0 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 CSC000002920 [0,0,0,0,0,0|2,0,2]=4 1 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 CSC000248057 [0,0,0,0,0,0|3,0,1]=4 2 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 CSC042013121 [0,0,0,0,0,0|3,0,1]=4 3 B16R1.608 CN(C)CCNC(=O)CCc1ccccc1 CSC039236855 [0,0,0,0,0,0|1,0,2]=3 4 B16R1.608 CN(C)CCNC(=O)CNc1ccccc1 CSC000378475 [0,0,0,0,0,0|2,0,1]=3 5 B16R1.608 CN(C)CCNC(=O)COc1ccccc1 CSC048405705 [0,0,0,0,0,0|2,0,1]=3 6 B15R1.78 CNCCCC(=O)NCc1ccccc1 CSC011357747 [1,0,0,0,0,0|2,0,1]=4 7 B15R1.78 CNCCNC(=O)CCc1ccccc1 CSC011723033 [1,0,0,0,0,0|1,0,2]=4 8 B15R1.78 CNCCNC(=O)CNc1ccccc1 CSC057521630 [1,0,0,0,0,0|2,0,1]=4 9 B15R1.78 CNCCNC(=O)COc1ccccc1 CSC011722935 [1,0,0,0,0,0|2,0,1]=4 10 B15R1.78 CNCCNC(=O)CSc1ccccc1 CSC011722918 [1,0,0,0,0,0|2,0,1]=4 11 B15R1.78 CNCCNC(=O)NCc1ccccc1 CSC014267506 [1,0,0,0,0,0|2,0,1]=4 12 B15R1.504 CC(C)CCNCC=Cc1ccccc1 CSC011192284 [1,0,0,0,0,0|2,0,1]=4 13 B17R1.675 CN(C)CCNC(=O)CC(N)c1ccccc1 CSC000520976 [0,1,0,0,0,0|1,0,2]=4 14 B17R1.1079 CN(C)CCNC(=O)CCc1ccc(cc1)Cl CSC046137066 [0,1,0,0,0,0|1,0,2]=4 15 B17R1.1079 CN(C)CCNC(=O)CCc1ccc(cc1)F CSC046611821 [0,1,0,0,0,0|1,0,2]=4 16 B17R1.1079 CN(C)CCNC(=O)COc1ccc(cc1)Cl CSC047968352 [0,1,0,0,0,0|2,0,1]=4 17 B17R1.1079 CN(C)CCNC(=O)COc1ccc(cc1)F CSC048553645 [0,1,0,0,0,0|2,0,1]=4 18 B17R1.1079 CN(C)CCNC(=O)CSc1ccc(cc1)C CSC046222416 [0,1,0,0,0,0|2,0,1]=4 19 B17R1.1079 CN(C)CCNC(=O)CSc1ccc(cc1)Cl CSC047700991 [0,1,0,0,0,0|2,0,1]=4 20 B17R1.9015 CN(C)CCNC(=O)CCc1ccccc1F CSC046112806 [0,1,0,0,0,0|1,0,2]=4 21 B17R1.9015 CN(C)CCNC(=O)CCc1ccccc1N CSC000548878 [0,1,0,0,0,0|1,0,2]=4 22 B17R1.9015 CN(C)CCNC(=O)COc1ccccc1C CSC048209586 [0,1,0,0,0,0|2,0,1]=4 23 B17R1.9015 CN(C)CCNC(=O)COc1ccccc1Cl CSC046159148 [0,1,0,0,0,0|2,0,1]=4 24 B17R1.9289 CC(C)CCNC(=O)C(=O)Nc1ccccc1 CSC046103692 [0,1,0,0,0,0|3,0,0]=4 25 B17R1.9289 CC(Oc1ccccc1)C(=O)NCCN(C)C CSC047994238 [0,1,0,0,0,0|2,0,1]=4 26 B17R1.9289 CN(C)CCNC(=O)C(=O)Nc1cccnc1 CSC048364641 [0,1,0,0,0,0|3,0,0]=4 27 B17R1.9289 CN(C)CCNC(=O)C(N)Cc1ccccc1 CSC000410434 [0,1,0,0,0,0|1,0,2]=4 28 B17R1.14359 CN(C)CCNC(=O)COc1cccc(c1)Cl CSC046225148 [0,1,0,0,0,0|2,0,1]=4 29 B17R1.16633 CC(CNC(=O)CNc1ccccc1)N(C)C CSC007846522 [0,1,0,0,0,0|2,0,1]=4 30 B15R1.1081 CN(C)CCNC(=O)Nc1ccncc1 CSC060953047 [0,0,0,0,1,0|3,0,0]=4 31 B15R1.5919 CC(C)COC(=O)COc1ccccc1 CSC000005853 [0,0,0,0,1,0|2,0,1]=4 32 B17R1.1324 CN(C)CCCNC(=O)CCc1ccccc1 CSC046185470 [0,0,0,0,0,1|1,0,2]=4 33 B17R1.1324 CN(C)CCCNC(=O)COc1ccccc1 CSC046257015 [0,0,0,0,0,1|2,0,1]=4 34 B17R1.1324 CN(C)CCCOC(=O)CCc1ccccc1 CSC046260678 [0,0,0,0,0,1|0,0,2]=3 35 B17R1.1324 CN(C)CCCOC(=O)COc1ccccc1 CSC047885343 [0,0,0,0,0,1|1,0,1]=3 36 B17R1.16611 CN(C)CCNC(=O)CCSc1ccccc1 CSC046836972 [0,0,0,0,0,1|1,0,2]=4 37 B14R1.156 O=C(OCC#N)C=Cc1ccccc1 CSC043593763 [2,0,0,0,0,0|0,0,2]=4 38 B16R1.613 CC(C)CCOC(=O)C(O)c1ccccc1 CSC000035775 [0,1,0,0,1,0|1,0,1]=4 39 B16R1.613 CN(C)CCNC(=O)C(N)c1ccccc1 CSC000299945 [0,1,0,0,1,0|1,0,1]=4 40 B16R1.1067 CN(C)CCNC(=O)Cc1ccc(cc1)C CSC037133347 [0,1,0,0,1,0|1,0,1]=4 41 B16R1.1067 CN(C)CCNC(=O)Cc1ccc(cc1)Cl CSC000002989 [0,1,0,0,1,0|1,0,1]=4 42 B16R1.1067 CN(C)CCNC(=O)Cc1ccc(cc1)F CSC046859759 [0,1,0,0,1,0|1,0,1]=4 43 B16R1.7414 CN(C)CCNC(=O)Cc1ccccc1Cl CSC047843139 [0,1,0,0,1,0|1,0,1]=4 44 B16R1.7414 CN(C)CCNC(=O)Cc1ccccc1F CSC047339759 [0,1,0,0,1,0|1,0,1]=4 45 B16R1.11236 CN(C)CCNC(=O)Cc1cccc(c1)Br CSC047523373 [0,1,0,0,1,0|1,0,1]=4 46 B16R1.11236 CN(C)CCNC(=O)Cc1cccc(c1)Cl CSC046661281 [0,1,0,0,1,0|1,0,1]=4 47 B16R1.11236 CN(C)CCNC(=O)Nc1cccc(c1)Cl CSC030904617 [0,1,0,0,1,0|2,0,0]=4 48 B18R1.979 CN(C)CCCOC(=O)COc1ccc(cc1)Br CSC047651648 [0,1,0,0,0,1|1,0,1]=4 49 B18R1.979 CN(C)CCCOC(=O)COc1ccc(cc1)C CSC046531475 [0,1,0,0,0,1|1,0,1]=4 50 B18R1.979 CN(C)CCCOC(=O)COc1ccc(cc1)Cl CSC046979416 [0,1,0,0,0,1|1,0,1]=4 51 B18R1.979 CN(C)CCCOC(=O)COc1ccc(cc1)F CSC046155093 [0,1,0,0,0,1|1,0,1]=4 52 B18R1.20704 CN(C)CCCNC(=O)C(=O)Nc1ccccc1 CSC046658599 [0,1,0,0,0,1|2,0,0]=4 53 B18R1.9307 CN(C)CCNC(=O)C(=O)Nc1ccc(cc1)Br CSC046313619 [0,2,0,0,0,0|2,0,0]=4 54 B18R1.9307 CN(C)CCNC(=O)C(=O)Nc1ccc(cc1)C CSC046235423 [0,2,0,0,0,0|2,0,0]=4 55 B18R1.9307 CN(C)CCNC(=O)C(=O)Nc1ccc(cc1)Cl CSC046175678 [0,2,0,0,0,0|2,0,0]=4 56 B18R1.9307 CN(C)CCNC(=O)C(=O)Nc1ccc(cc1)F CSC046182922 [0,2,0,0,0,0|2,0,0]=4 57 B18R1.623 CCN(CC)CCOC(=O)CCc1ccccc1 CSC046992554 [0,2,0,0,0,0|0,0,2]=4 58 B18R1.13972 CN(C)CCNC(=O)C(=O)Nc1ccccc1Br CSC048479463 [0,2,0,0,0,0|2,0,0]=4 59 B18R1.13972 CN(C)CCNC(=O)C(=O)Nc1ccccc1C CSC048035875 [0,2,0,0,0,0|2,0,0]=4 60 B18R1.13972 CN(C)CCNC(=O)C(=O)Nc1ccccc1Cl CSC047878953 [0,2,0,0,0,0|2,0,0]=4 61 B18R1.13972 CN(C)CCNC(=O)C(=O)Nc1ccccc1F CSC047814255 [0,2,0,0,0,0|2,0,0]=4 62 B18R1.9960 CN(C)CCNC(=O)C(=O)Nc1cccc(c1)Br CSC046691603 [0,2,0,0,0,0|2,0,0]=4 63 B18R1.9960 CN(C)CCNC(=O)C(=O)Nc1cccc(c1)Cl CSC047921975 [0,2,0,0,0,0|2,0,0]=4 64 B18R1.9960 CN(C)CCNC(=O)C(=O)Nc1cccc(c1)F CSC046164378 [0,2,0,0,0,0|2,0,0]=4 65 B16R2.2441 CCCCOc1ccc2ccccc2c1 CSC000014088 [1,0,0,1,0,0|2,0,0]=4 66 B18R2.7182 CN(C)CCNC(=O)c1csc2c1cccc2 CSC046183569 [0,0,0,1,0,1|1,0,0]=3 67 B18R2.253 CC1CCN(CC1)C(=O)C=Cc2ccccc2 CSC046377885 [0,1,0,1,0,0|2,0,0]=4 68 B18R2.71602 CN(C)CCNC(=O)c1cc2ccccc2[nH]1 CSC000609305 [0,1,0,1,0,0|1,0,0]=3 69 B18R2.71602 CN(C)CCNC(=O)c1cc2ccccc2o1 CSC047460823 [0,1,0,1,0,0|1,0,0]=3 70 B18R2.12980 CN(C)C(=O)COc1ccc2ccccc2c1 CSC047989033 [0,1,0,1,0,0|1,0,1]=4 71 B14R1.420 CC(C)CCNC(=O)c1ccccc1 CSC000159404 [0,0,0,0,2,0|2,0,0]=4 72 B14R1.420 CC(C)CCOC(=O)c1ccccc1 CSC000024467 [0,0,0,0,2,0|1,0,0]=3 73 B14R1.420 CN(C)CCNC(=O)c1ccccn1 CSC000002979 [0,0,0,0,2,0|2,0,0]=4 74 B14R1.420 CN(C)CCNC(=O)c1cccnc1 CSC000002982 [0,0,0,0,2,0|2,0,0]=4 75 B14R1.420 CN(C)CCNC(=O)c1ccncc1 CSC000002980 [0,0,0,0,2,0|2,0,0]=4 76 B14R1.818 CN(C)CC(=O)NCc1ccccc1 CSC000167967 [0,0,0,0,2,0|1,0,1]=4 77 B16R1.596 CN(C)CCCNCC=Cc1ccccc1 CSC000273849 [1,0,0,0,0,1|1,0,1]=4