4 26 B15R2.91 c1cc(sc1)C(=O)c2ccc(cc2)Br DA-31953 [0,1,0,0,1,0|1,0,0]=3 27 B17R2.192 c1ccc(cc1)NC(=O)c2ncc(cn2)Br DA-45050 [0,1,0,0,0,1|2,0,0]=4 28 B17R2.192 c1ccnc(c1)NC(=O)c2ccc(cc2)Br DA-44454 [0,1,0,0,0,1|1,0,0]=3 29 B17R2.209 c1cc(ccc1N)NC(=O)c2ccncc2 DA-46191 [0,1,0,0,0,1|1,0,0]=3 30 B17R2.209 c1cc(ncc1Br)NC(=O)c2ccncc2 DA-42843 [0,1,0,0,0,1|2,0,0]=4 31 B17R2.3417 c1ccc(cc1)CC(=O)c2ccccc2Br DA-31448 [0,1,0,0,0,1|0,0,0]=2 32 B17R2.3426 Cc1cccnc1NC(=O)c2ccccc2 DA-43115 [0,1,0,0,0,1|1,0,0]=3 33 B17R2.3426 c1ccc(cc1)C(=O)Nc2ccc[nH]c2=O DA-43108 [0,1,0,0,0,1|1,0,0]=3 34 B17R2.5273 c1ccc(cc1)CC(=O)c2cccc(c2)Br DA-31236 [0,1,0,0,0,1|0,0,0]=2 35 B17R2.5273 c1ccnc(c1)CC(=O)c2ccnc(c2)Br DA-31484 [0,1,0,0,0,1|2,0,0]=4 36 B17R2.5293 c1cc(cc(c1)NC(=O)c2ccncc2)N DA-40692 [0,1,0,0,0,1|1,0,0]=3 37 B17R2.10205 c1ccc(cc1)C(=O)C(=O)c2ccncc2 DA-42644 [0,1,0,0,0,1|1,0,0]=3 38 B17R2.68 COc1ccc(cc1)C(=O)c2cccnc2 DA-43109 [0,2,0,0,0,0|1,0,0]=3 39 B17R2.217 Cc1ccc(cc1)C(=O)c2ccc(cc2)O DA-31937 [0,2,0,0,0,0|0,0,0]=2 40 B17R2.219 Cc1ccc(cc1O)C(=O)c2ccccc2 DA-32028 [0,2,0,0,0,0|0,0,0]=2 41 B17R2.219 c1cc(cnc1)C(=O)c2ccc(c(c2)Cl)Cl DA-41930 [0,2,0,0,0,0|1,0,0]=3 42 B17R2.5362 c1ccc(cc1)C(=O)c2ccc(cc2Br)N DA-31976 [0,2,0,0,0,0|0,0,0]=2 43 B17R2.159 CCNC(c1ccccc1)c2ccccc2 DA-42157 [0,2,0,0,0,0|1,0,1]=4 44 B17R2.3218 c1ccc(cc1)C(=O)c2cc(cc(c2)Br)N DA-32051 [0,2,0,0,0,0|0,0,0]=2 45 B17R2.5356 c1cc(c(cc1Cl)C(=O)c2ccncc2)N DA-32146 [0,2,0,0,0,0|1,0,0]=3 46 B17R2.5356 c1cc(cnc1)C(=O)c2cc(ccc2N)Cl DA-32147 [0,2,0,0,0,0|1,0,0]=3 47 B17R2.5356 c1ccc(cc1)C(=O)c2cc(ccc2Br)N DA-31908 [0,2,0,0,0,0|0,0,0]=2 48 B17R2.5356 c1ccc(cc1)C(=O)c2cc(ccc2Cl)Br DA-31890 [0,2,0,0,0,0|0,0,0]=2 49 B17R2.5356 c1ccc(cc1)C(c2cc(ccc2N)Cl)N DA-27935 [0,2,0,0,0,0|1,0,1]=4 50 B17R2.5268 c1ccc(cc1)C(=O)c2c(ccnc2Cl)Br DA-32014 [0,2,0,0,0,0|1,0,0]=3 51 B15R3.3 c1ccc2c(c1)c3cccnc3[nH]2 DA-35372 [1,0,0,1,0,0|2,0,0]=4 52 B15R3.173 c1ccc2c(c1)-c3cscc3C2=O DA-43132 [0,0,0,1,1,0|1,0,0]=3 53 B17R3.8708 c1ccc(cc1)C2Cc3ccccc3N2 DA-25699 [0,0,0,1,0,1|1,0,1]=4 54 B17R3.8708 c1ccc(cc1)c2nc3c(o2)cccn3 DA-25694 [0,0,0,1,0,1|1,0,1]=4 55 B17R3.8708 c1ccc(cc1)c2nc3cccnc3o2 DA-25691 [0,0,0,1,0,1|1,0,1]=4 56 B17R3.8708 c1ccc(cc1)c2nc3ccncc3o2 DA-25690 [0,0,0,1,0,1|1,0,1]=4 57 B17R3.8708 c1ccc(cc1)c2nc3cnccc3o2 DA-25693 [0,0,0,1,0,1|1,0,1]=4 58 B17R3.8 c1ccc(cc1)c2cnn3c2cccc3 DA-25526 [0,1,0,1,0,0|2,0,0]=4 59 B17R3.182920 c1ccc2c(c1)-c3ccccc3C2C#N DA-35373 [0,1,0,1,0,0|1,0,1]=4 60 B17R3.4408 c1ccc2c(c1)-c3c(cccc3I)C2=O DA-39290 [0,1,0,1,0,0|0,0,0]=2 61 B17R3.221899 CC1(c2ccccc2-c3c1cccc3)O DA-35408 [0,1,0,1,0,0|0,0,2]=4 62 B13R2.64 c1ccc(cc1)Nn2cccc2 DA-41555 [1,0,0,0,1,0|2,0,0]=4 63 B15R2.64 c1cc(oc1)C(=O)Cc2ccncc2 DA-48506 [0,0,0,0,1,1|2,0,0]=4 64 B15R2.64 c1ccc(cc1)NC(=O)c2cnc[nH]2 DA-46050 [0,0,0,0,1,1|2,0,0]=4 65 B17R2.143 c1ccc(cc1)OC(=O)Nc2ccccn2 DA-43292 [0,0,0,0,0,2|1,0,0]=3 66 B17R2.143 c1ccc(cc1)OC(=O)Nc2cccnn2 DA-48336 [0,0,0,0,0,2|2,0,0]=4 67 B17R2.143 c1ccc(cc1)OC(=O)Nc2ccncn2 DA-40639 [0,0,0,0,0,2|2,0,0]=4 68 B17R2.2342 c1ccc(cc1)C#CC(c2ccccc2)O DA-43465 [0,0,0,0,0,2|0,0,2]=4 69 B17R2.2342 c1ccc(cc1)CNC(=N)c2ccccc2 DA-44017 [0,0,0,0,0,2|1,0,0]=3 70 B17R2.2342 c1ccc(cc1)NNC(=O)c2ccncc2 DA-40595 [0,0,0,0,0,2|1,0,0]=3