0 B17R3.127913 c1cc(NCCC2CC2)c3sccc3c1 Amb33189486 [0,0,0,0,0,0|2,0,0]=2 1 B18R3.1018550 OC(CNc1cccc2ccsc12)C3CC3 Amb33189472 [0,1,0,0,0,0|2,0,0]=3 2 B16R2.7450 COc1cccc(CNCC2CC2)c1O Amb6686788 [0,0,1,0,0,0|1,1,1]=4 3 B16R2.11632 CCCCCNc1cccc2ccsc12 Amb33189435 [0,0,1,0,0,0|2,0,0]=3 4 B16R2.11632 CCOCCNc1cccc2ccsc12 Amb33189404 [0,0,1,0,0,0|3,0,0]=4 5 B16R2.11632 COCCCNc1cccc2ccsc12 Amb33189436 [0,0,1,0,0,0|3,0,0]=4 6 B16R2.11632 ClCCCC#Cc1cccc2ccsc12 Amb27451456 [0,0,1,0,0,0|2,0,1]=4 7 B16R2.11632 OCCCCNc1cccc2ccsc12 Amb33189456 [0,0,1,0,0,0|3,0,0]=4 8 B16R2.27401 CC(C)CCNc1cccc2ccsc12 Amb33189437 [0,0,1,0,0,0|2,0,0]=3 9 B16R2.27401 CC(O)CCNc1cccc2ccsc12 Amb33189457 [0,0,1,0,0,0|3,0,0]=4 10 B16R2.27401 CN(C)CCNc1cccc2ccsc12 Amb33189441 [0,0,1,0,0,0|3,0,0]=4 11 B16R2.28197 CCOc1cccc(CNCC2CC2)c1 Amb15717950 [0,0,1,0,0,0|2,0,1]=4 12 B16R2.28197 COCc1cccc(CNCC2CC2)c1 Amb33044430 [0,0,1,0,0,0|2,0,1]=4 13 B16R2.28389 CCOc1ccccc1CNCC2CC2 Amb6686697 [0,0,1,0,0,0|0,1,2]=4 14 B16R3.6443 C1=Cc2cccc(OCC3CO3)c2C1 Amb26366340 [0,0,0,0,1,0|3,0,0]=4 15 B16R3.6443 c1cc(CNC2CC2)c3c(c1)OCO3 Amb7541615 [0,0,0,0,1,0|1,1,1]=4 16 B16R3.6443 c1cc(CNC2CC2)c3sncc3c1 Amb35687863 [0,0,0,0,1,0|1,0,0]=2 17 B16R3.6443 c1cc(NCC2CC2)c3sccc3c1 Amb26539227 [0,0,0,0,1,0|0,0,0]=1 18 B16R3.6443 c1cc(NCC2CC2)c3sccc3n1 Amb23703620 [0,0,0,0,1,0|1,0,0]=2 19 B16R3.6443 c1cc2c(c(CNC3CC3)c1)CNC2 Amb35609488 [0,0,0,0,1,0|2,0,1]=4 20 B16R3.6443 c1cc2cnnc(NCC3CC3)c2o1 Amb27451525 [0,0,0,0,1,0|2,1,0]=4 21 B18R3.36498 c1cc(NCCC2CCC2)c3sccc3c1 Amb33189423 [0,0,0,0,0,1|2,0,0]=3 22 B15R2.7158 Clc1cccc(CNCC2CC2)c1Cl Amb6686902 [1,0,1,0,0,0|2,0,0]=4 23 B15R2.7158 Fc1cccc(CNCC2CC2)c1F Amb9523827 [1,0,1,0,0,0|2,0,0]=4 24 B15R2.7158 Oc1c(Br)cccc1CNCC2CC2 Amb33044515 [1,0,1,0,0,0|1,1,0]=4 25 B15R2.2488 COc1cccc(CNCC2CC2)c1 Amb6686694 [1,0,1,0,0,0|1,0,1]=4 26 B15R2.2488 N#Cc1cccc(CNCC2CC2)c1 Amb6686755 [1,0,1,0,0,0|1,0,1]=4 27 B15R2.4278 BrCCCNc1cccc2ccsc12 Amb33189450 [1,0,1,0,0,0|1,0,0]=3 28 B15R2.4278 C#CCCNc1cccc2ccsc12 Amb25814022 [1,0,1,0,0,0|0,0,2]=4 29 B15R2.4278 C=CCCNc1cccc2ccsc12 Amb26473763 [1,0,1,0,0,0|0,0,2]=4 30 B15R2.4278 CCCCNc1cccc2ccsc12 Amb26938492 [1,0,1,0,0,0|0,0,0]=2 31 B15R2.4278 COCCNc1cccc2ccsc12 Amb24523745 [1,0,1,0,0,0|1,0,0]=3 32 B15R2.4278 COCCNc1ccnc2ccsc12 Amb27651118 [1,0,1,0,0,0|2,0,0]=4 33 B15R2.4278 CSCCNc1cccc2ccsc12 Amb24523759 [1,0,1,0,0,0|1,0,0]=3 34 B15R2.4278 C\C=C\CNc1cccc2ccsc12 Amb33189488 [1,0,1,0,0,0|0,0,2]=4 35 B15R2.4278 ClCCCNc1cccc2ccsc12 Amb33189438 [1,0,1,0,0,0|1,0,0]=3 36 B15R2.4278 FCCCNc1cccc2ccsc12 Amb26425960 [1,0,1,0,0,0|1,0,0]=3 37 B15R2.4278 FCCCNc1nccc2ccsc12 Amb27879333 [1,0,1,0,0,0|2,0,0]=4 38 B15R2.4278 N#CCCNc1cccc2ccsc12 Amb25984610 [1,0,1,0,0,0|1,0,1]=4 39 B15R2.4278 NCCCNc1cccc2cnsc12 Amb35687820 [1,0,1,0,0,0|2,0,0]=4 40 B15R2.4278 NCCCNc1nccc2ccsc12 Amb27168888 [1,0,1,0,0,0|2,0,0]=4 41 B15R2.4278 OCCCNc1cccc2ccsc12 Amb24417320 [1,0,1,0,0,0|1,0,0]=3 42 B15R2.4278 OCCCNc1nccc2ccsc12 Amb27396420 [1,0,1,0,0,0|2,0,0]=4 43 B17R2.10878 CCCCCCNc1cccc2ccsc12 Amb33189439 [0,1,1,0,0,0|1,0,0]=3 44 B17R2.10878 CCOCCCNc1cccc2ccsc12 Amb33189396 [0,1,1,0,0,0|2,0,0]=4 45 B17R2.10878 COCCCCNc1cccc2ccsc12 Amb33189459 [0,1,1,0,0,0|2,0,0]=4 46 B17R2.10878 OCCCCCNc1cccc2ccsc12 Amb33189451 [0,1,1,0,0,0|2,0,0]=4 47 B17R2.44757 CC(O)CCCNc1cccc2ccsc12 Amb33189483 [0,1,1,0,0,0|2,0,0]=4 48 B17R3.5236 O=C1Nc2cccc(CNC3CC3)c2O1 Amb32698256 [0,1,0,0,1,0|1,1,0]=4 49 B17R3.56297 Brc1cnc(OCC2CC2)c3sccc13 Amb27767236 [0,1,0,0,1,0|2,0,0]=4 50 B17R3.483750 O=C(CC1CC1)c2cccc3cnsc23 Amb35687620 [0,1,0,0,1,0|1,0,1]=4 51 B17R3.484355 CC(Nc1cccc2ccsc12)C3CC3 Amb33189462 [0,1,0,0,1,0|0,0,0]=2 52 B17R3.1910 c1cc(NC2CCCC2)c3sccc3c1 Amb33189442 [0,0,1,1,0,0|2,0,0]=4 53 B17R3.17527 ClC1CCC(c2cccc3ccsc23)C1 Amb27774075 [0,0,1,1,0,0|2,0,0]=4 54 B17R3.123688 c1ccc2oc(CNCC3CC3)cc2c1 Amb6719820 [0,0,1,1,0,0|2,0,0]=4 55 B15R2.19753 C=C(C)CNc1cccc2ccsc12 Amb25953512 [0,0,1,0,1,0|0,0,2]=4 56 B15R2.19753 CC(=O)CNc1cccc2ccsc12 Amb33189485 [0,0,1,0,1,0|1,0,1]=4 57 B15R2.19753 CC(Br)CCc1cccc2cnsc12 Amb35687643 [0,0,1,0,1,0|2,0,0]=4 58 B15R2.19753 CC(C)CNc1cccc2ccsc12 Amb25084023 [0,0,1,0,1,0|0,0,0]=2 59 B15R2.19753 CC(C)NCc1cccc2cnsc12 Amb35687870 [0,0,1,0,1,0|1,0,0]=3 60 B15R2.19753 CC(Cl)CCc1cccc2cnsc12 Amb35687641 [0,0,1,0,1,0|2,0,0]=4 61 B15R2.19753 CC(F)CNc1cccc2ccsc12 Amb33189499 [0,0,1,0,1,0|1,0,0]=3 62 B15R2.19753 CC(N)CCc1cccc2cnsc12 Amb35695595 [0,0,1,0,1,0|2,0,0]=4 63 B15R2.19753 CC(O)CCc1cccc2cnsc12 Amb35695590 [0,0,1,0,1,0|2,0,0]=4 64 B15R2.19753 CC(O)CNc1cccc2ccsc12 Amb25335671 [0,0,1,0,1,0|1,0,0]=3 65 B15R2.19753 C[C@@H](O)CNc1cccc2ccsc12 Amb24523757 [0,0,1,0,1,0|1,0,0]=3 66 B15R2.19753 C[C@H](O)CNc1cccc2ccsc12 Amb28254834 [0,0,1,0,1,0|1,0,0]=3 67 B15R2.19753 FC(F)CNc1cccc2ccsc12 Amb24523758 [0,0,1,0,1,0|2,0,0]=4 68 B15R3.4382 c1cc(CC2CO2)c3sncc3c1 Amb35687646 [0,0,0,0,2,0|2,0,0]=4 69 B15R3.4382 c1cc(NC2CC2)c3sccc3c1 Amb26551627 [0,0,0,0,2,0|0,0,0]=2 70 B15R3.4382 c1cc(OC2CC2)c3occc3c1 Amb28430493 [0,0,0,0,2,0|1,1,0]=4 71 B15R3.4382 c1nc(NC2CC2)c3sccc3n1 Amb8857432 [0,0,0,0,2,0|2,0,0]=4 72 B17R2.148072 CCCCNCc1cccc2ccccc12 Amb6690949 [0,0,1,0,0,1|1,0,0]=3 73 B17R2.148072 COCCNCc1cccc2ccccc12 Amb13949011 [0,0,1,0,0,1|2,0,0]=4 74 B17R2.148072 COCCNCc1cccc2ccccc12 Amb4303677 [0,0,1,0,0,1|2,0,0]=4 75 B17R2.148072 OCCCNCc1cccc2ccccc12 Amb13949009 [0,0,1,0,0,1|2,0,0]=4 76 B17R2.148072 OCCCNCc1cccc2ccccc12 Amb534553 [0,0,1,0,0,1|2,0,0]=4 77 B17R2.291558 CC(C)CNCc1cccc2ccccc12 Amb838142 [0,0,1,0,0,1|1,0,0]=3 78 B17R2.291558 CC(O)CNCc1cccc2ccccc12 Amb534490 [0,0,1,0,0,1|2,0,0]=4