0 B17R2.5678 CC(C)c1ccccc1NCC2CCCN2 Amb17243442 [0,0,0,0,0,0|2,0,1]=3 1 B17R2.5678 CC(C)c1ccccc1OCC2=NCCN2 Amb8628553 [0,0,0,0,0,0|0,0,0]=0 2 B17R2.5678 CC(C)c1ccccc1OCC2OCCO2 Amb17245530 [0,0,0,0,0,0|2,0,1]=3 3 B17R2.5678 CC(C)c1ccccc1OC[C@@H]2CCCN2 Amb17051844 [0,0,0,0,0,0|1,0,1]=2 4 B16R2.1480 CCc1ccccc1NCC2CCCN2 Amb17238238 [1,0,0,0,0,0|2,0,1]=4 5 B16R2.1480 CCc1ccccc1OCC2=NCCN2 Amb17075364 [1,0,0,0,0,0|0,0,0]=1 6 B16R2.1480 CCc1ccccc1OCC2OCCO2 Amb17239795 [1,0,0,0,0,0|2,0,1]=4 7 B16R2.1480 CCc1ccccc1OC[C@@H]2CCCN2 Amb17051834 [1,0,0,0,0,0|1,0,1]=3 8 B16R2.1480 COc1ccccc1CCC2=NCCN2 Amb18567018 [1,0,0,0,0,0|2,0,0]=3 9 B16R2.1480 COc1ccccc1OCC2=NCCN2 Amb17075361 [1,0,0,0,0,0|1,0,0]=2 10 B16R2.1480 COc1ccccc1OCC2NCCS2 Amb22438989 [1,0,0,0,0,0|2,0,1]=4 11 B16R2.1480 COc1ccccc1OC[C@@H]2CCCN2 Amb17051837 [1,0,0,0,0,0|2,0,1]=4 12 B18R2.7144 CC(C)c1ccccc1OC(=O)C2CCCN2 Amb17345624 [0,1,0,0,0,0|1,0,2]=4 13 B18R2.14566 CC(C)(C)c1ccccc1NCC2CCCN2 Amb17250421 [0,1,0,0,0,0|2,0,1]=4 14 B18R2.14566 CC(C)(C)c1ccccc1OCC2=NCCN2 Amb17075369 [0,1,0,0,0,0|0,0,0]=1 15 B18R2.14566 CC(C)(C)c1ccccc1OCC2OCCO2 Amb17253002 [0,1,0,0,0,0|2,0,1]=4 16 B18R2.14566 CC(C)(C)c1ccccc1OC[C@@H]2CCCN2 Amb17051857 [0,1,0,0,0,0|1,0,1]=3 17 B18R2.29411 CC(C)c1ccccc1OCc2cc(N)on2 Amb17250098 [0,1,0,0,0,0|2,0,1]=4 18 B18R2.29411 CC(C)c1ccccc1OCc2csc(N)n2 Amb8830585 [0,1,0,0,0,0|2,0,1]=4 19 B18R2.29411 CC(C)c1ccccc1OCc2nnc(N)o2 Amb32454672 [0,1,0,0,0,0|2,0,1]=4 20 B18R2.29411 CC(C)c1ccccc1OCc2nnc(N)s2 Amb836421 [0,1,0,0,0,0|2,0,1]=4 21 B18R2.29411 CC(C)c1ccccc1OCc2nnc(S)o2 Amb24114639 [0,1,0,0,0,0|2,0,1]=4 22 B18R2.39218 Cc1cccc(C(C)C)c1NCC2CCCN2 Amb17250420 [0,1,0,0,0,0|2,0,1]=4 23 B16R1.3900 CC(C)c1ccccc1OCCNCCO Amb17143949 [0,0,1,0,0,0|1,0,1]=3 24 B16R1.3900 CCCNCCOc1ccccc1C(C)C Amb7798638 [0,0,1,0,0,0|1,0,1]=3 25 B16R1.4440 CC(C)c1ccccc1OCC(=O)N=C=O Amb17243588 [0,0,1,0,0,0|2,0,1]=4 26 B18R3.36582 c1ccc(C2CC2)c(OCC3=NCCN3)c1 Amb17577189 [0,0,0,1,0,0|0,0,0]=1 27 B16R2.498 CC(=O)c1ccccc1NC2=NCCN2 Amb32723058 [0,0,0,0,1,0|2,0,1]=4 28 B16R2.498 CC(C)c1ccccc1CC2CCCN2 Amb33273986 [0,0,0,0,1,0|1,0,1]=3 29 B16R2.498 CN(C)c1ccccc1CC2CCCN2 Amb32881141 [0,0,0,0,1,0|2,0,1]=4 30 B18R2.7138 CC(C)c1ccccc1NCC2CCCNC2 Amb17250424 [0,0,0,0,0,1|2,0,1]=4 31 B18R2.7138 CC(C)c1ccccc1OCC2CCCNC2 Amb6262206 [0,0,0,0,0,1|1,0,1]=3 32 B18R2.7138 CC(C)c1ccccc1OCC2CCNCC2 Amb6277204 [0,0,0,0,0,1|2,0,1]=4 33 B18R2.7138 CC(C)c1ccccc1OCC2CNCCO2 Amb5733305 [0,0,0,0,0,1|1,0,1]=3 34 B18R2.7138 CC(C)c1ccccc1OCC2COCCN2 Amb18575540 [0,0,0,0,0,1|1,0,1]=3 35 B18R2.7138 CC(C)c1ccccc1OCC2CSCCN2 Amb18073113 [0,0,0,0,0,1|1,0,1]=3 36 B15R1.241 CCNCCOc1ccccc1C(C)C Amb7798639 [1,0,1,0,0,0|0,0,1]=3 37 B15R1.1045 CCCNCCOc1ccccc1CC Amb9024983 [1,0,1,0,0,0|1,0,1]=4 38 B15R1.1045 CCc1ccccc1OCCNCCO Amb17143469 [1,0,1,0,0,0|1,0,1]=4 39 B15R1.768 CCOC(=O)COc1ccccc1CC Amb9005122 [1,0,1,0,0,0|2,0,0]=4 40 B15R1.1108 CC(C)c1ccccc1OCC(=O)NN Amb6394624 [1,0,1,0,0,0|2,0,0]=4 41 B15R2.562 Brc1ccccc1CCC2=NCCN2 Amb18584296 [2,0,0,0,0,0|2,0,0]=4 42 B15R2.562 Brc1ccccc1OCC2=NCCN2 Amb17075358 [2,0,0,0,0,0|1,0,0]=3 43 B15R2.562 Cc1ccccc1CCC2=NCCN2 Amb8496573 [2,0,0,0,0,0|1,0,0]=3 44 B15R2.562 Cc1ccccc1CSC2=NCCN2 Amb1485630 [2,0,0,0,0,0|2,0,0]=4 45 B15R2.562 Cc1ccccc1CSC2=NCCN2 Amb17760664 [2,0,0,0,0,0|2,0,0]=4 46 B15R2.562 Cc1ccccc1OCC2=NCCN2 Amb17075350 [2,0,0,0,0,0|0,0,0]=2 47 B15R2.562 Cc1ccccc1OCC2CCCN2 Amb26856138 [2,0,0,0,0,0|1,0,1]=4 48 B15R2.562 Cc1ccccc1OCC2CCCN2 Amb32686936 [2,0,0,0,0,0|1,0,1]=4 49 B15R2.562 Cc1ccccc1OC[C@@H]2CCCN2 Amb17051824 [2,0,0,0,0,0|1,0,1]=4 50 B15R2.562 Cc1ccccc1OC[C@H]2CCCN2 Amb28384109 [2,0,0,0,0,0|1,0,1]=4 51 B15R2.562 Clc1ccccc1CCC2=NCCN2 Amb8496574 [2,0,0,0,0,0|2,0,0]=4 52 B15R2.562 Clc1ccccc1OCC2=NCCN2 Amb17075355 [2,0,0,0,0,0|1,0,0]=3 53 B15R2.562 Fc1ccccc1CCC2=NCCN2 Amb18565096 [2,0,0,0,0,0|2,0,0]=4 54 B15R2.562 Fc1ccccc1OCC2=NCCN2 Amb17075353 [2,0,0,0,0,0|1,0,0]=3 55 B15R2.562 Fc1ccccc1SCC2=NCCN2 Amb27630302 [2,0,0,0,0,0|1,1,0]=4 56 B15R2.562 Nc1ccccc1OCC2=NCCN2 Amb27830939 [2,0,0,0,0,0|1,0,0]=3 57 B15R2.562 Oc1ccccc1CCC2=NCCN2 Amb28346499 [2,0,0,0,0,0|2,0,0]=4 58 B17R1.4132 Cc1ccc(C(C)C)c(OCCNCCO)c1 Amb17144722 [0,1,1,0,0,0|1,0,1]=4 59 B17R1.4156 CC(C)(C)c1ccccc1OCCNCCO Amb17144721 [0,1,1,0,0,0|1,0,1]=4 60 B17R1.7901 CCCNCCCOc1ccccc1C(C)C Amb7798633 [0,1,1,0,0,0|1,0,1]=4 61 B17R1.4839 CCOC(=O)COc1cc(C)ccc1C(C)C Amb6551132 [0,1,1,0,0,0|2,0,0]=4 62 B17R2.10450 COc1cc(C)ccc1OCC2=NCCN2 Amb17075389 [1,1,0,0,0,0|1,0,0]=3 63 B17R2.3266 CC1CSC(Nc2ccccc2C(C)C)=N1 Amb9702692 [0,1,0,0,1,0|2,0,0]=4 64 B17R2.10073 CC(C)(C)c1ccccc1CC2CCCN2 Amb33172108 [0,1,0,0,1,0|1,0,1]=4 65 B19R2.20616 CC(C)(C)c1ccccc1OCC2CCCNC2 Amb6666521 [0,1,0,0,0,1|1,0,1]=4 66 B19R2.20616 CC(C)(C)c1ccccc1OCC2CNCCO2 Amb5733318 [0,1,0,0,0,1|1,0,1]=4 67 B19R2.217848 CC(C)c1ccccc1OCc2nnc(S)n2C Amb1897117 [0,2,0,0,0,0|1,0,1]=4 68 B19R2.62010 Cc1cccc(C(C)(C)C)c1OC[C@@H]2CCCN2 Amb17051870 [0,2,0,0,0,0|1,0,1]=4 69 B19R2.103346 Cc1ccc(OC[C@@H]2CCCN2)c(C(C)(C)C)c1 Amb17051872 [0,2,0,0,0,0|1,0,1]=4 70 B19R2.103463 Cc1ccc(C(C)(C)C)c(OC[C@@H]2CCCN2)c1 Amb17051871 [0,2,0,0,0,0|1,0,1]=4 71 B17R2.5618 CC(C)c1ccccc1OC2CCCNC2 Amb10844699 [0,0,1,1,0,0|1,0,1]=4 72 B17R2.32746 CC(C)c1cccc2c1OCCC2CCN Amb17243959 [0,0,1,1,0,0|1,0,1]=4 73 B17R3.1917 c1ccc2c(c1)OCC(C3=NCCN3)O2 Amb8629446 [1,0,0,1,0,0|1,0,0]=3 74 B17R3.1919 c1ccc(C2CC2)c(CC3CCCN3)c1 Amb33171553 [0,0,0,1,1,0|1,0,1]=4 75 B15R2.123 CCc1ccccc1CC2CCCN2 Amb25681970 [1,0,0,0,1,0|1,0,1]=4 76 B15R2.123 CCc1ccccc1NC2=NCCN2 Amb26855801 [1,0,0,0,1,0|1,0,0]=3 77 B15R2.123 COc1ccccc1CC2=NCCN2 Amb18564750 [1,0,0,0,1,0|1,0,0]=3 78 B15R2.1221 CC(C)c1ccccc1C2CCCN2 Amb3964106 [0,0,0,0,2,0|1,0,1]=4 79 B15R2.1221 CC(O)c1ccccc1C2=NCCO2 Amb27777030 [0,0,0,0,2,0|2,0,0]=4 80 B15R2.1221 CN(C)c1ncccc1C2=NCCN2 Amb17578536 [0,0,0,0,2,0|2,0,0]=4 81 B15R2.16320 CN(C)c1ccccc1CC2CCN2 Amb27202091 [0,0,0,0,2,0|1,0,1]=4 82 B15R2.16319 CC(C)c1ccccc1NCC2CC2 Amb2383325 [0,0,0,0,2,0|1,0,1]=4 83 B15R2.16319 CC(C)c1ccccc1OCC2CO2 Amb1105717 [0,0,0,0,2,0|1,0,1]=4 84 B17R2.262 CCc1ccccc1OCC2CCCNC2 Amb17051884 [1,0,0,0,0,1|1,0,1]=4 85 B17R2.262 CCc1ccccc1OCC2CNCCO2 Amb5733295 [1,0,0,0,0,1|1,0,1]=4 86 B17R2.262 CCc1ccccc1OCC2COCCN2 Amb18068729 [1,0,0,0,0,1|1,0,1]=4 87 B17R2.262 CCc1ccccc1OCC2CSCCN2 Amb18071267 [1,0,0,0,0,1|1,0,1]=4 88 B17R2.5660 CC(C)c1cccc(OCC2=NCCN2)c1 Amb17075367 [0,0,0,0,1,1|0,0,0]=2 89 B17R2.5660 CC(C)c1cccc(OC[C@@H]2CCCN2)c1 Amb17051845 [0,0,0,0,1,1|1,0,1]=4 90 B17R2.5660 CN(C)c1cccc(OCC2=NCCN2)c1 Amb17075387 [0,0,0,0,1,1|1,0,0]=3