0 B14R1.684 CC(C)(C)CCN1C=CC(=O)C(N)=C1 Amb27189312 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.684 CC(C)(C)CCc1ncc(Br)c(F)n1 Amb35642336 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.684 CC(C)(C)CCc1ncc(I)c(F)n1 Amb35634398 [0,0,0,0,0,0|4,0,0]=4 3 B14R1.684 CC(C)(C)CCc1ncc(I)c(N)n1 Amb27482362 [0,0,0,0,0,0|4,0,0]=4 4 B14R1.684 CC(C)(C)CNc1cc(O)c(Br)cn1 Amb28140549 [0,0,0,0,0,0|3,0,0]=3 5 B14R1.684 CC(C)(N)CCc1ccc(O)c(O)c1 Amb33380329 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.684 Cc1cc(CCC(C)(C)C)ccc1N Amb27786710 [0,0,0,0,0,0|4,0,0]=4 7 B14R1.684 Cc1ccc(CCC(C)(C)N)cc1O Amb33428246 [0,0,0,0,0,0|4,0,0]=4 8 B14R1.684 Cc1ccc(OCC(C)(C)C)cc1O Amb24116389 [0,0,0,0,0,0|4,0,0]=4 9 B14R1.684 Cc1nc(CCC(C)(C)C)ncc1N Amb27880130 [0,0,0,0,0,0|4,0,0]=4 10 B13R1.511 Cc1cc(CCC(C)C)ncc1N Amb25369850 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.511 Cc1cnc(CCC(C)C)cc1N Amb26483090 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.511 O=C(O)CCC1=NNC(=O)C(O)=C1 Amb28453479 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.512 CC(C)(C)CCN1C=CC(=O)C=C1 Amb27413237 [1,0,0,0,0,0|3,0,0]=4 14 B13R1.512 CC(C)(C)CCc1ccc(N)cc1 Amb25362073 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.512 CC(C)(C)CNc1ccc(Cl)cn1 Amb18290486 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.512 CC(C)(C)CNc1ccc(F)cn1 Amb18975420 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.512 CC(C)(C)CNc1ccc(N)cn1 Amb18972992 [1,0,0,0,0,0|3,0,0]=4 18 B13R1.512 CC(C)(C)CNc1ccc(N)nn1 Amb28348237 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.512 CC(C)(C)COc1ccc(Br)cn1 Amb26953527 [1,0,0,0,0,0|3,0,0]=4 20 B13R1.512 CC(C)(C)COc1ccc(N)cn1 Amb25101454 [1,0,0,0,0,0|3,0,0]=4 21 B13R1.512 CC(C)(C)NCc1ccc(Br)cn1 Amb18302413 [1,0,0,0,0,0|3,0,0]=4 22 B13R1.512 CC(C)(C)NCc1ccc(O)cn1 Amb28341501 [1,0,0,0,0,0|2,0,1]=4 23 B13R1.512 CC(C)(C)OCc1ccc(Br)cn1 Amb28143898 [1,0,0,0,0,0|3,0,0]=4 24 B13R1.512 CC(C)(C)OCc1ccc(N)cn1 Amb29876767 [1,0,0,0,0,0|3,0,0]=4 25 B13R1.512 CC(C)(C)SCc1ccc(Cl)cn1 Amb28291698 [1,0,0,0,0,0|3,0,0]=4 26 B13R1.512 CC(C)(C)SCc1ccc(Cl)nn1 Amb27850538 [1,0,0,0,0,0|2,0,1]=4 27 B13R1.512 CC(C)(C)SCc1ccc(N)cn1 Amb35588769 [1,0,0,0,0,0|3,0,0]=4 28 B13R1.512 CC(C)(N)CCc1ccc(Br)cn1 Amb29855475 [1,0,0,0,0,0|3,0,0]=4 29 B13R1.512 CC(C)(N)CCc1ccc(F)cn1 Amb33315856 [1,0,0,0,0,0|3,0,0]=4 30 B13R1.512 CC(C)(O)CCc1ccc(Br)cn1 Amb27201770 [1,0,0,0,0,0|3,0,0]=4 31 B13R1.512 Cc1ccc(CCC(C)(C)N)nc1 Amb24544919 [1,0,0,0,0,0|3,0,0]=4 32 B13R1.512 Cc1ccc(NCC(C)(C)C)nc1 Amb18290482 [1,0,0,0,0,0|3,0,0]=4 33 B13R1.512 Cc1ccc(NCC(C)(C)C)nn1 Amb18975380 [1,0,0,0,0,0|2,0,1]=4 34 B13R1.838 CC(C)(C)CCC1=CC(O)CNC1 Amb32989205 [1,0,0,0,0,0|1,0,2]=4 35 B13R1.838 CC(C)(C)CCC1=NC=CC(=S)N1 Amb28145152 [1,0,0,0,0,0|2,1,0]=4 36 B13R1.838 CC(C)(C)CCc1nccc(F)n1 Amb35653619 [1,0,0,0,0,0|3,0,0]=4 37 B13R1.838 CC(C)(C)CNc1cc(Br)ccn1 Amb27632216 [1,0,0,0,0,0|3,0,0]=4 38 B13R1.838 CC(C)(C)CNc1cc(Cl)cnn1 Amb27220503 [1,0,0,0,0,0|2,0,1]=4 39 B13R1.838 CC(C)(C)CNc1cccc(O)c1 Amb18291327 [1,0,0,0,0,0|3,0,0]=4 40 B13R1.838 CC(C)(C)COc1cccc(O)c1 Amb24702640 [1,0,0,0,0,0|3,0,0]=4 41 B13R1.838 CC(C)(C)NCc1cccc(O)c1 Amb1136082 [1,0,0,0,0,0|3,0,0]=4 42 B13R1.838 CC(C)(C)OCc1cccc(O)c1 Amb28122359 [1,0,0,0,0,0|3,0,0]=4 43 B13R1.838 CC(C)(C)SCc1cc(N)ccn1 Amb27404804 [1,0,0,0,0,0|3,0,0]=4 44 B13R1.838 CC(C)(N)CCc1cc(F)ccn1 Amb33320297 [1,0,0,0,0,0|3,0,0]=4 45 B13R1.838 CC(C)(N)CCc1cccc(O)c1 Amb25375867 [1,0,0,0,0,0|3,0,0]=4 46 B13R1.838 Cc1ccnc(CCC(C)(C)N)c1 Amb33318113 [1,0,0,0,0,0|3,0,0]=4 47 B15R1.8399 CC(C)(C)CCN1C=C(I)C(=O)NC1=O Amb27869541 [0,1,0,0,0,0|3,0,0]=4 48 B15R1.8399 CC(C)(C)CCN1C=C(N)C(=O)NC1=O Amb32699406 [0,1,0,0,0,0|3,0,0]=4 49 B13R1.518 CC(C)(C)CC1=CC(=O)C(=O)C=C1 Amb27828837 [0,0,0,0,1,0|2,0,1]=4 50 B13R1.518 CC(C)(C)Cc1ccc(O)c(O)c1 Amb28126657 [0,0,0,0,1,0|2,0,1]=4 51 B13R1.3442 CC(C)(C)CCn1cc(Br)c(N)n1 Amb18292418 [0,0,0,0,1,0|3,0,0]=4 52 B13R1.3442 CC(C)(C)CCn1cc(Cl)c(N)n1 Amb24434398 [0,0,0,0,1,0|3,0,0]=4 53 B13R1.3442 CC(C)(C)CNC1=NC(=O)C(=O)N1 Amb27662802 [0,0,0,0,1,0|2,0,1]=4 54 B13R1.3442 CC1N=C(CCC(C)(C)C)NC1=O Amb27167440 [0,0,0,0,1,0|2,0,1]=4 55 B13R1.3442 Cc1cn(CCC(C)(C)C)nc1N Amb28070516 [0,0,0,0,1,0|3,0,0]=4 56 B13R1.3442 Cc1nn(CCC(C)(C)C)cc1N Amb32706643 [0,0,0,0,1,0|3,0,0]=4 57 B13R1.3442 Cn1nc(CCC(C)(C)C)cc1N Amb24371707 [0,0,0,0,1,0|3,0,0]=4 58 B15R1.887 Cc1cc(NCCC(C)(C)C)ncc1Br Amb28056780 [0,0,0,0,0,1|3,0,0]=4 59 B12R1.21 CC(C)CCc1ccc(N)cn1 Amb18828680 [2,0,0,0,0,0|2,0,0]=4 60 B12R1.21 CC(C)CCc1ccc(N)nn1 Amb18828200 [2,0,0,0,0,0|1,0,1]=4 61 B12R1.226 CC(C)CCc1cc(N)ccn1 Amb25876673 [2,0,0,0,0,0|2,0,0]=4 62 B12R1.226 CC(C)CNc1cc(O)ccn1 Amb27808781 [2,0,0,0,0,0|2,0,0]=4 63 B12R1.891 CC(C)(C)CCc1ccccc1 Amb24470690 [2,0,0,0,0,0|2,0,0]=4 64 B12R1.891 CC(C)(C)CNc1ccccn1 Amb28555707 [2,0,0,0,0,0|2,0,0]=4 65 B12R1.891 CC(C)(C)NCc1ccccn1 Amb5262442 [2,0,0,0,0,0|2,0,0]=4 66 B12R1.891 CC(C)(C)NCc1ccccn1 Amb6868315 [2,0,0,0,0,0|2,0,0]=4 67 B12R1.891 CC(C)(C)SCc1ccccn1 Amb24673535 [2,0,0,0,0,0|2,0,0]=4 68 B12R1.891 CC(C)(N)CCc1ccccn1 Amb18563642 [2,0,0,0,0,0|2,0,0]=4 69 B12R1.891 CC(C)(O)CCc1ccccn1 Amb31176214 [2,0,0,0,0,0|2,0,0]=4 70 B12R1.891 C[N+](C)(C)CCc1ccccn1 Amb28344490 [2,0,0,0,0,0|2,0,0]=4 71 B14R1.293 CCC(C)(C)CNC1=CNC(=O)C=C1 Amb27967008 [1,1,0,0,0,0|2,0,0]=4 72 B14R1.683 CC(C)(C)C[C@@H](N)c1ccc(F)cn1 Amb27611890 [1,1,0,0,0,0|2,0,0]=4 73 B14R1.683 CC(C)(C)C[C@@H](N)c1ccc(N)cn1 Amb27490893 [1,1,0,0,0,0|2,0,0]=4 74 B14R1.683 CC(C)(C)C[C@H](N)c1ccc(Cl)cn1 Amb27600737 [1,1,0,0,0,0|2,0,0]=4 75 B14R1.683 CC(C)(C)OC(=O)C1=NNC(=O)C=C1 Amb21961781 [1,1,0,0,0,0|1,0,1]=4 76 B14R1.700 CC(NC1=CNC(=O)C=C1)C(C)(C)C Amb30010709 [1,1,0,0,0,0|2,0,0]=4 77 B14R1.2162 COc1ccnc(CCC(C)(C)N)c1 Amb33418126 [1,1,0,0,0,0|2,0,0]=4 78 B14R1.4405 CC(C)(C)C(N)Cc1cccc(O)c1 Amb27668300 [1,1,0,0,0,0|2,0,0]=4 79 B14R1.5966 CC(C)(C)CC(N)c1cc(N)ccn1 Amb28288492 [1,1,0,0,0,0|2,0,0]=4 80 B14R1.5966 CC(C)(C)C[C@@H](N)c1cccc(O)c1 Amb27174473 [1,1,0,0,0,0|2,0,0]=4 81 B14R1.5966 CC(C)(C)C[C@H](N)c1cc(N)ccn1 Amb27221678 [1,1,0,0,0,0|2,0,0]=4 82 B14R1.6073 CC(C)(C)CCc1cc(O)ccc1I Amb27172189 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.8239 CC1=CC2=C(CC(C)CC2)NC1=O Amb18038533 [1,0,0,1,0,0|2,0,0]=4 84 B14R2.4491 CC1(C)CCC2=NNC(=O)C=C2C1 Amb27451487 [1,0,0,1,0,0|0,0,0]=2 85 B14R2.4491 CC1(C)CCc2ncc(N)cc2C1 Amb18196567 [1,0,0,1,0,0|2,0,0]=4 86 B14R2.4491 O=C1C=C2CC(F)(F)CCC2=NN1 Amb30027954 [1,0,0,1,0,0|2,0,0]=4 87 B16R2.36437 CC1(C)CCC2=C(C1)NC(=O)C(C#N)=C2 Amb22170532 [0,1,0,1,0,0|2,0,0]=4 88 B12R1.870 CC(C)CCC1=C(O)C(=O)CC1 Amb27261930 [1,0,0,0,1,0|2,0,0]=4 89 B12R1.106 CC(C)(C)Cc1ccc(Cl)nn1 Amb27953181 [1,0,0,0,1,0|1,0,1]=4 90 B12R1.106 CC(C)(C)Cc1ccc(N)nn1 Amb18828201 [1,0,0,0,1,0|1,0,1]=4 91 B12R1.106 CC(C)(C)Cc1ccc(O)cn1 Amb10554037 [1,0,0,0,1,0|1,0,1]=4 92 B12R1.106 C[Si](C)(C)OC1=NNC(=O)C=C1 Amb27445772 [1,0,0,0,1,0|1,1,0]=4 93 B12R1.836 CC(C)(C)CCC1=NNC(=O)O1 Amb28318920 [1,0,0,0,1,0|1,0,0]=3 94 B12R1.836 CC(C)(C)CCc1nc(O)cs1 Amb27796944 [1,0,0,0,1,0|1,0,1]=4 95 B12R1.836 CC(C)(C)CCn1ccc(I)n1 Amb27593778 [1,0,0,0,1,0|2,0,0]=4 96 B12R1.836 CC(C)(C)CCn1ccc(N)n1 Amb18292416 [1,0,0,0,1,0|2,0,0]=4 97 B12R1.836 CC(C)(C)CNC1=NNC(=O)S1 Amb27457534 [1,0,0,0,1,0|2,0,0]=4 98 B12R1.836 Cc1csc(CCC(C)(C)C)n1 Amb27474327 [1,0,0,0,1,0|2,0,0]=4 99 B14R1.131 CC(C)(C)CCNc1ccc(Br)cn1 Amb27606048 [1,0,0,0,0,1|2,0,0]=4 100 B14R1.131 CC(C)(C)CCNc1ccc(Cl)nn1 Amb28410887 [1,0,0,0,0,1|1,0,1]=4 101 B14R1.131 CC(C)(N)CCNC1=CNC(=O)C=C1 Amb28341946 [1,0,0,0,0,1|2,0,0]=4 102 B14R1.131 Cc1ccc(NCCC(C)(C)C)nc1 Amb27641787 [1,0,0,0,0,1|2,0,0]=4 103 B14R1.147 Cc1ccnc(NCCC(C)(C)C)c1 Amb28045200 [1,0,0,0,0,1|2,0,0]=4