0 B17R2.3417 CC1=C(CCCO1)C(=O)Nc2ccccc2 CSC000038253 [0,0,0,0,0,0|1,0,0]=1 1 B17R2.3417 CC1=C(SCCO1)C(=O)Nc2ccccc2 CSC000023192 [0,0,0,0,0,0|0,0,0]=0 2 B17R2.3417 CC1NCCCC1C(=O)Nc2ccccc2 CSC006201395 [0,0,0,0,0,0|2,0,2]=4 3 B17R2.3417 C[C@H]1OCCN[C@@H]1C(=O)Nc2ccccc2 CSC057215970 [0,0,0,0,0,0|1,0,2]=3 4 B17R2.3417 C[C@H]1OCCN[C@@H]1C(=O)Nc2ccncc2 CSC056691671 [0,0,0,0,0,0|2,0,2]=4 5 B18R2.3988 C[C@H]1OCCN[C@@H]1C(=O)N(C)c2ccccc2 CSC056690312 [0,1,0,0,0,0|1,0,2]=4 6 B18R2.9218 CC1=C(SCCO1)C(=O)Nc2ccc(cc2)Cl CSC046225392 [0,1,0,0,0,0|0,0,0]=1 7 B18R2.9218 CC1=C(SCCO1)C(=O)Nc2ccc(cc2)F CSC046161625 [0,1,0,0,0,0|0,0,0]=1 8 B18R2.9218 C[C@H]1OCCN[C@@H]1C(=O)Nc2ccc(cc2)Br CSC057320759 [0,1,0,0,0,0|1,0,2]=4 9 B18R2.9218 C[C@H]1OCCN[C@@H]1C(=O)Nc2ccc(cc2)C CSC057725177 [0,1,0,0,0,0|1,0,2]=4 10 B18R2.9218 C[C@H]1OCCN[C@@H]1C(=O)Nc2ccc(cc2)Cl CSC057157679 [0,1,0,0,0,0|1,0,2]=4 11 B18R2.9218 C[C@H]1OCCN[C@@H]1C(=O)Nc2ccc(cc2)F CSC056902049 [0,1,0,0,0,0|1,0,2]=4 12 B18R2.9218 C[C@H]1OCCN[C@@H]1C(=O)Nc2ccc(cc2)I CSC057532321 [0,1,0,0,0,0|1,0,2]=4 13 B18R2.9218 C[C@H]1OCCN[C@@H]1C(=O)Nc2ccc(cc2)O CSC056888195 [0,1,0,0,0,0|1,0,2]=4 14 B18R2.32648 C[C@H]1OCCN[C@@H]1C(=O)Nc2ccccc2C CSC056834903 [0,1,0,0,0,0|1,0,2]=4 15 B18R2.32648 C[C@H]1OCCN[C@@H]1C(=O)Nc2ccccc2Cl CSC057448710 [0,1,0,0,0,0|1,0,2]=4 16 B18R2.32648 C[C@H]1OCCN[C@@H]1C(=O)Nc2ccccc2F CSC057018165 [0,1,0,0,0,0|1,0,2]=4 17 B18R2.32648 C[C@H]1OCCN[C@@H]1C(=O)Nc2ccccc2O CSC056714989 [0,1,0,0,0,0|1,0,2]=4 18 B18R2.65851 C[C@H]1OCCN[C@@H]1C(=O)Nc2cccc(c2)Br CSC057697330 [0,1,0,0,0,0|1,0,2]=4 19 B18R2.65851 C[C@H]1OCCN[C@@H]1C(=O)Nc2cccc(c2)C CSC057062647 [0,1,0,0,0,0|1,0,2]=4 20 B18R2.65851 C[C@H]1OCCN[C@@H]1C(=O)Nc2cccc(c2)Cl CSC057011452 [0,1,0,0,0,0|1,0,2]=4 21 B18R2.65851 C[C@H]1OCCN[C@@H]1C(=O)Nc2cccc(c2)F CSC056976489 [0,1,0,0,0,0|1,0,2]=4 22 B18R2.65851 C[C@H]1OCCN[C@@H]1C(=O)Nc2cccc(c2)I CSC057634290 [0,1,0,0,0,0|1,0,2]=4 23 B18R2.65851 C[C@H]1OCCN[C@@H]1C(=O)Nc2cccc(c2)O CSC056772248 [0,1,0,0,0,0|1,0,2]=4 24 B16R1.693 CCOCCCNC(=O)Nc1ccccc1 CSC045768029 [0,0,1,0,0,0|2,0,1]=4 25 B16R2.3005 Brc1ccsc1C(=O)Nc2ccccc2 CSC011321874 [0,0,0,0,1,0|1,0,2]=4 26 B16R2.3005 CC1=C(CCC1)C(=O)Nc2cnccn2 CSC049102771 [0,0,0,0,1,0|3,0,0]=4 27 B16R2.3005 CC1=C(CCC1)C(=O)Nc2cncnc2 CSC048137979 [0,0,0,0,1,0|3,0,0]=4 28 B16R2.3005 Cc1ccoc1C(=O)Nc2ccccc2 CSC000187488 [0,0,0,0,1,0|0,1,2]=4 29 B16R2.3005 Cc1nnsc1C(=O)Nc2ccccc2 CSC000198656 [0,0,0,0,1,0|2,0,0]=3 30 B16R2.3005 Cc1nnsc1C(=O)Nc2ccccn2 CSC032675562 [0,0,0,0,1,0|3,0,0]=4 31 B16R2.3005 Cc1nnsc1C(=O)Nc2cccnc2 CSC028593607 [0,0,0,0,1,0|3,0,0]=4 32 B16R2.3005 Cc1nnsc1C(=O)Nc2ccncc2 CSC045124106 [0,0,0,0,1,0|3,0,0]=4 33 B16R2.3005 Cc1nscc1C(=O)Nc2ccccc2 CSC038206256 [0,0,0,0,1,0|2,0,1]=4 34 B16R2.3005 Cc1occc1C(=O)Nc2ccccc2 CSC000198657 [0,0,0,0,1,0|0,0,2]=3 35 B16R2.3005 Cc1occc1C(=O)Nc2cccnc2 CSC000018580 [0,0,0,0,1,0|1,0,2]=4 36 B16R2.3005 Cc1occc1C(=O)Nc2ccncc2 CSC000020839 [0,0,0,0,1,0|1,0,2]=4 37 B16R2.3005 Clc1ccsc1C(=O)Nc2ccccc2 CSC012799552 [0,0,0,0,1,0|1,0,2]=4 38 B18R2.4001 C[C@H]1OCCN[C@@H]1C(=O)NCc2ccccc2 CSC057189451 [0,0,0,0,0,1|1,0,2]=4 39 B15R1.83 COCCCNC(=O)Nc1ccccc1 CSC000003772 [1,0,1,0,0,0|2,0,0]=4 40 B15R1.83 COCCNCC(=O)Nc1ccccc1 CSC000176312 [1,0,1,0,0,0|1,0,1]=4 41 B15R1.83 COCCSCC(=O)Nc1ccccn1 CSC026443070 [1,0,1,0,0,0|1,0,1]=4 42 B15R1.551 OCCNC(=O)C(=O)Nc1ccccc1 CSC000015067 [1,0,1,0,0,0|2,0,0]=4 43 B15R1.809 CCOC(=O)CC(=O)Nc1ccccc1 CSC000058556 [1,0,1,0,0,0|1,0,1]=4 44 B15R1.1289 CCN(CCO)C(=O)Nc1ccccc1 CSC000689317 [1,0,1,0,0,0|1,0,1]=4 45 B17R2.209 Cc1ccc(cc1)NC(=O)C2=CCCCC2 CSC010204637 [1,1,0,0,0,0|2,0,0]=4 46 B17R2.484 Cc1nnsc1C(=O)Nc2ccc(cc2)Br CSC000198661 [0,1,0,0,1,0|2,0,0]=4 47 B17R2.484 Cc1nnsc1C(=O)Nc2ccc(cc2)C CSC046109851 [0,1,0,0,1,0|2,0,0]=4 48 B17R2.484 Cc1nnsc1C(=O)Nc2ccc(cc2)Cl CSC043379111 [0,1,0,0,1,0|2,0,0]=4 49 B17R2.484 Cc1nnsc1C(=O)Nc2ccc(cc2)F CSC035038750 [0,1,0,0,1,0|2,0,0]=4 50 B17R2.484 Cc1occc1C(=O)Nc2ccc(cc2)Br CSC000198663 [0,1,0,0,1,0|0,0,2]=4 51 B17R2.484 Cc1occc1C(=O)Nc2ccc(cc2)C CSC046130918 [0,1,0,0,1,0|0,0,2]=4 52 B17R2.484 Cc1occc1C(=O)Nc2ccc(cc2)F CSC035095494 [0,1,0,0,1,0|0,0,2]=4 53 B17R2.484 Cc1occc1C(=O)Nc2ccc(cc2)I CSC000198703 [0,1,0,0,1,0|0,0,2]=4 54 B17R2.3343 Cc1cc(c(o1)C)C(=O)Nc2ccccc2 CSC000249613 [0,1,0,0,1,0|0,0,2]=4 55 B17R2.3343 Cc1nc(c(o1)C)C(=O)Nc2ccccc2 CSC046039145 [0,1,0,0,1,0|1,0,1]=4 56 B17R2.3517 CN(C(=O)c1ccoc1C)c2ccccc2 CSC048908665 [0,1,0,0,1,0|0,0,2]=4 57 B17R2.3517 CN(C(=O)c1snnc1C)c2ccccc2 CSC000017768 [0,1,0,0,1,0|2,0,0]=4 58 B17R2.8669 Cc1coc(c1C(=O)Nc2ccccc2)C CSC010196281 [0,1,0,0,1,0|0,0,2]=4 59 B17R2.20534 Cc1nnsc1C(=O)Nc2ccccc2Br CSC000198658 [0,1,0,0,1,0|2,0,0]=4 60 B17R2.20534 Cc1nnsc1C(=O)Nc2ccccc2C CSC046133969 [0,1,0,0,1,0|2,0,0]=4 61 B17R2.20534 Cc1nnsc1C(=O)Nc2ccccc2Cl CSC046982526 [0,1,0,0,1,0|2,0,0]=4 62 B17R2.20534 Cc1nnsc1C(=O)Nc2ccccc2F CSC035038749 [0,1,0,0,1,0|2,0,0]=4 63 B17R2.20534 Cc1occc1C(=O)Nc2ccccc2Br CSC000198660 [0,1,0,0,1,0|0,0,2]=4 64 B17R2.20534 Cc1occc1C(=O)Nc2ccccc2C CSC030597283 [0,1,0,0,1,0|0,0,2]=4 65 B17R2.20534 Cc1occc1C(=O)Nc2ccccc2Cl CSC030261508 [0,1,0,0,1,0|0,0,2]=4 66 B17R2.20534 Cc1occc1C(=O)Nc2ccccc2F CSC000017781 [0,1,0,0,1,0|0,0,2]=4 67 B17R2.20534 Cc1occc1C(=O)Nc2ccccc2I CSC000198682 [0,1,0,0,1,0|0,0,2]=4 68 B17R2.41874 Cc1ccsc1C(=O)Nc2cccc(c2)Br CSC000153626 [0,1,0,0,1,0|0,0,2]=4 69 B17R2.41874 Cc1ccsc1C(=O)Nc2cccc(c2)Cl CSC034558481 [0,1,0,0,1,0|0,0,2]=4 70 B17R2.41874 Cc1nnsc1C(=O)Nc2cccc(c2)Br CSC000198664 [0,1,0,0,1,0|2,0,0]=4 71 B17R2.41874 Cc1nnsc1C(=O)Nc2cccc(c2)Cl CSC046104552 [0,1,0,0,1,0|2,0,0]=4 72 B17R2.41874 Cc1occc1C(=O)Nc2cccc(c2)Br CSC000198666 [0,1,0,0,1,0|0,0,2]=4 73 B17R2.41874 Cc1occc1C(=O)Nc2cccc(c2)F CSC000017772 [0,1,0,0,1,0|0,0,2]=4 74 B17R2.41874 Cc1occc1C(=O)Nc2cccc(c2)O CSC000271159 [0,1,0,0,1,0|0,0,2]=4 75 B19R2.101153 CC1=C(S(=O)(=O)CCO1)C(=O)Nc2ccccc2 CSC015383986 [0,2,0,0,0,0|0,0,1]=3 76 B19R2.103395 CC1=C(SCCO1)C(=O)Nc2ccc(cc2Cl)Cl CSC046134063 [0,2,0,0,0,0|0,0,0]=2 77 B19R2.28949 COc1ccccc1NC(=O)C2=C(OCCS2)C CSC046261790 [0,2,0,0,0,0|0,0,0]=2 78 B17R2.50008 CCOC(=O)c1cc2ccccc2[nH]c1=O CSC000031236 [0,0,1,1,0,0|2,0,0]=4 79 B15R2.64 O=C(Nc1ccccc1)C2CCCO2 CSC000153457 [1,0,0,0,1,0|1,0,1]=4 80 B15R2.64 O=C(Nc1ccccc1)C2CCCO2 CSC000153457 [1,0,0,0,1,0|1,0,1]=4 81 B15R2.64 O=C(Nc1ccccc1)c2cccs2 CSC000153504 [1,0,0,0,1,0|0,0,2]=4 82 B17R2.3530 Cc1nnsc1C(=O)NCc2ccccc2 CSC000198668 [0,0,0,0,1,1|2,0,0]=4 83 B17R2.3530 Cc1occc1C(=O)NCc2ccccc2 CSC000187509 [0,0,0,0,1,1|0,0,2]=4