0 B19R3.9171 O=C1NC(Nc2c1cccc2)c3ccccc3 CSC000590073 [0,0,0,0,0,0|2,0,1]=3 1 B19R3.9171 O=C1NC(Nc2c1cccc2)c3cccnc3 CSC046124055 [0,0,0,0,0,0|3,0,1]=4 2 B19R3.9171 O=c1[nH]c(nc2c1cccc2)c3ccccc3 CSC020670665 [0,0,0,0,0,0|2,0,0]=2 3 B19R3.9171 O=c1[nH]c(nc2c1cccc2)c3cccnc3 CSC046267311 [0,0,0,0,0,0|3,0,0]=3 4 B19R3.9171 O=c1[nH]c(nc2c1cccc2)c3ccncc3 CSC046140020 [0,0,0,0,0,0|3,0,0]=3 5 B20R3.19283 Cc1ccc(cc1)c2nc3ccccc3c(=O)[nH]2 CSC025705242 [0,1,0,0,0,0|2,0,0]=3 6 B20R3.19283 Clc1ccc(cc1)c2nc3ccccc3c(=O)[nH]2 CSC025705241 [0,1,0,0,0,0|2,0,0]=3 7 B20R3.19283 Fc1ccc(cc1)C2NC(=O)c3ccccc3N2 CSC020586059 [0,1,0,0,0,0|2,0,1]=4 8 B20R3.19283 Fc1ccc(cc1)c2nc3ccccc3c(=O)[nH]2 CSC046162198 [0,1,0,0,0,0|2,0,0]=3 9 B20R3.19283 Oc1ccc(cc1)C2NC(=O)c3ccccc3N2 CSC046267912 [0,1,0,0,0,0|2,0,1]=4 10 B20R3.96524 CN1C(Nc2ccccc2C1=O)c3ccccc3 CSC000610383 [0,1,0,0,0,0|2,0,1]=4 11 B20R3.259727 O=c1[nH]n(c(=O)c2c1cccc2)c3ccccc3 CSC046194869 [0,1,0,0,0,0|3,0,0]=4 12 B20R3.263189 Brc1ccc2nc([nH]c(=O)c2c1)c3ccccc3 CSC025705406 [0,1,0,0,0,0|2,0,0]=3 13 B18R2.3067 COc1ccccc1OC(=O)c2ccccc2 CSC012496422 [0,0,1,0,0,0|3,0,0]=4 14 B18R2.3634 CC(OC(=O)c1ccccc1)c2ccccc2 CSC046242566 [0,0,1,0,0,0|2,0,1]=4 15 B18R2.3634 CN(NC(=O)c1ccccc1)c2ccccc2 CSC046209907 [0,0,1,0,0,0|3,0,0]=4 16 B18R2.3634 C[C@@H](NC(=O)c1ccccc1)c2ccccc2 CSC003441140 [0,0,1,0,0,0|2,0,1]=4 17 B18R2.4001 Brc1ccccc1C(=O)NNc2ccccc2 CSC046216223 [0,0,1,0,0,0|3,0,0]=4 18 B18R2.4001 Clc1ccccc1C(=O)NNc2ccccc2 CSC046227863 [0,0,1,0,0,0|3,0,0]=4 19 B18R2.4001 Clc1ccccc1C(=O)OCc2ccccc2 CSC000000716 [0,0,1,0,0,0|2,0,1]=4 20 B18R2.4001 Fc1ccccc1C(=O)NCc2ccccc2 CSC000153152 [0,0,1,0,0,0|2,0,1]=4 21 B18R2.4001 Fc1ccccc1C(=O)OCc2ccccc2 CSC000150785 [0,0,1,0,0,0|2,0,1]=4 22 B18R2.4001 Ic1ccccc1C(=O)NNc2ccccc2 CSC046770442 [0,0,1,0,0,0|3,0,0]=4 23 B18R2.4001 Oc1ccccc1C(=O)NCc2ccccn2 CSC000581538 [0,0,1,0,0,0|2,0,1]=4 24 B18R2.7138 NC(=O)c1ccccc1CCc2ccccc2 CSC046221432 [0,0,1,0,0,0|2,0,1]=4 25 B18R2.7138 [O-][N+](=O)c1ccccc1OCc2ccccc2 CSC000000801 [0,0,1,0,0,0|2,0,1]=4 26 B18R2.123715 C=CCNC(=O)c1cc(=O)c2ccccc2o1 CSC044571489 [0,0,1,0,0,0|2,0,1]=4 27 B18R2.123715 C=CCOC(=O)c1cc(=O)c2ccccc2o1 CSC048122039 [0,0,1,0,0,0|2,0,1]=4 28 B18R3.111 Cn1c(nc2c1cccc2)c3ccccc3 CSC000011584 [0,0,0,0,1,0|3,0,0]=4 29 B20R3.13449 O=c1[nH]c(nc2c1cccc2)Cc3ccccc3 CSC025712866 [0,0,0,0,0,1|2,0,0]=3 30 B20R3.13449 O=c1[nH]c(nc2c1cccc2)Nc3ccccc3 CSC046141083 [0,0,0,0,0,1|2,0,0]=3 31 B17R2.3426 Cc1ccccc1OC(=O)c2ccccc2 CSC000001920 [1,0,1,0,0,0|1,0,1]=4 32 B17R2.2342 O=C(C=Cc1ccccc1)c2ccncc2 CSC020760964 [1,0,1,0,0,0|1,0,0]=3 33 B17R2.2342 O=C(C=Cc1cccnc1)c2cccnc2 CSC020760960 [1,0,1,0,0,0|2,0,0]=4 34 B17R2.2342 O=C(CSc1ccccc1)c2ccccc2 CSC000150728 [1,0,1,0,0,0|1,0,1]=4 35 B17R2.2342 O=C(NNc1ccccc1)c2ccccc2 CSC000001589 [1,0,1,0,0,0|2,0,0]=4 36 B17R2.3956 Oc1ccccc1C=NCc2ccccc2 CSC020645287 [1,0,1,0,0,0|1,0,1]=4 37 B19R2.3421 COc1ccccc1C(=O)NCc2ccccc2 CSC000153131 [0,1,1,0,0,0|1,0,1]=4 38 B19R2.4553 Oc1ccc(c(c1)C(=O)OCc2ccccc2)O CSC009832007 [0,1,1,0,0,0|1,0,1]=4 39 B19R2.7525 CC(=O)c1ccccc1OCc2ccccc2C CSC000578499 [0,1,1,0,0,0|0,0,2]=4 40 B19R2.7525 NC(=O)c1ccccc1OCc2ccccc2Cl CSC046223000 [0,1,1,0,0,0|1,0,1]=4 41 B19R2.12239 CC(=O)c1ccccc1OCc2ccc(cc2)Br CSC000481332 [0,1,1,0,0,0|0,0,2]=4 42 B19R2.12239 CC(=O)c1ccccc1OCc2ccc(cc2)Cl CSC000578490 [0,1,1,0,0,0|0,0,2]=4 43 B19R2.12239 CC(=O)c1ccccc1OCc2ccc(cc2)F CSC000382635 [0,1,1,0,0,0|0,0,2]=4 44 B19R2.12239 NC(=O)c1ccccc1OCc2ccc(cc2)Br CSC000578011 [0,1,1,0,0,0|1,0,1]=4 45 B19R2.12753 COC(=O)c1ccccc1OCc2ccccc2 CSC000148911 [0,1,1,0,0,0|0,0,2]=4 46 B19R2.101532 CC(=O)c1ccccc1OCc2cccc(c2)F CSC000481337 [0,1,1,0,0,0|0,0,2]=4 47 B19R2.103477 CC(=O)c1cc(ccc1OCc2ccccc2)F CSC000151616 [0,1,1,0,0,0|0,0,2]=4 48 B19R2.103477 NC(=O)c1cc(ccc1OCc2ccccc2)Br CSC009812497 [0,1,1,0,0,0|1,0,1]=4 49 B21R3.10038 COc1ccc(cc1)c2nc3ccccc3c(=O)[nH]2 CSC025705240 [0,2,0,0,0,0|2,0,0]=4 50 B21R3.515766 NC(=O)c1cc(nc2c1cccc2)c3ccccn3 CSC046149946 [0,2,0,0,0,0|2,0,0]=4 51 B19R3.27 c1c(n[nH]c1c2ccccc2)c3ccccc3 CSC000487741 [0,0,1,1,0,0|2,0,0]=4 52 B19R3.182 O=C1C(=Cc2ccccc2)Oc3c1cccc3 CSC046110939 [0,0,1,1,0,0|0,0,0]=2 53 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 CSC000252023 [0,0,1,0,1,0|2,0,0]=4 54 B17R2.3417 Cc1ccccc1C(=O)Oc2ccccc2 CSC000001951 [0,0,1,0,1,0|2,0,0]=4 55 B17R2.3417 Fc1ccccc1C(=O)Nc2ccccc2 CSC000153486 [0,0,1,0,1,0|2,0,0]=4 56 B17R2.3417 Fc1ccccc1C(=O)Oc2ccccc2 CSC000001945 [0,0,1,0,1,0|2,0,0]=4 57 B17R2.3417 Ic1ccccc1C(=O)Nc2ccccc2 CSC000153495 [0,0,1,0,1,0|2,0,0]=4 58 B17R2.3417 Ic1ccccc1C(=O)Oc2ccccc2 CSC000001949 [0,0,1,0,1,0|2,0,0]=4 59 B17R2.5618 NC(=O)c1ccccc1Nc2ccccc2 CSC000020822 [0,0,1,0,1,0|2,0,0]=4 60 B17R2.5618 NC(=O)c1ccccc1Oc2ccccc2 CSC000016671 [0,0,1,0,1,0|1,0,0]=3 61 B19R2.8898 O=C(COC(=O)c1ccccc1)c2ccccc2 CSC020643727 [0,0,1,0,0,1|0,0,2]=4 62 B19R2.8898 O=C(NNC(=O)c1ccccc1)c2ccccc2 CSC000067028 [0,0,1,0,0,1|1,0,1]=4 63 B19R2.5666 Oc1ccccc1C(=O)NCCc2ccccc2 CSC000579931 [0,0,1,0,0,1|0,0,2]=4 64 B19R2.5666 Oc1ccccc1C(=O)NN=Cc2ccccn2 CSC046158274 [0,0,1,0,0,1|2,0,0]=4 65 B19R2.5666 Oc1ccccc1C(=O)NN=Cc2cccnc2 CSC046136499 [0,0,1,0,0,1|2,0,0]=4 66 B19R2.5666 Oc1ccccc1C(=O)NN=Cc2ccncc2 CSC046212406 [0,0,1,0,0,1|2,0,0]=4 67 B19R2.5666 Oc1ccccc1C(=O)OCCc2ccccc2 CSC020586055 [0,0,1,0,0,1|0,0,2]=4 68 B19R2.8826 NC(=O)c1ccccc1OCCc2ccccc2 CSC020586076 [0,0,1,0,0,1|1,0,1]=4 69 B19R3.19215 S(c1ccccc1)c2cnc3ccccc3n2 CSC046125516 [1,0,0,0,0,1|2,0,0]=4 70 B21R3.444247 O=c1[nH]c(nc2c1cccc2)CSc3ccccc3 CSC047704277 [0,0,0,0,0,2|2,0,0]=4 71 B21R3.444247 O=c1[nH]c(nc2c1cccc2)SCc3ccccc3 CSC046206039 [0,0,0,0,0,2|2,0,0]=4