0 B16R2.2829 CC(CC1CC(=O)CO1)c2ccccc2 Amb35726624 [0,0,0,0,0,0|4,0,0]=4 1 B16R2.2829 CC(Cc1nnc(N)s1)c2ccccc2 Amb836477 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.2829 CC(Cn1cc(N)cn1)c2ccccc2 Amb19890569 [0,0,0,0,0,0|4,0,0]=4 3 B16R2.2829 CC(Cn1cc(N)nn1)c2ccccc2 Amb32708106 [0,0,0,0,0,0|4,0,0]=4 4 B16R2.2829 CC(Cn1ccc(I)n1)c2ccccc2 Amb28199675 [0,0,0,0,0,0|3,0,1]=4 5 B16R2.2829 CC(Cn1ccc(N)n1)c2ccccc2 Amb20674793 [0,0,0,0,0,0|2,0,1]=3 6 B16R2.2829 CC(Cn1ccc(N)n1)c2ccccn2 Amb32706314 [0,0,0,0,0,0|3,0,1]=4 7 B16R2.2829 CC(Cn1cnc(N)n1)c2ccccc2 Amb32704319 [0,0,0,0,0,0|2,0,1]=3 8 B16R2.2829 CC(Cn1cnc(N)n1)c2ccccn2 Amb32706316 [0,0,0,0,0,0|3,0,1]=4 9 B16R2.2829 CC(Cn1ncc(N)n1)c2ccccc2 Amb32702666 [0,0,0,0,0,0|3,0,0]=3 10 B16R2.2829 CC(Cn1ncc(N)n1)c2ccccn2 Amb32702792 [0,0,0,0,0,0|4,0,0]=4 11 B15R2.283 NC1=NC(CSc2ccccc2)CO1 Amb27784910 [1,0,0,0,0,0|1,0,0]=2 12 B15R2.283 NC1=NCC(CCc2ccccc2)O1 Amb27746954 [1,0,0,0,0,0|2,0,0]=3 13 B15R2.283 NC1=NCC(CSc2ccccc2)O1 Amb17595588 [1,0,0,0,0,0|3,0,0]=4 14 B15R2.283 NC1=N[C@@H](CCc2ccccc2)CO1 Amb27969242 [1,0,0,0,0,0|0,0,0]=1 15 B15R2.283 NC1=N[C@H](CCc2ccccc2)CO1 Amb27879567 [1,0,0,0,0,0|0,0,0]=1 16 B15R2.283 NC1=N[C@H](CCc2ccccn2)CS1 Amb27950924 [1,0,0,0,0,0|1,1,0]=3 17 B15R2.283 NC1=N[C@H](CCc2cccnc2)CS1 Amb27868556 [1,0,0,0,0,0|1,1,0]=3 18 B15R2.283 NC1=N[C@H](COc2ccccc2)CO1 Amb27464440 [1,0,0,0,0,0|1,0,0]=2 19 B15R2.283 Nc1c[n+](CCc2ccccc2)no1 Amb19650266 [1,0,0,0,0,0|3,0,0]=4 20 B15R2.283 Nc1cc(CCc2ccccc2)no1 Amb33529147 [1,0,0,0,0,0|2,0,1]=4 21 B15R2.283 Nc1ccn(CCc2ccccc2)n1 Amb7173304 [1,0,0,0,0,0|2,0,1]=4 22 B15R2.283 Nc1cnn(CCc2ccccc2)n1 Amb32702378 [1,0,0,0,0,0|3,0,0]=4 23 B15R2.283 Nc1csc(CCc2ccccc2)n1 Amb28341882 [1,0,0,0,0,0|2,0,1]=4 24 B15R2.283 Nc1nc(CCc2ccccc2)cs1 Amb17238165 [1,0,0,0,0,0|0,1,2]=4 25 B15R2.283 Nc1nc(CCc2ccccc2)ns1 Amb18292122 [1,0,0,0,0,0|1,1,1]=4 26 B15R2.283 Nc1nc(CCc2ccccn2)no1 Amb35722902 [1,0,0,0,0,0|2,0,1]=4 27 B15R2.283 Nc1nc(COc2ccccc2)no1 Amb18995138 [1,0,0,0,0,0|2,0,1]=4 28 B15R2.283 Nc1nc(NCc2ccccc2)no1 Amb27968590 [1,0,0,0,0,0|2,0,1]=4 29 B15R2.283 Nc1ncn(CCc2ccccc2)n1 Amb19747703 [1,0,0,0,0,0|2,0,1]=4 30 B15R2.283 O=C1CC(CCc2ccccc2)CN1 Amb26954493 [1,0,0,0,0,0|3,0,0]=4 31 B15R2.283 O=C1CCC(CCc2ccccc2)C1 Amb28124539 [1,0,0,0,0,0|3,0,0]=4 32 B15R2.283 O=C1CCC(CCc2ccccc2)N1 Amb27596663 [1,0,0,0,0,0|2,0,1]=4 33 B15R2.283 O=C1NC(CCc2ccccc2)CO1 Amb25217512 [1,0,0,0,0,0|1,0,1]=3 34 B15R2.283 O=C1NCC(CCc2ccccc2)O1 Amb27662552 [1,0,0,0,0,0|3,0,0]=4 35 B15R2.283 O=C1OCC(CNc2ccccc2)O1 Amb28137905 [1,0,0,0,0,0|3,0,0]=4 36 B15R2.283 S=C1NC(CCc2ccccc2)CO1 Amb28241411 [1,0,0,0,0,0|1,0,1]=3 37 B15R2.283 S=C1NCC(CCc2ccccc2)O1 Amb28046293 [1,0,0,0,0,0|3,0,0]=4 38 B15R2.283 Sc1nc(CCc2ccccc2)no1 Amb27419282 [1,0,0,0,0,0|2,0,1]=4 39 B15R2.1259 CC(CC1CCCN1)c2ccccc2 Amb26936209 [1,0,0,0,0,0|1,0,2]=4 40 B15R2.1259 CC(CC1CCNC1)c2ccccc2 Amb21959203 [1,0,0,0,0,0|2,0,1]=4 41 B15R2.1259 CC(Cn1cccn1)c2ccccc2 Amb27455219 [1,0,0,0,0,0|2,0,1]=4 42 B15R2.1259 CC(Cn1cncn1)c2ccccc2 Amb27444398 [1,0,0,0,0,0|2,0,1]=4 43 B15R2.1259 CC(NC1C=CCC1)c2ccccc2 Amb27760173 [1,0,0,0,0,0|3,0,0]=4 44 B15R2.1259 CC(NC1CC=CC1)c2ccccc2 Amb28065505 [1,0,0,0,0,0|3,0,0]=4 45 B15R2.1259 ClC(CC1CCOC1)c2ccccc2 Amb27960036 [1,0,0,0,0,0|2,0,1]=4 46 B15R2.1259 NC(CC1CC=CC1)c2ccccc2 Amb35645234 [1,0,0,0,0,0|3,0,0]=4 47 B15R2.1259 NC(CC1CCOC1)c2ccccc2 Amb18995894 [1,0,0,0,0,0|2,0,1]=4 48 B15R2.1259 OC(CC1CC=CC1)c2ccccc2 Amb35609856 [1,0,0,0,0,0|3,0,0]=4 49 B15R2.1259 OC(CC1CCOC1)c2ccccc2 Amb33541936 [1,0,0,0,0,0|2,0,1]=4 50 B17R2.6039 CCN(C[C@H]1COC(N)=N1)c2ccccc2 Amb33863359 [0,1,0,0,0,0|1,0,0]=2 51 B15R1.497 CN(CCCNC(N)=S)c1ccccc1 Amb9212110 [0,0,1,0,0,0|3,0,0]=4 52 B15R1.959 COC(=O)CCCC(N)c1ccccc1 Amb32653382 [0,0,1,0,0,0|3,0,0]=4 53 B15R1.959 COC(=O)CCCC(N)c1ccccc1 Amb33552526 [0,0,1,0,0,0|3,0,0]=4 54 B15R1.959 COC(=O)CCCC(O)c1ccccc1 Amb18627401 [0,0,1,0,0,0|3,0,0]=4 55 B15R1.959 COC(=O)CCNC(C)c1ccccc1 Amb22586709 [0,0,1,0,0,0|3,0,0]=4 56 B15R1.959 COC(=O)CCNC(C)c1ccccc1 Amb842474 [0,0,1,0,0,0|3,0,0]=4 57 B17R3.2379 O=C1CCC(C2CC2c3ccccc3)C1 Amb28041255 [0,0,0,1,0,0|3,0,0]=4 58 B17R3.2396 Nc1ccn(CC2Cc3ccccc32)n1 Amb33037662 [0,0,0,1,0,0|2,0,1]=4 59 B17R3.2396 Nc1cnn(CC2Cc3ccccc32)n1 Amb32702540 [0,0,0,1,0,0|3,0,0]=4 60 B17R3.2396 Nc1ncn(CC2Cc3ccccc32)n1 Amb33037665 [0,0,0,1,0,0|2,0,1]=4 61 B17R3.54900 O=C1CCC2(CC(c3ccccc3)C2)O1 Amb35671786 [0,0,0,1,0,0|3,0,0]=4 62 B15R2.297 CC(c1ccccc1)C2CNC(=O)C2 Amb25067874 [0,0,0,0,1,0|3,0,0]=4 63 B15R2.297 CC(c1ccccc1)C2CNC(=O)O2 Amb25037772 [0,0,0,0,1,0|3,0,0]=4 64 B15R2.297 CC(c1ccccc1)C2COC(=O)N2 Amb26311941 [0,0,0,0,1,0|1,0,1]=3 65 B15R2.297 CC(c1ccccc1)C2COC(N)=N2 Amb27747068 [0,0,0,0,1,0|0,0,0]=1 66 B15R2.297 CC(c1ccccc1)c2cc(N)on2 Amb33082131 [0,0,0,0,1,0|2,0,1]=4 67 B15R2.297 CC(c1ccccc1)c2csc(N)n2 Amb27868102 [0,0,0,0,1,0|0,1,2]=4 68 B15R2.297 CC(c1ccccc1)c2nc(N)cs2 Amb29852227 [0,0,0,0,1,0|2,0,1]=4 69 B15R2.297 CC(c1ccccc1)c2nc(N)no2 Amb27473118 [0,0,0,0,1,0|2,0,1]=4 70 B15R2.297 CC(c1ccccc1)c2noc(Cl)n2 Amb35711308 [0,0,0,0,1,0|2,0,1]=4 71 B15R2.297 CC(c1ccccc1)c2noc(N)n2 Amb35715678 [0,0,0,0,1,0|1,0,1]=3 72 B15R2.297 CC(c1ccccc1)c2noc(S)n2 Amb29867926 [0,0,0,0,1,0|2,0,1]=4 73 B15R2.297 CC(c1ccccc1)c2nsc(N)n2 Amb35680930 [0,0,0,0,1,0|1,1,1]=4 74 B15R2.297 CC(c1ccccc1)n2ccc(N)n2 Amb33545313 [0,0,0,0,1,0|2,0,1]=4 75 B15R2.297 CC(c1ccccc1)n2cnc(N)n2 Amb25224994 [0,0,0,0,1,0|2,0,1]=4 76 B15R2.297 CC(c1ccccc1)n2ncc(N)n2 Amb18820897 [0,0,0,0,1,0|3,0,0]=4 77 B15R2.297 CN(c1ccccc1)c2noc(N)n2 Amb18650465 [0,0,0,0,1,0|2,0,1]=4 78 B15R2.297 Cc1nc(C(C)c2ccccc2)no1 Amb26482877 [0,0,0,0,1,0|2,0,1]=4 79 B15R2.297 N[C@@H](c1ccccc1)[C@@H]2COC(=O)N2 Amb27419865 [0,0,0,0,1,0|2,0,1]=4 80 B15R2.297 N[C@H](c1ccccc1)[C@@H]2COC(=O)N2 Amb27419863 [0,0,0,0,1,0|2,0,1]=4 81 B15R2.297 O=C1NC(C(Cl)c2ccccc2)CO1 Amb28068885 [0,0,0,0,1,0|2,0,1]=4 82 B15R2.297 O=C1N[C@H](C(O)c2ccccc2)CO1 Amb28408797 [0,0,0,0,1,0|2,0,1]=4 83 B15R2.297 O=C1N[C@H]([C@@H](Cl)c2ccccc2)CO1 Amb27636941 [0,0,0,0,1,0|2,0,1]=4 84 B15R2.297 O=C1N[C@H]([C@H](Cl)c2ccccc2)CO1 Amb28053687 [0,0,0,0,1,0|2,0,1]=4 85 B15R2.612 CC(CN1CC(N)C1)c2ccccc2 Amb28047472 [0,0,0,0,1,0|2,0,1]=4 86 B15R2.612 CC(NC1CC(N)C1)c2ccccc2 Amb27243454 [0,0,0,0,1,0|2,0,1]=4 87 B15R2.612 CC(OC1CC(=O)C1)c2ccccc2 Amb27480402 [0,0,0,0,1,0|3,0,0]=4 88 B15R2.612 CN(CC1CC(N)C1)c2ccccc2 Amb30040065 [0,0,0,0,1,0|2,0,1]=4 89 B15R2.612 CN(C[C@H]1C[C@@H](N)C1)c2ccccc2 Amb29885372 [0,0,0,0,1,0|2,0,1]=4 90 B15R2.612 CN(C[C@H]1C[C@H](N)C1)c2ccccc2 Amb29880316 [0,0,0,0,1,0|2,0,1]=4 91 B15R2.1130 CC(CC1CCC1N)c2ccccc2 Amb27422699 [0,0,0,0,1,0|1,0,1]=3 92 B17R2.3241 CC(NC[C@@H]1CC[C@H](N)C1)c2ccccc2 Amb33071897 [0,0,0,0,0,1|2,0,1]=4 93 B17R2.3241 CC(NCc1csc(N)n1)c2ccccc2 Amb18870015 [0,0,0,0,0,1|0,1,2]=4 94 B14R1.422 N=C(N)NCCCCc1ccccc1 Amb32412066 [1,0,1,0,0,0|1,0,0]=3 95 B14R1.422 N=C(N)NCCOCc1ccccc1 Amb28255031 [1,0,1,0,0,0|2,0,0]=4 96 B14R1.422 N=C(N)NNCCCc1ccccc1 Amb24064219 [1,0,1,0,0,0|2,0,0]=4 97 B14R1.422 N=C(N)SCCCOc1ccccc1 Amb20675993 [1,0,1,0,0,0|1,1,0]=4 98 B14R1.422 N=C(N)SCCNCc1ccccc1 Amb27446566 [1,0,1,0,0,0|1,1,0]=4 99 B14R1.422 NC(=O)OCCNCc1ccccc1 Amb28145444 [1,0,1,0,0,0|2,0,0]=4 100 B14R1.420 CC(CCCC(=O)O)c1ccccc1 Amb17844447 [1,0,1,0,0,0|2,0,0]=4 101 B14R1.420 CC(CCNC(N)=O)c1ccccc1 Amb19074031 [1,0,1,0,0,0|0,0,2]=4 102 B14R1.716 COC(=O)CCCCc1ccccc1 Amb8392132 [1,0,1,0,0,0|2,0,0]=4 103 B14R1.818 CC(CCc1ccccc1)CC(=O)O Amb6749216 [1,0,1,0,0,0|2,0,0]=4 104 B14R1.818 CC(CCc1ccccc1)NC(=N)N Amb19073485 [1,0,1,0,0,0|1,0,1]=4 105 B14R2.101 c1ccc(CCc2ncon2)cc1 Amb27951724 [2,0,0,0,0,0|1,0,1]=4 106 B16R2.137 O=C1NC(CCc2ccc(Br)cc2)CO1 Amb33334086 [1,1,0,0,0,0|1,0,1]=4 107 B16R2.137 O=C1NC(CCc2ccc(F)cc2)CO1 Amb33319343 [1,1,0,0,0,0|1,0,1]=4 108 B16R2.258 O=C1NC(CCc2cccc(Br)c2)CO1 Amb33433767 [1,1,0,0,0,0|1,0,1]=4 109 B16R2.2334 NCc1nc(CCc2ccccc2)no1 Amb19015873 [1,1,0,0,0,0|1,0,1]=4 110 B16R2.3014 CC(CC1COCC1=O)c2ccccc2 Amb35608496 [1,1,0,0,0,0|1,0,1]=4 111 B16R2.3014 CC(CC1COCC1Br)c2ccccc2 Amb35736922 [1,1,0,0,0,0|1,0,1]=4 112 B16R2.3014 CC(CC1COCC1Cl)c2ccccc2 Amb35589972 [1,1,0,0,0,0|1,0,1]=4 113 B16R2.121 CC(c1ccc(F)cc1)C2COC(=O)N2 Amb33424083 [0,1,0,0,1,0|1,0,1]=4 114 B16R2.2353 CC(c1ccccc1)c2noc(CN)n2 Amb32454376 [0,1,0,0,1,0|1,0,1]=4 115 B16R2.2834 CC(C)(c1ccccc1)C2COC(=O)N2 Amb33176142 [0,1,0,0,1,0|1,0,1]=4 116 B16R2.37734 COC1=NCCC(c2ccccc2)CC1 Amb33218469 [0,0,1,1,0,0|1,0,0]=3 117 B16R3.335 O=C1C[C@@H]2CCc3ccccc3[C@H]2O1 Amb28463677 [1,0,0,1,0,0|2,0,0]=4 118 B16R3.335 [C@@H]12CCc3ccccc3[C@@H]1OC(=O)C2 Amb17778862 [1,0,0,1,0,0|2,0,0]=4 119 B16R3.2022 Nc1nc(C2Cc3ccccc32)no1 Amb27417622 [1,0,0,1,0,0|1,0,1]=4 120 B16R3.10764 O=C1NC2(CCc3ccccc32)CO1 Amb27391879 [1,0,0,1,0,0|1,0,1]=4 121 B16R3.27491 O=C1CC2(CC(c3ccccc3)C2)N1 Amb35671746 [0,0,0,1,1,0|1,0,1]=4 122 B16R3.3385 NC1CCC1C2CC2c3ccccc3 Amb27410133 [0,0,0,1,1,0|1,0,1]=4 123 B16R3.202411 CC1CC2C(=O)NC2c3ccccc31 Amb26336898 [0,0,0,1,1,0|2,0,0]=4 124 B14R1.478 CC(c1ccccc1)C(CO)N=[N+]=[N-] Amb33081875 [0,0,1,0,1,0|1,0,1]=4 125 B14R1.163 COC(=O)CCC(N)c1ccccc1 Amb10610596 [0,0,1,0,1,0|2,0,0]=4 126 B14R1.163 COC(=O)CCC(N)c1ccccc1 Amb19373309 [0,0,1,0,1,0|2,0,0]=4 127 B14R1.163 COC(=O)CNC(C)c1ccccc1 Amb4035922 [0,0,1,0,1,0|2,0,0]=4 128 B14R1.163 COC(=O)CN[C@@H](C)c1ccccc1 Amb34158023 [0,0,1,0,1,0|2,0,0]=4 129 B14R1.415 CC(CC(C)c1ccccc1)C(=O)O Amb32954180 [0,0,1,0,1,0|1,0,0]=3 130 B14R1.415 CC(CC(N)C(=O)O)c1ccccc1 Amb2696732 [0,0,1,0,1,0|2,0,0]=4 131 B14R1.415 CC(CC(N)C(=O)O)c1ccccc1 Amb31156574 [0,0,1,0,1,0|2,0,0]=4 132 B14R1.415 CC(CC(O)C(=O)O)c1ccccc1 Amb18324723 [0,0,1,0,1,0|2,0,0]=4 133 B14R1.415 CC(CN(C)c1ccccc1)C(=O)O Amb17336619 [0,0,1,0,1,0|2,0,0]=4 134 B14R1.415 CC(CN(C)c1ccccc1)C(N)=O Amb17235455 [0,0,1,0,1,0|1,0,1]=4 135 B14R1.415 CC(C[C@@H](C)C(=O)O)c1ccccc1 Amb33749393 [0,0,1,0,1,0|1,0,0]=3 136 B14R1.415 CC(C[C@H](C)C(=O)O)c1ccccc1 Amb33749517 [0,0,1,0,1,0|1,0,0]=3 137 B14R1.415 CC(NC(C)c1ccccc1)C(=O)O Amb17401788 [0,0,1,0,1,0|2,0,0]=4 138 B14R1.415 CC(NC(C)c1ccccc1)C(=O)O Amb24271459 [0,0,1,0,1,0|2,0,0]=4 139 B14R1.415 CC(SC(C)c1ccccc1)C(=O)O Amb17501620 [0,0,1,0,1,0|2,0,0]=4 140 B14R2.19 CC1=NC(Cc2ccccc2)CO1 Amb26964500 [1,0,0,0,1,0|1,0,0]=3 141 B14R2.19 NC1=NC(Cc2ccccc2)CO1 Amb23449444 [1,0,0,0,1,0|0,0,0]=2 142 B14R2.19 NC1=NC(Cc2ccccc2)CS1 Amb27400638 [1,0,0,0,1,0|0,1,0]=3 143 B14R2.19 NC1=NCC(Cc2ccccc2)N1 Amb27800741 [1,0,0,0,1,0|1,0,1]=4 144 B14R2.19 NC1=N[C@H](Cc2ccccc2)CO1 Amb27464486 [1,0,0,0,1,0|0,0,0]=2 145 B14R2.19 Nc1nc(Cc2ccccc2)co1 Amb22499416 [1,0,0,0,1,0|0,0,2]=4 146 B14R2.19 O=C1CC(Cc2ccccc2)CO1 Amb8487117 [1,0,0,0,1,0|2,0,0]=4 147 B14R2.19 O=C1NC(Cc2ccccc2)CO1 Amb9809273 [1,0,0,0,1,0|1,0,1]=4 148 B14R2.19 O=C1N[C@@H](Cc2ccccc2)CO1 Amb2725669 [1,0,0,0,1,0|1,0,1]=4 149 B14R2.19 O=C1N[C@H](Cc2ccccc2)CO1 Amb6357181 [1,0,0,0,1,0|1,0,1]=4 150 B14R2.19 S=C1NC(Cc2ccccc2)CO1 Amb25938312 [1,0,0,0,1,0|1,0,1]=4 151 B14R2.19 S=C1N[C@@H](Cc2ccccc2)CO1 Amb8629174 [1,0,0,0,1,0|1,0,1]=4 152 B14R2.19 S=C1N[C@H](Cc2ccccc2)CO1 Amb8629175 [1,0,0,0,1,0|1,0,1]=4 153 B14R2.436 NC1CC(CCc2ccccc2)C1 Amb27415257 [1,0,0,0,1,0|1,0,1]=4 154 B14R2.436 O=C1CC(CCc2ccccc2)C1 Amb27235487 [1,0,0,0,1,0|2,0,0]=4 155 B14R2.436 O=C1C[C@@H](CCc2ccccc2)N1 Amb27413661 [1,0,0,0,1,0|1,0,1]=4 156 B14R2.436 O=C1C[C@H](CCc2ccccc2)N1 Amb27206618 [1,0,0,0,1,0|1,0,1]=4 157 B14R2.794 CC(CC1CNC1)c2ccccc2 Amb24572490 [1,0,0,0,1,0|1,0,1]=4 158 B16R1.610 CN(CCCCC(=N)N)Cc1ccccc1 Amb27588703 [0,0,1,0,0,1|2,0,0]=4 159 B16R1.610 CN(CCCNC(=N)N)Cc1ccccc1 Amb11198584 [0,0,1,0,0,1|2,0,0]=4 160 B16R2.2832 Nc1nc(CCCc2ccccc2)co1 Amb33129276 [1,0,0,0,0,1|0,0,2]=4 161 B16R2.2832 Nc1nc(COCc2ccccc2)no1 Amb27666114 [1,0,0,0,0,1|1,0,1]=4 162 B16R2.2832 O=C1NC(CCOc2ccccc2)CO1 Amb33080548 [1,0,0,0,0,1|1,0,1]=4 163 B16R2.2832 O=C1NC(COCc2ccccc2)CO1 Amb27646362 [1,0,0,0,0,1|1,0,1]=4 164 B16R2.2832 O=C1OCC(COCc2ccccc2)O1 Amb10071643 [1,0,0,0,0,1|2,0,0]=4