0 B14R2.19 BrC1CCC(Cc2ccccc2)C1 Amb25345569 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.19 Brc1ccn(Cc2ccccc2)n1 Amb23539557 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.19 Brc1nc(Cc2ccccc2)ns1 Amb27172690 [0,0,0,0,0,0|2,1,1]=4 3 B14R2.19 Brc1ncn(Cc2ccccc2)n1 Amb13777487 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.19 Brc1noc(Cc2ccccc2)n1 Amb23449478 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.19 C=C1CCN(Cc2ccccc2)C1 Amb19334016 [0,0,0,0,0,0|4,0,0]=4 6 B14R2.19 CC1=CCC(Cc2ccccc2)=C1 Amb27398578 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.19 CC1=NC(Cc2ccccc2)CO1 Amb26964500 [0,0,0,0,0,0|1,0,0]=1 8 B14R2.19 CC1CC(Cc2ccccc2)CN1 Amb9777222 [0,0,0,0,0,0|3,0,1]=4 9 B14R2.19 CC1CC(Nc2ccccc2)CO1 Amb35679125 [0,0,0,0,0,0|3,0,1]=4 10 B14R2.19 Cc1csc(Cc2ccccc2)n1 Amb26349775 [0,0,0,0,0,0|3,0,1]=4 11 B14R2.19 Cc1nc(Cc2ccccc2)cs1 Amb26885758 [0,0,0,0,0,0|1,1,2]=4 12 B14R2.19 Cc1nc(Cc2ccccc2)no1 Amb25760165 [0,0,0,0,0,0|2,0,1]=3 13 B14R2.19 Cc1noc(Cc2ccccc2)n1 Amb27484518 [0,0,0,0,0,0|3,0,1]=4 14 B14R2.19 ClC1CCC(Cc2ccccc2)C1 Amb27443400 [0,0,0,0,0,0|3,0,1]=4 15 B14R2.19 Clc1ccn(Cc2ccccc2)n1 Amb27760336 [0,0,0,0,0,0|3,0,1]=4 16 B14R2.19 Clc1nc(Cc2ccccc2)ns1 Amb19895129 [0,0,0,0,0,0|2,1,1]=4 17 B14R2.19 Clc1ncn(Cc2ccccc2)n1 Amb19134566 [0,0,0,0,0,0|3,0,1]=4 18 B14R2.19 Clc1nsc(Cc2ccccc2)n1 Amb28316630 [0,0,0,0,0,0|3,0,1]=4 19 B14R2.19 Ic1ccn(Cc2ccccc2)n1 Amb25702855 [0,0,0,0,0,0|3,0,1]=4 20 B14R2.19 Ic1nc(Cc2ccccc2)ns1 Amb27493944 [0,0,0,0,0,0|2,1,1]=4 21 B14R2.19 NC1=NC(Cc2ccccc2)CO1 Amb23449444 [0,0,0,0,0,0|0,0,0]=0 22 B14R2.19 NC1=NC(Cc2ccccc2)CS1 Amb27400638 [0,0,0,0,0,0|0,1,0]=1 23 B14R2.19 NC1=NCC(Cc2ccccc2)N1 Amb27800741 [0,0,0,0,0,0|1,0,1]=2 24 B14R2.19 NC1=N[C@H](Cc2ccccc2)CO1 Amb27464486 [0,0,0,0,0,0|0,0,0]=0 25 B14R2.19 NC1=N\C(=N/c2ccccc2)SS1 Amb20665099 [0,0,0,0,0,0|2,1,1]=4 26 B14R2.19 NC1CCC(Cc2ccccc2)C1 Amb25337996 [0,0,0,0,0,0|2,0,1]=3 27 B14R2.19 NC1CCN(Cc2ccccc2)C1 Amb1680318 [0,0,0,0,0,0|3,0,1]=4 28 B14R2.19 NC1CCN(Cc2ccccc2)C1 Amb8396676 [0,0,0,0,0,0|3,0,1]=4 29 B14R2.19 NC1COC(Cc2ccccc2)C1 Amb35593782 [0,0,0,0,0,0|3,0,1]=4 30 B14R2.19 N[C@@H]1CCN(Cc2ccccc2)C1 Amb17739648 [0,0,0,0,0,0|3,0,1]=4 31 B14R2.19 N[C@@H]1CCN(Cc2ccccc2)C1 Amb20242773 [0,0,0,0,0,0|3,0,1]=4 32 B14R2.19 N[C@@H]1CCN(Cc2ccccc2)C1 Amb4297099 [0,0,0,0,0,0|3,0,1]=4 33 B14R2.19 N[C@H]1CCN(Cc2ccccc2)C1 Amb3939621 [0,0,0,0,0,0|3,0,1]=4 34 B14R2.19 N[C@H]1CCN(Cc2ccccc2)C1 Amb8384309 [0,0,0,0,0,0|3,0,1]=4 35 B14R2.19 Nc1c[n+](Cc2ccccc2)no1 Amb19650260 [0,0,0,0,0,0|3,0,0]=3 36 B14R2.19 Nc1c[n+](Cc2ccccc2)ns1 Amb27261822 [0,0,0,0,0,0|3,1,0]=4 37 B14R2.19 Nc1cc(Cc2ccccc2)no1 Amb17233004 [0,0,0,0,0,0|2,0,1]=3 38 B14R2.19 Nc1cc(Cc2ccccc2)on1 Amb25900028 [0,0,0,0,0,0|3,0,1]=4 39 B14R2.19 Nc1ccc(Cc2ccccc2)o1 Amb18674075 [0,0,0,0,0,0|2,0,2]=4 40 B14R2.19 Nc1ccn(Cc2ccccc2)n1 Amb33527734 [0,0,0,0,0,0|2,0,1]=3 41 B14R2.19 Nc1ccn(Cc2ccccc2)n1 Amb33548704 [0,0,0,0,0,0|2,0,1]=3 42 B14R2.19 Nc1ccn(Cc2ccccn2)n1 Amb13951994 [0,0,0,0,0,0|3,0,1]=4 43 B14R2.19 Nc1ccn(Cc2cccnc2)n1 Amb13951995 [0,0,0,0,0,0|3,0,1]=4 44 B14R2.19 Nc1ccn(Cc2ccncc2)n1 Amb13951997 [0,0,0,0,0,0|3,0,1]=4 45 B14R2.19 Nc1cn(Cc2ccccc2)cn1 Amb18197954 [0,0,0,0,0,0|3,0,1]=4 46 B14R2.19 Nc1cn(Cc2ccccc2)cn1 Amb33482918 [0,0,0,0,0,0|3,0,1]=4 47 B14R2.19 Nc1cn(Cc2ccccc2)nn1 Amb20407651 [0,0,0,0,0,0|4,0,0]=4 48 B14R2.19 Nc1cn(Cc2ccccc2)nn1 Amb32835544 [0,0,0,0,0,0|4,0,0]=4 49 B14R2.19 Nc1cnc(Cc2ccccc2)o1 Amb18065509 [0,0,0,0,0,0|3,0,1]=4 50 B14R2.19 Nc1cnn(Cc2ccccc2)c1 Amb17622120 [0,0,0,0,0,0|4,0,0]=4 51 B14R2.19 Nc1cnn(Cc2ccccc2)c1 Amb33532945 [0,0,0,0,0,0|4,0,0]=4 52 B14R2.19 Nc1cnn(Cc2ccccc2)n1 Amb18197582 [0,0,0,0,0,0|3,0,0]=3 53 B14R2.19 Nc1cnn(Cc2ccccn2)n1 Amb32708235 [0,0,0,0,0,0|4,0,0]=4 54 B14R2.19 Nc1cnn(Cc2cccnc2)n1 Amb32708236 [0,0,0,0,0,0|4,0,0]=4 55 B14R2.19 Nc1cnn(Cc2ccncc2)n1 Amb32708237 [0,0,0,0,0,0|4,0,0]=4 56 B14R2.19 Nc1csc(Cc2cccnc2)n1 Amb27236596 [0,0,0,0,0,0|3,0,1]=4 57 B14R2.19 Nc1nc(Cc2ccccc2)co1 Amb22499416 [0,0,0,0,0,0|0,0,2]=2 58 B14R2.19 Nc1nc(Cc2ccccc2)cs1 Amb1264076 [0,0,0,0,0,0|0,1,2]=3 59 B14R2.19 Nc1nc(Cc2ccccc2)ns1 Amb33531825 [0,0,0,0,0,0|1,1,1]=3 60 B14R2.19 Nc1nc(Cc2ccncc2)no1 Amb18962280 [0,0,0,0,0,0|2,0,1]=3 61 B14R2.19 Nc1nc(Nc2ccccc2)ns1 Amb2616198 [0,0,0,0,0,0|2,1,1]=4 62 B14R2.19 Nc1nc(Oc2ccccc2)ns1 Amb18651481 [0,0,0,0,0,0|2,1,1]=4 63 B14R2.19 Nc1nc(Sc2ccccc2)ns1 Amb13881242 [0,0,0,0,0,0|2,1,1]=4 64 B14R2.19 Nc1ncc(Cc2ccccc2)o1 Amb26512026 [0,0,0,0,0,0|2,0,2]=4 65 B14R2.19 Nc1ncc(Cc2ccccc2)s1 Amb10610422 [0,0,0,0,0,0|2,0,2]=4 66 B14R2.19 Nc1ncc(Cc2ccccc2)s1 Amb1121616 [0,0,0,0,0,0|2,0,2]=4 67 B14R2.19 Nc1ncn(Cc2ccccc2)n1 Amb1946393 [0,0,0,0,0,0|2,0,1]=3 68 B14R2.19 Nc1ncn(Cc2ccccn2)n1 Amb13951996 [0,0,0,0,0,0|3,0,1]=4 69 B14R2.19 Nc1ncn(Cc2cccnc2)n1 Amb13951993 [0,0,0,0,0,0|3,0,1]=4 70 B14R2.19 Nc1ncn(Cc2ccncc2)n1 Amb13952266 [0,0,0,0,0,0|3,0,1]=4 71 B14R2.19 Nc1nnc(Cc2ccccc2)o1 Amb33526530 [0,0,0,0,0,0|3,0,1]=4 72 B14R2.19 Nc1nnc(Cc2ccccc2)s1 Amb32666995 [0,0,0,0,0,0|3,0,1]=4 73 B14R2.19 Nc1nnc(Cc2ccccc2)s1 Amb6320080 [0,0,0,0,0,0|3,0,1]=4 74 B14R2.19 Nc1nnn(Cc2ccccc2)n1 Amb358621 [0,0,0,0,0,0|3,0,0]=3 75 B14R2.19 Nc1noc(Cc2ccccc2)n1 Amb33541789 [0,0,0,0,0,0|2,0,1]=3 76 B14R2.19 O=C1C=C(Cc2ccccc2)CC1 Amb25900544 [0,0,0,0,0,0|3,0,1]=4 77 B14R2.19 O=C1C=C(Sc2ccccc2)CO1 Amb21928058 [0,0,0,0,0,0|3,0,1]=4 78 B14R2.19 O=C1CC(Cc2ccccc2)=NO1 Amb1099037 [0,0,0,0,0,0|3,0,1]=4 79 B14R2.19 O=C1CC(Cc2ccccc2)CN1 Amb10608007 [0,0,0,0,0,0|3,0,0]=3 80 B14R2.19 O=C1CC(Cc2ccccc2)CO1 Amb8487117 [0,0,0,0,0,0|2,0,0]=2 81 B14R2.19 O=C1CC(Cc2ccccc2)NN1 Amb29862360 [0,0,0,0,0,0|4,0,0]=4 82 B14R2.19 O=C1CC(Cc2cccnc2)CN1 Amb27412618 [0,0,0,0,0,0|4,0,0]=4 83 B14R2.19 O=C1CC(Nc2ccccc2)CO1 Amb27415556 [0,0,0,0,0,0|3,0,0]=3 84 B14R2.19 O=C1CCC(Cc2ccccc2)C1 Amb24455173 [0,0,0,0,0,0|3,0,0]=3 85 B14R2.19 O=C1CCC(Cc2ccccc2)N1 Amb6404055 [0,0,0,0,0,0|2,0,1]=3 86 B14R2.19 O=C1CCC(Cc2ccccc2)O1 Amb20669272 [0,0,0,0,0,0|3,0,0]=3 87 B14R2.19 O=C1CCC(Cc2ccncc2)N1 Amb27972750 [0,0,0,0,0,0|3,0,1]=4 88 B14R2.19 O=C1CCC(Nc2ccccc2)C1 Amb28137731 [0,0,0,0,0,0|4,0,0]=4 89 B14R2.19 O=C1CCC(Nc2ccccc2)N1 Amb27816227 [0,0,0,0,0,0|3,0,1]=4 90 B14R2.19 O=C1CCC(Sc2ccccc2)C1 Amb25815229 [0,0,0,0,0,0|4,0,0]=4 91 B14R2.19 O=C1CCC(Sc2ccccc2)N1 Amb27799846 [0,0,0,0,0,0|3,0,1]=4 92 B14R2.19 O=C1CCN(Cc2ccccc2)C1 Amb1680105 [0,0,0,0,0,0|4,0,0]=4 93 B14R2.19 O=C1CCN(Cc2ccccc2)C1 Amb18048933 [0,0,0,0,0,0|4,0,0]=4 94 B14R2.19 O=C1CCN(Cc2ccccc2)N1 Amb2423894 [0,0,0,0,0,0|3,0,1]=4 95 B14R2.19 O=C1CN(Cc2ccccc2)CO1 Amb27861590 [0,0,0,0,0,0|3,0,0]=3 96 B14R2.19 O=C1CNC(Cc2ccccc2)=N1 Amb33548215 [0,0,0,0,0,0|3,0,1]=4 97 B14R2.19 O=C1COC(Cc2ccccc2)C1 Amb35718934 [0,0,0,0,0,0|4,0,0]=4 98 B14R2.19 O=C1C[C@@H](Cc2ccccc2)CN1 Amb27777300 [0,0,0,0,0,0|3,0,0]=3 99 B14R2.19 O=C1N=C(Cc2ccccc2)ON1 Amb27438142 [0,0,0,0,0,0|3,0,1]=4 100 B14R2.19 O=C1NC(Cc2ccccc2)CO1 Amb9809273 [0,0,0,0,0,0|1,0,1]=2 101 B14R2.19 O=C1NC(Cc2ccccc2)CS1 Amb27618346 [0,0,0,0,0,0|1,1,1]=3 102 B14R2.19 O=C1NC(Cc2ccncc2)CO1 Amb27607810 [0,0,0,0,0,0|2,0,1]=3 103 B14R2.19 O=C1NCC(Cc2ccccc2)N1 Amb18061673 [0,0,0,0,0,0|2,0,1]=3 104 B14R2.19 O=C1NCC(Cc2ccccc2)O1 Amb18061675 [0,0,0,0,0,0|3,0,0]=3 105 B14R2.19 O=C1NC[C@H](Cc2ccccc2)N1 Amb27772403 [0,0,0,0,0,0|2,0,1]=3 106 B14R2.19 O=C1N[C@@H](Cc2ccccc2)CO1 Amb2725669 [0,0,0,0,0,0|1,0,1]=2 107 B14R2.19 O=C1N[C@@H](Cc2ccccc2)CS1 Amb19887642 [0,0,0,0,0,0|1,1,1]=3 108 B14R2.19 O=C1N[C@H](Cc2ccccc2)CO1 Amb6357181 [0,0,0,0,0,0|1,0,1]=2 109 B14R2.19 O=C1N[C@H](Cc2ccccc2)CS1 Amb19888420 [0,0,0,0,0,0|1,1,1]=3 110 B14R2.19 O=C1N\C(=C/c2ccccc2)CO1 Amb27815226 [0,0,0,0,0,0|1,0,3]=4 111 B14R2.19 O=C1N\C(=C\c2ccccc2)CO1 Amb27981988 [0,0,0,0,0,0|1,0,3]=4 112 B14R2.19 O=C1OCC(Oc2ccccn2)O1 Amb28182698 [0,0,0,0,0,0|4,0,0]=4 113 B14R2.19 O=c1nnc(Cc2ccccc2)n1 Amb3777301 [0,0,0,0,0,0|3,0,1]=4 114 B14R2.19 OC1CC(Cc2ccccc2)CO1 Amb22752560 [0,0,0,0,0,0|2,0,1]=3 115 B14R2.19 OC1CCC(Cc2ccccc2)C1 Amb27664443 [0,0,0,0,0,0|3,0,1]=4 116 B14R2.19 Oc1cc(Cc2ccccc2)no1 Amb20672899 [0,0,0,0,0,0|3,0,1]=4 117 B14R2.19 Oc1csc(Cc2ccccc2)n1 Amb27221836 [0,0,0,0,0,0|3,0,1]=4 118 B14R2.19 S=C1N=C(Cc2ccccc2)CS1 Amb19888437 [0,0,0,0,0,0|1,1,1]=3 119 B14R2.19 S=C1N=C(Cc2ccccc2)NN1 Amb20669593 [0,0,0,0,0,0|3,0,1]=4 120 B14R2.19 S=C1NC(Cc2ccccc2)CO1 Amb25938312 [0,0,0,0,0,0|1,0,1]=2 121 B14R2.19 S=C1NC(Cc2ccccc2)CS1 Amb24079058 [0,0,0,0,0,0|1,1,1]=3 122 B14R2.19 S=C1NCC(Cc2ccccc2)S1 Amb27798328 [0,0,0,0,0,0|3,0,0]=3 123 B14R2.19 S=C1N[C@@H](Cc2ccccc2)CO1 Amb8629174 [0,0,0,0,0,0|1,0,1]=2 124 B14R2.19 S=C1N[C@@H](Cc2ccccc2)CS1 Amb8629263 [0,0,0,0,0,0|1,1,1]=3 125 B14R2.19 S=C1N[C@H](Cc2ccccc2)CO1 Amb8629175 [0,0,0,0,0,0|1,0,1]=2 126 B14R2.19 S=C1N[C@H](Cc2ccccc2)CS1 Amb8629264 [0,0,0,0,0,0|1,1,1]=3 127 B14R2.19 SC1NCC(Cc2ccccc2)N1 Amb28123190 [0,0,0,0,0,0|2,0,2]=4 128 B14R2.19 Sc1nc(Cc2ccccc2)no1 Amb18317690 [0,0,0,0,0,0|2,0,1]=3 129 B14R2.19 [NH-]c1c[n+](Cc2ccccc2)no1 Amb19649020 [0,0,0,0,0,0|3,0,1]=4 130 B13R2.64 C1=CC(Cc2ccccn2)CC1 Amb27178197 [1,0,0,0,0,0|3,0,0]=4 131 B13R2.64 C1=CC(Sc2ccccc2)CC1 Amb17939289 [1,0,0,0,0,0|3,0,0]=4 132 B13R2.64 C1=CCC(Cc2ccccc2)C1 Amb29888235 [1,0,0,0,0,0|2,0,0]=3 133 B13R2.64 C1=CCC(Cc2cccnc2)C1 Amb29888236 [1,0,0,0,0,0|3,0,0]=4 134 B13R2.64 C1=CCN(Cc2ccccc2)C1 Amb9820128 [1,0,0,0,0,0|3,0,0]=4 135 B13R2.64 C1=NN(Cc2ccccc2)CC1 Amb8391964 [1,0,0,0,0,0|2,0,0]=3 136 B13R2.64 C1=N[C@@H](Cc2ccccc2)CN1 Amb27475965 [1,0,0,0,0,0|1,0,0]=2 137 B13R2.64 C1=N[C@H](Cc2ccccc2)CN1 Amb27834345 [1,0,0,0,0,0|1,0,0]=2 138 B13R2.64 c1cc[n+](Cc2ncon2)cc1 Amb27660383 [1,0,0,0,0,0|2,0,1]=4 139 B13R2.64 c1ccc(CC2=NCCC2)cc1 Amb24053775 [1,0,0,0,0,0|1,0,2]=4 140 B13R2.64 c1ccc(CC2CCCN2)cc1 Amb17659145 [1,0,0,0,0,0|1,0,2]=4 141 B13R2.64 c1ccc(CC2CCNC2)cc1 Amb24097496 [1,0,0,0,0,0|2,0,1]=4 142 B13R2.64 c1ccc(CC2CCNC2)cc1 Amb3940960 [1,0,0,0,0,0|2,0,1]=4 143 B13R2.64 c1ccc(CC2CCOC2)cc1 Amb27770987 [1,0,0,0,0,0|1,0,1]=3 144 B13R2.64 c1ccc(CC2COCN2)cc1 Amb18563410 [1,0,0,0,0,0|0,0,2]=3 145 B13R2.64 c1ccc(CN2CCOC2)cc1 Amb22229191 [1,0,0,0,0,0|2,0,1]=4 146 B13R2.64 c1ccc(C[C@@H]2CCCN2)cc1 Amb19883945 [1,0,0,0,0,0|1,0,2]=4 147 B13R2.64 c1ccc(C[C@@H]2CCCN2)cc1 Amb30586559 [1,0,0,0,0,0|1,0,2]=4 148 B13R2.64 c1ccc(C[C@H]2CCCN2)cc1 Amb27160705 [1,0,0,0,0,0|1,0,2]=4 149 B13R2.64 c1ccc(C[C@H]2CCCN2)cc1 Amb33877453 [1,0,0,0,0,0|1,0,2]=4 150 B13R2.64 c1ccc(C[C@H]2COCN2)cc1 Amb27634861 [1,0,0,0,0,0|0,0,2]=3 151 B13R2.64 c1ccc(Cc2ccoc2)cc1 Amb27748433 [1,0,0,0,0,0|1,0,2]=4 152 B13R2.64 c1ccc(Cc2cscn2)cc1 Amb25758293 [1,0,0,0,0,0|0,1,2]=4 153 B13R2.64 c1ccc(Cc2ncco2)cc1 Amb17400052 [1,0,0,0,0,0|2,0,1]=4 154 B13R2.64 c1ccc(Cc2nccs2)cc1 Amb25894291 [1,0,0,0,0,0|2,0,1]=4 155 B13R2.64 c1ccc(Cc2ncon2)cc1 Amb27395776 [1,0,0,0,0,0|1,0,1]=3 156 B13R2.64 c1ccc(Cn2cccn2)cc1 Amb33531671 [1,0,0,0,0,0|2,0,1]=4 157 B13R2.64 c1ccc(Cn2cncn2)cc1 Amb843119 [1,0,0,0,0,0|2,0,1]=4 158 B13R2.64 c1ccc(NC2CCOC2)cc1 Amb25310936 [1,0,0,0,0,0|2,0,1]=4 159 B13R2.64 c1ccc(NC2CCOC2)cc1 Amb32729444 [1,0,0,0,0,0|2,0,1]=4 160 B15R2.15 BrCc1nc(Cc2ccccc2)no1 Amb16231096 [0,1,0,0,0,0|2,0,1]=4 161 B15R2.15 C=CC1=N[C@@H](Cc2ccccc2)CO1 Amb22747341 [0,1,0,0,0,0|1,0,0]=2 162 B15R2.15 CNc1nc(Cc2ccccn2)no1 Amb18993447 [0,1,0,0,0,0|2,0,1]=4 163 B15R2.15 CNc1nc(Cc2cccnc2)no1 Amb18993454 [0,1,0,0,0,0|2,0,1]=4 164 B15R2.15 CNc1nc(Nc2ccccc2)no1 Amb27169109 [0,1,0,0,0,0|2,0,1]=4 165 B15R2.15 COC1=NC(Cc2ccccc2)CO1 Amb22549387 [0,1,0,0,0,0|1,0,0]=2 166 B15R2.15 ClCc1nc(Cc2ccccc2)co1 Amb32680240 [0,1,0,0,0,0|1,0,2]=4 167 B15R2.15 ClCc1nc(Cc2ccccc2)no1 Amb1099133 [0,1,0,0,0,0|2,0,1]=4 168 B15R2.15 NCC1CCC(Cc2ccccc2)O1 Amb17595001 [0,1,0,0,0,0|2,0,1]=4 169 B15R2.15 NC[C@@H]1CC[C@H](Cc2ccccc2)O1 Amb32675071 [0,1,0,0,0,0|2,0,1]=4 170 B15R2.15 NCc1ccn(Cc2ccccc2)n1 Amb25946350 [0,1,0,0,0,0|2,0,1]=4 171 B15R2.15 NCc1ccn(Cc2ccccc2)n1 Amb30588538 [0,1,0,0,0,0|2,0,1]=4 172 B15R2.15 NCc1coc(Cc2ccccc2)n1 Amb17401172 [0,1,0,0,0,0|2,0,1]=4 173 B15R2.15 NCc1csc(Cc2ccccc2)n1 Amb22586755 [0,1,0,0,0,0|2,0,1]=4 174 B15R2.15 NCc1csc(Cc2ccccc2)n1 Amb5759585 [0,1,0,0,0,0|2,0,1]=4 175 B15R2.15 NCc1nc(Cc2ccccc2)cs1 Amb5740482 [0,1,0,0,0,0|0,1,2]=4 176 B15R2.15 NCc1nc(Cc2ccccc2)no1 Amb1094153 [0,1,0,0,0,0|1,0,1]=3 177 B15R2.15 NCc1nc(Cc2ccccc2)no1 Amb13951236 [0,1,0,0,0,0|1,0,1]=3 178 B15R2.15 NCc1nc(Cc2ccccn2)no1 Amb6638354 [0,1,0,0,0,0|2,0,1]=4 179 B15R2.15 NCc1nc(Cc2ccncc2)no1 Amb18992470 [0,1,0,0,0,0|2,0,1]=4 180 B15R2.15 NCc1nnn(Cc2ccccc2)n1 Amb25954292 [0,1,0,0,0,0|3,0,0]=4 181 B15R2.15 NCc1noc(Cc2ccccc2)n1 Amb10608115 [0,1,0,0,0,0|2,0,1]=4 182 B15R2.15 NNc1nc(Cc2ccccc2)cs1 Amb27974113 [0,1,0,0,0,0|0,1,2]=4 183 B15R2.15 NNc1nc(Cc2ccccn2)no1 Amb19073247 [0,1,0,0,0,0|2,0,1]=4 184 B15R2.15 NNc1nc(Cc2ccncc2)no1 Amb19073248 [0,1,0,0,0,0|2,0,1]=4 185 B15R2.15 N\N=C1\CCN(Cc2ccccc2)C1 Amb27768100 [0,1,0,0,0,0|3,0,0]=4 186 B15R2.15 OCc1nc(Cc2ccccc2)no1 Amb28244521 [0,1,0,0,0,0|2,0,1]=4 187 B15R2.15 O\N=C1\CCC(Cc2ccccc2)C1 Amb28072694 [0,1,0,0,0,0|2,0,1]=4 188 B15R2.98 Cc1ccc(CC2CCC(=O)O2)cc1 Amb27170785 [0,1,0,0,0,0|3,0,0]=4 189 B15R2.98 Cc1ccc(CC2COC(N)=N2)cc1 Amb27413652 [0,1,0,0,0,0|0,0,0]=1 190 B15R2.98 Cc1ccc(C[n+]2cc(N)on2)cc1 Amb19650262 [0,1,0,0,0,0|3,0,0]=4 191 B15R2.98 Cc1ccc(Cc2cc(N)on2)cc1 Amb17234528 [0,1,0,0,0,0|2,0,1]=4 192 B15R2.98 Cc1ccc(Cc2csc(N)n2)cc1 Amb2793464 [0,1,0,0,0,0|0,1,2]=4 193 B15R2.98 Cc1ccc(Cc2nc(N)no2)cc1 Amb18820277 [0,1,0,0,0,0|2,0,1]=4 194 B15R2.98 Cc1ccc(Cc2noc(S)n2)cc1 Amb27638634 [0,1,0,0,0,0|2,0,1]=4 195 B15R2.98 Cc1ccc(Cn2ccc(N)n2)cc1 Amb6532060 [0,1,0,0,0,0|2,0,1]=4 196 B15R2.98 Cc1ccc(Cn2cnc(N)n2)cc1 Amb1946343 [0,1,0,0,0,0|2,0,1]=4 197 B15R2.98 Cc1ccc(Cn2ncc(N)n2)cc1 Amb18820893 [0,1,0,0,0,0|3,0,0]=4 198 B15R2.98 Cc1ccc(Nc2noc(N)n2)cc1 Amb18650464 [0,1,0,0,0,0|2,0,1]=4 199 B15R2.98 Cc1nc(Cc2ccc(Br)cc2)no1 Amb18228267 [0,1,0,0,0,0|2,0,1]=4 200 B15R2.98 Cc1nc(Cc2ccc(N)cc2)no1 Amb18863415 [0,1,0,0,0,0|2,0,1]=4 201 B15R2.98 Clc1ccc(Cc2noc(Cl)n2)cc1 Amb27869371 [0,1,0,0,0,0|2,0,1]=4 202 B15R2.98 Fc1ccc(Cc2noc(Cl)n2)cc1 Amb19373985 [0,1,0,0,0,0|2,0,1]=4 203 B15R2.98 Fc1ccc(Cc2noc(S)n2)cc1 Amb27949326 [0,1,0,0,0,0|2,0,1]=4 204 B15R2.98 NC1=NC(Cc2ccc(F)cc2)CO1 Amb27169139 [0,1,0,0,0,0|0,0,0]=1 205 B15R2.98 NC1=NC(Cc2ccc(O)cc2)CS1 Amb28118481 [0,1,0,0,0,0|0,1,0]=2 206 B15R2.98 NC1=N[C@@H](Cc2ccc(F)cc2)CO1 Amb28204006 [0,1,0,0,0,0|0,0,0]=1 207 B15R2.98 NC1=N[C@H](Cc2ccc(O)cc2)CS1 Amb27248430 [0,1,0,0,0,0|0,1,0]=2 208 B15R2.98 NC1CCC(Cc2ccc(Br)cc2)C1 Amb27459583 [0,1,0,0,0,0|2,0,1]=4 209 B15R2.98 Nc1c[n+](Cc2ccc(F)cc2)no1 Amb19650261 [0,1,0,0,0,0|3,0,0]=4 210 B15R2.98 Nc1cc(Cc2ccc(Br)cc2)no1 Amb17263171 [0,1,0,0,0,0|2,0,1]=4 211 B15R2.98 Nc1cc(Cc2ccc(Cl)cc2)no1 Amb17240112 [0,1,0,0,0,0|2,0,1]=4 212 B15R2.98 Nc1cc(Cc2ccc(F)cc2)no1 Amb17235324 [0,1,0,0,0,0|2,0,1]=4 213 B15R2.98 Nc1ccc(CC2=CC(=O)OC2)cc1 Amb27240034 [0,1,0,0,0,0|2,0,1]=4 214 B15R2.98 Nc1ccc(CC2CCC(=O)N2)cc1 Amb18819188 [0,1,0,0,0,0|2,0,1]=4 215 B15R2.98 Nc1ccc(CC2CNC(=O)O2)cc1 Amb18559562 [0,1,0,0,0,0|3,0,0]=4 216 B15R2.98 Nc1ccc(CC2CNC(=O)O2)cc1 Amb32662972 [0,1,0,0,0,0|3,0,0]=4 217 B15R2.98 Nc1ccc(CC2COC(=O)N2)cc1 Amb2613740 [0,1,0,0,0,0|1,0,1]=3 218 B15R2.98 Nc1ccc(C[C@@H]2COC(=O)N2)cc1 Amb19130394 [0,1,0,0,0,0|1,0,1]=3 219 B15R2.98 Nc1ccc(C[C@H]2COC(=O)N2)cc1 Amb8392894 [0,1,0,0,0,0|1,0,1]=3 220 B15R2.98 Nc1ccc(Cc2nc(N)no2)cc1 Amb27632416 [0,1,0,0,0,0|2,0,1]=4 221 B15R2.98 Nc1ccn(Cc2ccc(Br)cc2)n1 Amb1995301 [0,1,0,0,0,0|2,0,1]=4 222 B15R2.98 Nc1ccn(Cc2ccc(Cl)cc2)n1 Amb33534825 [0,1,0,0,0,0|2,0,1]=4 223 B15R2.98 Nc1ccn(Cc2ccc(F)cc2)n1 Amb2154780 [0,1,0,0,0,0|2,0,1]=4 224 B15R2.98 Nc1ccn(Cc2ccc(I)cc2)n1 Amb27597366 [0,1,0,0,0,0|2,0,1]=4 225 B15R2.98 Nc1ccn(Cc2ccc(O)cc2)n1 Amb28203324 [0,1,0,0,0,0|2,0,1]=4 226 B15R2.98 Nc1cnn(Cc2ccc(Br)cc2)n1 Amb18696922 [0,1,0,0,0,0|3,0,0]=4 227 B15R2.98 Nc1cnn(Cc2ccc(Cl)cc2)n1 Amb32702521 [0,1,0,0,0,0|3,0,0]=4 228 B15R2.98 Nc1cnn(Cc2ccc(F)cc2)n1 Amb18817587 [0,1,0,0,0,0|3,0,0]=4 229 B15R2.98 Nc1cnn(Cc2ccc(I)cc2)n1 Amb32702534 [0,1,0,0,0,0|3,0,0]=4 230 B15R2.98 Nc1cnn(Cc2ccc(O)cc2)n1 Amb32702384 [0,1,0,0,0,0|3,0,0]=4 231 B15R2.98 Nc1nc(Cc2ccc(Br)cc2)cs1 Amb33526901 [0,1,0,0,0,0|0,1,2]=4 232 B15R2.98 Nc1nc(Cc2ccc(Cl)cc2)cs1 Amb8887721 [0,1,0,0,0,0|0,1,2]=4 233 B15R2.98 Nc1nc(Cc2ccc(F)cc2)cs1 Amb7969880 [0,1,0,0,0,0|0,1,2]=4 234 B15R2.98 Nc1nc(Cc2ccc(F)cc2)no1 Amb33530581 [0,1,0,0,0,0|1,0,1]=3 235 B15R2.98 Nc1nc(Nc2ccc(Cl)cc2)no1 Amb18656972 [0,1,0,0,0,0|2,0,1]=4 236 B15R2.98 Nc1ncn(Cc2ccc(Br)cc2)n1 Amb13951794 [0,1,0,0,0,0|2,0,1]=4 237 B15R2.98 Nc1ncn(Cc2ccc(Cl)cc2)n1 Amb6462598 [0,1,0,0,0,0|2,0,1]=4 238 B15R2.98 Nc1ncn(Cc2ccc(F)cc2)n1 Amb6462590 [0,1,0,0,0,0|2,0,1]=4 239 B15R2.98 Nc1ncn(Cc2ccc(I)cc2)n1 Amb25828668 [0,1,0,0,0,0|2,0,1]=4 240 B15R2.98 Nc1ncn(Cc2ccc(O)cc2)n1 Amb26329299 [0,1,0,0,0,0|2,0,1]=4 241 B15R2.98 Nc1nnn(Cc2ccc(Cl)cc2)n1 Amb27254280 [0,1,0,0,0,0|3,0,0]=4 242 B15R2.98 Nc1noc(Cc2ccc(F)cc2)n1 Amb18816659 [0,1,0,0,0,0|2,0,1]=4 243 B15R2.98 Nc1nsc(Cc2ccc(F)cc2)n1 Amb18775753 [0,1,0,0,0,0|2,0,1]=4 244 B15R2.98 O=C1CC(Cc2ccc(F)cc2)CN1 Amb27948094 [0,1,0,0,0,0|3,0,0]=4 245 B15R2.98 O=C1CCC(Cc2ccc(Br)cc2)N1 Amb27632179 [0,1,0,0,0,0|2,0,1]=4 246 B15R2.98 O=C1CCC(Cc2ccc(O)cc2)O1 Amb20668221 [0,1,0,0,0,0|3,0,0]=4 247 B15R2.98 O=C1CC[C@@H](Cc2ccc(F)cc2)N1 Amb27867363 [0,1,0,0,0,0|2,0,1]=4 248 B15R2.98 O=C1NC(Cc2ccc(Cl)cc2)CO1 Amb27166135 [0,1,0,0,0,0|1,0,1]=3 249 B15R2.98 O=C1NC(Cc2ccc(O)cc2)CO1 Amb28399035 [0,1,0,0,0,0|1,0,1]=3 250 B15R2.98 O=C1NCC(Cc2ccc(Cl)cc2)O1 Amb27487314 [0,1,0,0,0,0|3,0,0]=4 251 B15R2.98 O=C1NCC(Cc2ccc(F)cc2)O1 Amb27590243 [0,1,0,0,0,0|3,0,0]=4 252 B15R2.98 O=C1N[C@@H](Cc2ccc(O)cc2)CO1 Amb27760747 [0,1,0,0,0,0|1,0,1]=3 253 B15R2.98 Oc1nc(Cc2ccc(F)cc2)no1 Amb19417119 [0,1,0,0,0,0|2,0,1]=4 254 B15R2.297 CC(c1ccccc1)C2CNC(=O)C2 Amb25067874 [0,1,0,0,0,0|3,0,0]=4 255 B15R2.297 CC(c1ccccc1)C2CNC(=O)O2 Amb25037772 [0,1,0,0,0,0|3,0,0]=4 256 B15R2.297 CC(c1ccccc1)C2COC(=O)N2 Amb26311941 [0,1,0,0,0,0|1,0,1]=3 257 B15R2.297 CC(c1ccccc1)C2COC(N)=N2 Amb27747068 [0,1,0,0,0,0|0,0,0]=1 258 B15R2.297 CC(c1ccccc1)c2cc(N)on2 Amb33082131 [0,1,0,0,0,0|2,0,1]=4 259 B15R2.297 CC(c1ccccc1)c2csc(N)n2 Amb27868102 [0,1,0,0,0,0|0,1,2]=4 260 B15R2.297 CC(c1ccccc1)c2nc(N)cs2 Amb29852227 [0,1,0,0,0,0|2,0,1]=4 261 B15R2.297 CC(c1ccccc1)c2nc(N)no2 Amb27473118 [0,1,0,0,0,0|2,0,1]=4 262 B15R2.297 CC(c1ccccc1)c2noc(Cl)n2 Amb35711308 [0,1,0,0,0,0|2,0,1]=4 263 B15R2.297 CC(c1ccccc1)c2noc(N)n2 Amb35715678 [0,1,0,0,0,0|1,0,1]=3 264 B15R2.297 CC(c1ccccc1)c2noc(S)n2 Amb29867926 [0,1,0,0,0,0|2,0,1]=4 265 B15R2.297 CC(c1ccccc1)c2nsc(N)n2 Amb35680930 [0,1,0,0,0,0|1,1,1]=4 266 B15R2.297 CC(c1ccccc1)n2ccc(N)n2 Amb33545313 [0,1,0,0,0,0|2,0,1]=4 267 B15R2.297 CC(c1ccccc1)n2cnc(N)n2 Amb25224994 [0,1,0,0,0,0|2,0,1]=4 268 B15R2.297 CC(c1ccccc1)n2ncc(N)n2 Amb18820897 [0,1,0,0,0,0|3,0,0]=4 269 B15R2.297 CC1CC(C(O)c2ccccc2)CO1 Amb27595702 [0,1,0,0,0,0|2,0,1]=4 270 B15R2.297 CN(c1ccccc1)c2noc(N)n2 Amb18650465 [0,1,0,0,0,0|2,0,1]=4 271 B15R2.297 Cc1nc(C(C)c2ccccc2)no1 Amb26482877 [0,1,0,0,0,0|2,0,1]=4 272 B15R2.297 Cc1nc(C(N)c2ccccc2)co1 Amb18820983 [0,1,0,0,0,0|1,0,2]=4 273 B15R2.297 Cc1nc(C(N)c2ccccc2)no1 Amb33329963 [0,1,0,0,0,0|2,0,1]=4 274 B15R2.297 Cc1nc(C(N)c2ccccc2)no1 Amb9421970 [0,1,0,0,0,0|2,0,1]=4 275 B15R2.297 NC1CCC(C(O)c2ccccc2)C1 Amb35582225 [0,1,0,0,0,0|2,0,1]=4 276 B15R2.297 N[C@@H](c1ccccc1)[C@@H]2COC(=O)N2 Amb27419865 [0,1,0,0,0,0|1,0,1]=3 277 B15R2.297 N[C@@H](c1ccccc1)[C@H]2CCC(=O)O2 Amb27635861 [0,1,0,0,0,0|3,0,0]=4 278 B15R2.297 N[C@H](c1ccccc1)[C@@H]2COC(=O)N2 Amb27419863 [0,1,0,0,0,0|1,0,1]=3 279 B15R2.297 Nc1cc(C(N)c2ccccc2)no1 Amb27961261 [0,1,0,0,0,0|2,0,1]=4 280 B15R2.297 Nc1noc([C@H](N)c2ccccc2)n1 Amb28183522 [0,1,0,0,0,0|2,0,1]=4 281 B15R2.297 O=C1CC(C(=O)c2ccccc2)CO1 Amb2730333 [0,1,0,0,0,0|2,0,1]=4 282 B15R2.297 O=C1CCC(C(O)c2ccccc2)O1 Amb26050077 [0,1,0,0,0,0|3,0,0]=4 283 B15R2.297 O=C1CC[C@@H]([C@@H](O)c2ccccc2)N1 Amb27797355 [0,1,0,0,0,0|2,0,1]=4 284 B15R2.297 O=C1CC[C@@H]([C@@H](O)c2ccccc2)O1 Amb28053803 [0,1,0,0,0,0|3,0,0]=4 285 B15R2.297 O=C1CC[C@H]([C@@H](O)c2ccccc2)O1 Amb27849013 [0,1,0,0,0,0|3,0,0]=4 286 B15R2.297 O=C1NC(C(=O)c2ccccc2)CO1 Amb27831242 [0,1,0,0,0,0|1,0,2]=4 287 B15R2.297 O=C1NC(C(Cl)c2ccccc2)CO1 Amb28068885 [0,1,0,0,0,0|1,0,1]=3 288 B15R2.297 O=C1N[C@H](C(O)c2ccccc2)CO1 Amb28408797 [0,1,0,0,0,0|1,0,1]=3 289 B15R2.297 O=C1N[C@H]([C@@H](Cl)c2ccccc2)CO1 Amb27636941 [0,1,0,0,0,0|1,0,1]=3 290 B15R2.297 O=C1N[C@H]([C@H](Cl)c2ccccc2)CO1 Amb28053687 [0,1,0,0,0,0|1,0,1]=3 291 B15R2.305 Cc1ccccc1CC2CCC(=O)N2 Amb27979116 [0,1,0,0,0,0|2,0,1]=4 292 B15R2.305 Cc1ccccc1CC2CCC(=O)O2 Amb27235204 [0,1,0,0,0,0|3,0,0]=4 293 B15R2.305 Cc1ccccc1CC2CNC(=O)C2 Amb27493006 [0,1,0,0,0,0|3,0,0]=4 294 B15R2.305 Cc1ccccc1CC2CNC(=O)O2 Amb25035880 [0,1,0,0,0,0|3,0,0]=4 295 B15R2.305 Cc1ccccc1CN2CCC(N)=N2 Amb27479793 [0,1,0,0,0,0|2,0,0]=3 296 B15R2.305 Cc1ccccc1Cc2cc(N)on2 Amb17234526 [0,1,0,0,0,0|2,0,1]=4 297 B15R2.305 Cc1ccccc1Cc2csc(N)n2 Amb8887727 [0,1,0,0,0,0|0,1,2]=4 298 B15R2.305 Cc1ccccc1Cc2nc(N)cs2 Amb27647763 [0,1,0,0,0,0|2,0,1]=4 299 B15R2.305 Cc1ccccc1Cc2noc(S)n2 Amb27817228 [0,1,0,0,0,0|2,0,1]=4 300 B15R2.305 Cc1ccccc1Cc2nsc(N)n2 Amb18956335 [0,1,0,0,0,0|1,1,1]=4 301 B15R2.305 Cc1ccccc1Cn2ccc(N)n2 Amb33534736 [0,1,0,0,0,0|2,0,1]=4 302 B15R2.305 Cc1ccccc1Cn2cnc(N)n2 Amb6351146 [0,1,0,0,0,0|2,0,1]=4 303 B15R2.305 Cc1ccccc1Cn2ncc(N)n2 Amb18820892 [0,1,0,0,0,0|3,0,0]=4 304 B15R2.305 Cc1ccccc1Nc2noc(N)n2 Amb18650466 [0,1,0,0,0,0|2,0,1]=4 305 B15R2.305 Cc1nc(Cc2ccccc2Br)no1 Amb18228244 [0,1,0,0,0,0|2,0,1]=4 306 B15R2.305 Cc1nc(Cc2ccccc2N)no1 Amb18863409 [0,1,0,0,0,0|2,0,1]=4 307 B15R2.305 NC1=N[C@@H](Cc2ccccc2Cl)CO1 Amb27464390 [0,1,0,0,0,0|0,0,0]=1 308 B15R2.305 NC1CCC(Cc2ccccc2Cl)C1 Amb27947870 [0,1,0,0,0,0|2,0,1]=4 309 B15R2.305 Nc1c[n+](Cc2ccccc2Cl)no1 Amb19650265 [0,1,0,0,0,0|3,0,0]=4 310 B15R2.305 Nc1cc(Cc2ccccc2Cl)no1 Amb17240110 [0,1,0,0,0,0|2,0,1]=4 311 B15R2.305 Nc1cc(Cc2ccccc2F)no1 Amb17235323 [0,1,0,0,0,0|2,0,1]=4 312 B15R2.305 Nc1ccn(Cc2ccccc2Br)n1 Amb7173308 [0,1,0,0,0,0|2,0,1]=4 313 B15R2.305 Nc1ccn(Cc2ccccc2Cl)n1 Amb535389 [0,1,0,0,0,0|2,0,1]=4 314 B15R2.305 Nc1ccn(Cc2ccccc2F)n1 Amb6335876 [0,1,0,0,0,0|2,0,1]=4 315 B15R2.305 Nc1ccn(Cc2ccccc2F)n1 Amb8468374 [0,1,0,0,0,0|2,0,1]=4 316 B15R2.305 Nc1cnn(Cc2ccccc2Br)n1 Amb32702530 [0,1,0,0,0,0|3,0,0]=4 317 B15R2.305 Nc1cnn(Cc2ccccc2Cl)n1 Amb32702522 [0,1,0,0,0,0|3,0,0]=4 318 B15R2.305 Nc1cnn(Cc2ccccc2F)n1 Amb18817586 [0,1,0,0,0,0|3,0,0]=4 319 B15R2.305 Nc1csc(Cc2ccccc2Cl)n1 Amb27873677 [0,1,0,0,0,0|2,0,1]=4 320 B15R2.305 Nc1nc(Cc2ccccc2Br)cs1 Amb33526902 [0,1,0,0,0,0|0,1,2]=4 321 B15R2.305 Nc1nc(Cc2ccccc2Br)no1 Amb27636779 [0,1,0,0,0,0|1,0,1]=3 322 B15R2.305 Nc1nc(Cc2ccccc2Cl)cs1 Amb8887728 [0,1,0,0,0,0|0,1,2]=4 323 B15R2.305 Nc1nc(Cc2ccccc2Cl)ns1 Amb18956955 [0,1,0,0,0,0|1,1,1]=4 324 B15R2.305 Nc1nc(Cc2ccccc2F)cs1 Amb7969881 [0,1,0,0,0,0|0,1,2]=4 325 B15R2.305 Nc1nc(Cc2ccccc2F)no1 Amb18961697 [0,1,0,0,0,0|1,0,1]=3 326 B15R2.305 Nc1ncn(Cc2ccccc2Br)n1 Amb25164696 [0,1,0,0,0,0|2,0,1]=4 327 B15R2.305 Nc1ncn(Cc2ccccc2Cl)n1 Amb1945713 [0,1,0,0,0,0|2,0,1]=4 328 B15R2.305 Nc1ncn(Cc2ccccc2F)n1 Amb1946162 [0,1,0,0,0,0|2,0,1]=4 329 B15R2.305 Nc1noc(Cc2ccccc2Br)n1 Amb18695135 [0,1,0,0,0,0|2,0,1]=4 330 B15R2.305 Nc1noc(Cc2ccccc2F)n1 Amb18816660 [0,1,0,0,0,0|2,0,1]=4 331 B15R2.305 Nc1noc(Cc2ccccc2N)n1 Amb27974178 [0,1,0,0,0,0|2,0,1]=4 332 B15R2.305 Nc1nsc(Cc2ccccc2Br)n1 Amb18690292 [0,1,0,0,0,0|2,0,1]=4 333 B15R2.305 Nc1nsc(Cc2ccccc2Cl)n1 Amb18759558 [0,1,0,0,0,0|2,0,1]=4 334 B15R2.305 O=C1CCC(Cc2ccccc2Br)N1 Amb27858199 [0,1,0,0,0,0|2,0,1]=4 335 B15R2.305 O=C1NCC(Cc2ccccc2Cl)O1 Amb26938771 [0,1,0,0,0,0|3,0,0]=4 336 B15R2.305 O=C1NCC(Cc2ccccc2F)O1 Amb28291470 [0,1,0,0,0,0|3,0,0]=4 337 B15R2.305 O=C1NCC(Cc2ccccc2O)O1 Amb18651410 [0,1,0,0,0,0|3,0,0]=4 338 B15R2.314 CC1CN(Cc2ccccc2)N=C1N Amb27469334 [0,1,0,0,0,0|2,0,0]=3 339 B15R2.314 CN1CC(Cc2ccccc2)OC1=O Amb18559294 [0,1,0,0,0,0|3,0,0]=4 340 B15R2.314 C[C@H]1C[C@H](Cc2ccccc2)NC1=O Amb27441075 [0,1,0,0,0,0|2,0,1]=4 341 B15R2.314 Cc1cn(Cc2ccccc2)nc1N Amb33531330 [0,1,0,0,0,0|2,0,1]=4 342 B15R2.314 Cc1sc(Cc2ccccc2)nc1N Amb27242204 [0,1,0,0,0,0|2,0,1]=4 343 B15R2.314 Cn1cc(Cc2ccccc2)nc1N Amb27419464 [0,1,0,0,0,0|1,0,2]=4 344 B15R2.314 Nc1cn(Cc2ccccc2)nc1N Amb27209513 [0,1,0,0,0,0|2,0,1]=4 345 B15R2.314 Nc1nn(Cc2ccccc2)cc1Br Amb9173583 [0,1,0,0,0,0|2,0,1]=4 346 B15R2.314 Nc1nn(Cc2ccccc2)cc1Cl Amb6352786 [0,1,0,0,0,0|2,0,1]=4 347 B15R2.314 O=C1CC(Cc2ccccc2)CC1O Amb27835932 [0,1,0,0,0,0|3,0,0]=4 348 B15R2.314 O=C1O[C@@H](Cc2ccccc2)C[C@@H]1O Amb27454878 [0,1,0,0,0,0|3,0,0]=4 349 B15R2.314 O=C1O[C@H](Cc2ccccc2)C[C@H]1O Amb27218508 [0,1,0,0,0,0|3,0,0]=4 350 B15R2.325 C=C1OC(=O)NC1Cc2ccccc2 Amb28074032 [0,1,0,0,0,0|1,0,2]=4 351 B15R2.325 CC1CC(N)=NN1Cc2ccccc2 Amb24696327 [0,1,0,0,0,0|2,0,0]=3 352 B15R2.325 CC1OC(N)=NC1Cc2ccccc2 Amb27226049 [0,1,0,0,0,0|0,0,0]=1 353 B15R2.325 C[C@@H]1OC(=O)N[C@H]1Cc2ccccc2 Amb27970872 [0,1,0,0,0,0|1,0,1]=3 354 B15R2.325 C[C@@H]1SC(N)=N[C@H]1Cc2ccccc2 Amb27789932 [0,1,0,0,0,0|0,1,0]=2 355 B15R2.325 C[C@H]1OC(=O)N[C@@H]1Cc2ccccc2 Amb27841327 [0,1,0,0,0,0|1,0,1]=3 356 B15R2.325 C[C@H]1OC(=O)N[C@H]1Cc2ccccc2 Amb27816387 [0,1,0,0,0,0|1,0,1]=3 357 B15R2.325 Cc1cc(N)nn1Cc2ccccc2 Amb33531316 [0,1,0,0,0,0|2,0,1]=4 358 B15R2.325 Cc1nc(N)nn1Cc2ccccc2 Amb23481382 [0,1,0,0,0,0|2,0,1]=4 359 B15R2.325 Cc1sc(N)nc1Cc2ccccc2 Amb10609299 [0,1,0,0,0,0|0,1,2]=4 360 B15R2.325 NC1=NC(=O)C(Cc2ccccc2)O1 Amb25975012 [0,1,0,0,0,0|2,0,1]=4 361 B15R2.325 NC1=NN(Cc2ccccc2)C(=O)S1 Amb28059156 [0,1,0,0,0,0|1,1,1]=4 362 B15R2.325 Nc1nc(Br)n(Cc2ccccc2)n1 Amb27607458 [0,1,0,0,0,0|2,0,1]=4 363 B15R2.325 Nc1nc(N)n(Cc2ccccc2)n1 Amb27407077 [0,1,0,0,0,0|2,0,1]=4 364 B15R2.325 O=C1CC(Cc2ccccc2)C(=O)O1 Amb2775768 [0,1,0,0,0,0|2,0,1]=4 365 B15R2.325 O=C1CC(O)C(Cc2ccccc2)N1 Amb28132724 [0,1,0,0,0,0|2,0,1]=4 366 B15R2.325 O=C1C[C@H](Cc2ccccc2)C(=O)O1 Amb22226487 [0,1,0,0,0,0|2,0,1]=4 367 B15R2.325 O=C1NC(Cc2ccccc2)C(=O)O1 Amb22496991 [0,1,0,0,0,0|1,0,2]=4 368 B15R2.325 O=C1NC(S)=NC1Cc2ccccc2 Amb27958049 [0,1,0,0,0,0|2,0,1]=4 369 B15R2.325 O=C1N[C@@H](Cc2ccccc2)C(=O)O1 Amb2684643 [0,1,0,0,0,0|1,0,2]=4 370 B15R2.325 O=C1N[C@H](Cc2ccccc2)C(=O)O1 Amb2684642 [0,1,0,0,0,0|1,0,2]=4 371 B15R2.325 O=C1OC(=S)NC1Cc2ccccc2 Amb27210179 [0,1,0,0,0,0|1,0,2]=4 372 B15R2.325 O=C1OC(=S)N[C@@H]1Cc2ccccc2 Amb27264756 [0,1,0,0,0,0|1,0,2]=4 373 B15R2.325 O=C1OC(O)=CC1Cc2ccccc2 Amb27748167 [0,1,0,0,0,0|2,0,1]=4 374 B15R2.325 OC1NC(=S)NC1Cc2ccccc2 Amb27831472 [0,1,0,0,0,0|2,0,1]=4 375 B15R2.1115 Cc1cccc(CC2CCC(=O)C2)c1 Amb27867267 [0,1,0,0,0,0|3,0,0]=4 376 B15R2.1115 Cc1cccc(CC2CCC(=O)O2)c1 Amb27850937 [0,1,0,0,0,0|3,0,0]=4 377 B15R2.1115 Cc1cccc(CC2CNC(=O)O2)c1 Amb27798346 [0,1,0,0,0,0|3,0,0]=4 378 B15R2.1115 Cc1cccc(CN2CCC(N)=N2)c1 Amb27772166 [0,1,0,0,0,0|2,0,0]=3 379 B15R2.1115 Cc1cccc(Cc2cc(N)on2)c1 Amb17234527 [0,1,0,0,0,0|2,0,1]=4 380 B15R2.1115 Cc1cccc(Cc2csc(N)n2)c1 Amb8887723 [0,1,0,0,0,0|0,1,2]=4 381 B15R2.1115 Cc1cccc(Cc2noc(S)n2)c1 Amb28387862 [0,1,0,0,0,0|2,0,1]=4 382 B15R2.1115 Cc1cccc(Cn2ccc(N)n2)c1 Amb2693483 [0,1,0,0,0,0|2,0,1]=4 383 B15R2.1115 Cc1cccc(Cn2ccc(N)n2)c1 Amb6332306 [0,1,0,0,0,0|2,0,1]=4 384 B15R2.1115 Cc1cccc(Cn2cnc(N)n2)c1 Amb1945758 [0,1,0,0,0,0|2,0,1]=4 385 B15R2.1115 Cc1cccc(Cn2ncc(N)n2)c1 Amb18820896 [0,1,0,0,0,0|3,0,0]=4 386 B15R2.1115 Cc1nc(Cc2cccc(Br)c2)no1 Amb18228256 [0,1,0,0,0,0|2,0,1]=4 387 B15R2.1115 Cc1nc(Cc2cccc(N)c2)no1 Amb18863412 [0,1,0,0,0,0|2,0,1]=4 388 B15R2.1115 Fc1cccc(Cc2noc(S)n2)c1 Amb27419265 [0,1,0,0,0,0|2,0,1]=4 389 B15R2.1115 NC1=NC(Cc2cccc(Cl)c2)CO1 Amb27856140 [0,1,0,0,0,0|0,0,0]=1 390 B15R2.1115 NC1=NC(Cc2cccc(F)c2)CO1 Amb27174275 [0,1,0,0,0,0|0,0,0]=1 391 B15R2.1115 Nc1cc(Cc2cccc(Br)c2)no1 Amb17263170 [0,1,0,0,0,0|2,0,1]=4 392 B15R2.1115 Nc1cc(Cc2cccc(Cl)c2)no1 Amb17240111 [0,1,0,0,0,0|2,0,1]=4 393 B15R2.1115 Nc1cccc(CC2CCC(=O)N2)c1 Amb18819187 [0,1,0,0,0,0|2,0,1]=4 394 B15R2.1115 Nc1ccn(Cc2cccc(Br)c2)n1 Amb7173310 [0,1,0,0,0,0|2,0,1]=4 395 B15R2.1115 Nc1ccn(Cc2cccc(Cl)c2)n1 Amb33534852 [0,1,0,0,0,0|2,0,1]=4 396 B15R2.1115 Nc1ccn(Cc2cccc(F)c2)n1 Amb1945794 [0,1,0,0,0,0|2,0,1]=4 397 B15R2.1115 Nc1ccn(Cc2cccc(O)c2)n1 Amb26567059 [0,1,0,0,0,0|2,0,1]=4 398 B15R2.1115 Nc1cnn(Cc2cccc(Br)c2)n1 Amb18154544 [0,1,0,0,0,0|3,0,0]=4 399 B15R2.1115 Nc1cnn(Cc2cccc(Cl)c2)n1 Amb18776409 [0,1,0,0,0,0|3,0,0]=4 400 B15R2.1115 Nc1cnn(Cc2cccc(F)c2)n1 Amb32702385 [0,1,0,0,0,0|3,0,0]=4 401 B15R2.1115 Nc1cnn(Cc2cccc(O)c2)n1 Amb32702381 [0,1,0,0,0,0|3,0,0]=4 402 B15R2.1115 Nc1nc(Cc2cccc(Br)c2)cs1 Amb8887726 [0,1,0,0,0,0|0,1,2]=4 403 B15R2.1115 Nc1nc(Cc2cccc(Br)c2)no1 Amb28203123 [0,1,0,0,0,0|1,0,1]=3 404 B15R2.1115 Nc1nc(Cc2cccc(Cl)c2)cs1 Amb8887725 [0,1,0,0,0,0|0,1,2]=4 405 B15R2.1115 Nc1ncn(Cc2cccc(Br)c2)n1 Amb13951772 [0,1,0,0,0,0|2,0,1]=4 406 B15R2.1115 Nc1ncn(Cc2cccc(Cl)c2)n1 Amb1946000 [0,1,0,0,0,0|2,0,1]=4 407 B15R2.1115 Nc1ncn(Cc2cccc(Cl)c2)n1 Amb32427975 [0,1,0,0,0,0|2,0,1]=4 408 B15R2.1115 Nc1ncn(Cc2cccc(F)c2)n1 Amb6462597 [0,1,0,0,0,0|2,0,1]=4 409 B15R2.1115 Nc1ncn(Cc2cccc(O)c2)n1 Amb27182298 [0,1,0,0,0,0|2,0,1]=4 410 B15R2.1115 Nc1noc(Cc2cccc(Br)c2)n1 Amb18695150 [0,1,0,0,0,0|2,0,1]=4 411 B15R2.1115 O=C1CC(Cc2cccc(Cl)c2)CN1 Amb28131641 [0,1,0,0,0,0|3,0,0]=4 412 B15R2.1115 O=C1CC(Cc2cccc(F)c2)CN1 Amb28400177 [0,1,0,0,0,0|3,0,0]=4 413 B15R2.1115 O=C1CCC(Cc2cccc(Cl)c2)N1 Amb27457427 [0,1,0,0,0,0|2,0,1]=4 414 B15R2.1115 O=C1CCC(Cc2cccc(I)c2)N1 Amb27476906 [0,1,0,0,0,0|2,0,1]=4 415 B15R2.1115 O=C1CCC(Cc2cccc(O)c2)O1 Amb20668453 [0,1,0,0,0,0|3,0,0]=4 416 B15R2.1115 O=C1CC[C@@H](Cc2cccc(O)c2)O1 Amb24506328 [0,1,0,0,0,0|3,0,0]=4 417 B15R2.1115 O=C1CC[C@H](Cc2cccc(O)c2)O1 Amb25073401 [0,1,0,0,0,0|3,0,0]=4 418 B15R2.1115 O=C1NCC(Cc2cccc(Br)c2)O1 Amb27200725 [0,1,0,0,0,0|3,0,0]=4 419 B15R2.1115 O=C1NCC(Cc2cccc(F)c2)O1 Amb24506386 [0,1,0,0,0,0|3,0,0]=4 420 B15R2.4083 CC1C(=O)NCC1Cc2ccccc2 Amb28056220 [0,1,0,0,0,0|3,0,0]=4 421 B15R2.4083 CC1C(=O)OCC1Nc2ccccc2 Amb27813303 [0,1,0,0,0,0|3,0,0]=4 422 B15R2.4083 CN1C(=O)NCC1Cc2ccccc2 Amb18061674 [0,1,0,0,0,0|2,0,1]=4 423 B15R2.4083 CN1C(=O)OCC1Cc2ccccc2 Amb18559293 [0,1,0,0,0,0|1,0,1]=3 424 B15R2.4083 O=C1OC[C@@H](Cc2ccccc2)[C@H]1O Amb27184414 [0,1,0,0,0,0|2,0,0]=3 425 B15R2.4086 CC1(Cc2ccccc2)CCC(=O)N1 Amb28183443 [0,1,0,0,0,0|2,0,1]=4 426 B15R2.4086 CC1(Cc2ccccc2)CCC(N)C1 Amb27809674 [0,1,0,0,0,0|2,0,1]=4 427 B15R2.4086 CC1(Cc2ccccc2)CN=C(N)N1 Amb27871879 [0,1,0,0,0,0|1,0,1]=3 428 B15R2.4086 CC1(Cc2ccccc2)CNC(=O)C1 Amb26416821 [0,1,0,0,0,0|3,0,0]=4 429 B15R2.4086 CC1(Cc2ccccc2)CNC(=S)C1 Amb27868403 [0,1,0,0,0,0|3,0,0]=4 430 B15R2.4086 CC1=CCC(N)(Cc2ccccc2)C1 Amb25765731 [0,1,0,0,0,0|3,0,0]=4 431 B15R2.4086 CC1CC(O)(Cc2ccccc2)CO1 Amb29850365 [0,1,0,0,0,0|2,0,1]=4 432 B15R2.4086 C[C@@]1(Cc2ccccc2)COC(=O)N1 Amb27841747 [0,1,0,0,0,0|1,0,1]=3 433 B15R2.4086 C[N+]1(Cc2ccccc2)CCC(N)=N1 Amb27484868 [0,1,0,0,0,0|2,0,0]=3 434 B15R2.4086 NC1=NP(=O)(Oc2ccccc2)CO1 Amb27631326 [0,1,0,0,0,0|2,0,0]=3 435 B15R2.4086 NC1=NP(=S)(Oc2ccccc2)CS1 Amb28248815 [0,1,0,0,0,0|2,1,0]=4 436 B15R2.4086 NC1CCC(O)(Cc2ccccc2)C1 Amb27217734 [0,1,0,0,0,0|2,0,1]=4 437 B15R2.7532 CC1(C)NC(Cc2ccccc2)CO1 Amb18563401 [0,1,0,0,0,0|1,0,2]=4 438 B15R2.7532 CC1(C)N[C@@H](Cc2ccccc2)CO1 Amb28368452 [0,1,0,0,0,0|1,0,2]=4 439 B13R1.79 CC=C=C(CO)Cc1ccccc1 Amb27978448 [0,0,1,0,0,0|2,0,1]=4 440 B13R1.79 [N-]=[N+]=NC(CO)Cc1ccccc1 Amb32954081 [0,0,1,0,0,0|1,0,1]=3 441 B13R1.337 CC(=O)CCCCc1ccccc1 Amb8392140 [0,0,1,0,0,0|3,0,0]=4 442 B13R1.337 CC(=O)OCCOc1ccccc1 Amb10560141 [0,0,1,0,0,0|3,0,0]=4 443 B13R1.337 CC(=O)OCOCc1ccccc1 Amb27879863 [0,0,1,0,0,0|3,0,0]=4 444 B13R1.337 N=C(N)CCCOc1ccccc1 Amb6281567 [0,0,1,0,0,0|2,0,0]=3 445 B13R1.337 N=C(N)CCCOc1ccccc1 Amb8630657 [0,0,1,0,0,0|2,0,0]=3 446 B13R1.337 N=C(N)CCOCc1ccccc1 Amb8630423 [0,0,1,0,0,0|2,0,0]=3 447 B13R1.337 N=C(N)NCCCc1ccccc1 Amb838721 [0,0,1,0,0,0|1,0,0]=2 448 B13R1.337 N=C(N)NCCNc1ccccn1 Amb28400381 [0,0,1,0,0,0|3,0,0]=4 449 B13R1.337 N=C(N)NC\C=C/c1ccccc1 Amb27778507 [0,0,1,0,0,0|1,0,2]=4 450 B13R1.337 N=C(N)SCCCc1ccccc1 Amb20676023 [0,0,1,0,0,0|0,1,0]=2 451 B13R1.337 N=C(N)SCCOc1ccccc1 Amb20676015 [0,0,1,0,0,0|1,1,0]=3 452 B13R1.337 N=C(N)SC\C=C/c1ccccc1 Amb23556552 [0,0,1,0,0,0|0,1,2]=4 453 B13R1.337 NC(=O)CCCSc1ccccc1 Amb8997736 [0,0,1,0,0,0|3,0,0]=4 454 B13R1.337 NC(=O)CCNCc1ccccc1 Amb1223227 [0,0,1,0,0,0|3,0,0]=4 455 B13R1.337 NC(=O)CCNCc1ccccc1 Amb7077033 [0,0,1,0,0,0|3,0,0]=4 456 B13R1.337 NC(=O)CCOCc1ccccc1 Amb18796124 [0,0,1,0,0,0|3,0,0]=4 457 B13R1.337 NC(=O)NCCCc1ccccc1 Amb19514748 [0,0,1,0,0,0|2,0,0]=3 458 B13R1.337 NC(=O)NCCOc1ccccc1 Amb6328297 [0,0,1,0,0,0|3,0,0]=4 459 B13R1.337 NC(=O)OCCCc1ccccc1 Amb8629108 [0,0,1,0,0,0|1,0,0]=2 460 B13R1.337 NC(=S)CCCOc1ccccc1 Amb6274847 [0,0,1,0,0,0|3,0,0]=4 461 B13R1.337 NC(=S)COCCc1ccccc1 Amb9208588 [0,0,1,0,0,0|3,0,0]=4 462 B13R1.337 NC(=S)NCCCc1ccccc1 Amb2690319 [0,0,1,0,0,0|2,0,0]=3 463 B13R1.337 NC(=S)NCCNc1ccccc1 Amb28398144 [0,0,1,0,0,0|3,0,0]=4 464 B13R1.337 O=C(Cl)CCCCc1ccccc1 Amb5739990 [0,0,1,0,0,0|3,0,0]=4 465 B13R1.337 O=C(Cl)OCCOc1ccccc1 Amb4135975 [0,0,1,0,0,0|3,0,0]=4 466 B13R1.337 O=C(O)CCCCc1ccccc1 Amb3940028 [0,0,1,0,0,0|3,0,0]=4 467 B13R1.348 CC(=N)NC(C)Cc1ccccc1 Amb27460929 [0,0,1,0,0,0|1,0,2]=4 468 B13R1.348 CC(=O)NC(C)Cc1ccccc1 Amb8503527 [0,0,1,0,0,0|1,0,2]=4 469 B13R1.348 CC(CC(=O)O)Cc1ccccc1 Amb17233403 [0,0,1,0,0,0|2,0,0]=3 470 B13R1.348 CC(CC(=O)O)Cc1ccccn1 Amb17335285 [0,0,1,0,0,0|3,0,0]=4 471 B13R1.348 CC(CC(=O)O)Cc1cccnc1 Amb17335287 [0,0,1,0,0,0|3,0,0]=4 472 B13R1.348 CC(CC(=O)O)Cc1ccncc1 Amb17335288 [0,0,1,0,0,0|3,0,0]=4 473 B13R1.348 CC(CC(=O)O)Nc1ccccc1 Amb9398389 [0,0,1,0,0,0|3,0,0]=4 474 B13R1.348 CC(CC(=O)O)Oc1ccccc1 Amb9397751 [0,0,1,0,0,0|3,0,0]=4 475 B13R1.348 CC(CC(N)=O)Nc1ccccc1 Amb17233441 [0,0,1,0,0,0|2,0,1]=4 476 B13R1.348 CC(CC(N)=O)Oc1ccccc1 Amb17233539 [0,0,1,0,0,0|2,0,1]=4 477 B13R1.348 CC(Cc1ccccc1)NC(=O)Cl Amb35625792 [0,0,1,0,0,0|1,0,2]=4 478 B13R1.348 CC(Cc1ccccc1)NC(N)=S Amb4430630 [0,0,1,0,0,0|0,1,1]=3 479 B13R1.348 CC(Cc1ccccc1)OC(=O)Cl Amb33297088 [0,0,1,0,0,0|2,0,1]=4 480 B13R1.348 CC(Cc1ccccn1)NC(=N)N Amb29889123 [0,0,1,0,0,0|2,0,1]=4 481 B13R1.348 CC(Cc1ccccn1)NC(N)=O Amb35692251 [0,0,1,0,0,0|1,0,2]=4 482 B13R1.348 CC(Cc1ccccn1)NC(N)=S Amb30022583 [0,0,1,0,0,0|1,1,1]=4 483 B13R1.348 CN(CC(=O)O)Cc1ccccc1 Amb33551957 [0,0,1,0,0,0|3,0,0]=4 484 B13R1.348 CN(CC(=O)O)Cc1ccccc1 Amb5768759 [0,0,1,0,0,0|3,0,0]=4 485 B13R1.348 CN(CC(N)=S)Cc1ccccc1 Amb6273835 [0,0,1,0,0,0|2,1,0]=4 486 B13R1.348 C[C@@H](CC(=O)O)Nc1ccccc1 Amb26519867 [0,0,1,0,0,0|3,0,0]=4 487 B13R1.348 C[C@H](CC(=O)O)Nc1ccccc1 Amb8397199 [0,0,1,0,0,0|3,0,0]=4 488 B13R1.348 C[C@H](Cc1ccccc1)NC(N)=O Amb25766034 [0,0,1,0,0,0|0,0,2]=3 489 B13R1.348 C\C(=C/C(=O)O)Cc1ccccc1 Amb17233183 [0,0,1,0,0,0|2,0,1]=4 490 B13R1.348 NC(=O)CC(N)Cc1ccccc1 Amb32787647 [0,0,1,0,0,0|2,0,1]=4 491 B13R1.348 NC(CC(=O)O)Cc1ccccc1 Amb20623358 [0,0,1,0,0,0|3,0,0]=4 492 B13R1.348 NC(CC(=O)O)Cc1ccccc1 Amb8631754 [0,0,1,0,0,0|3,0,0]=4 493 B13R1.348 N[C@@H](CC(=O)O)Cc1ccccc1 Amb16184010 [0,0,1,0,0,0|3,0,0]=4 494 B13R1.348 N[C@@H](CC(=O)O)Cc1ccccc1 Amb2697591 [0,0,1,0,0,0|3,0,0]=4 495 B13R1.348 N[C@H](CC(=O)O)Cc1ccccc1 Amb2699235 [0,0,1,0,0,0|3,0,0]=4 496 B13R1.348 N[C@H](CC(=O)O)Cc1ccccc1 Amb8629294 [0,0,1,0,0,0|3,0,0]=4 497 B13R1.348 O=C(O)CC(Br)Cc1ccccc1 Amb18111137 [0,0,1,0,0,0|3,0,0]=4 498 B13R1.348 O=C(O)CC(Cl)Cc1ccccc1 Amb18111136 [0,0,1,0,0,0|3,0,0]=4 499 B13R1.348 O=C(O)CC(O)Cc1ccccc1 Amb17233662 [0,0,1,0,0,0|3,0,0]=4 500 B13R1.348 O=C(O)C[C@@H](O)Cc1ccccc1 Amb32951764 [0,0,1,0,0,0|3,0,0]=4 501 B13R1.348 O=C(O)C[C@H](O)Cc1ccccc1 Amb33082324 [0,0,1,0,0,0|3,0,0]=4 502 B13R1.718 CCC(=O)OCCc1ccccc1 Amb6357956 [0,0,1,0,0,0|3,0,0]=4 503 B13R1.718 CNC(=O)CCCc1ccccc1 Amb3886751 [0,0,1,0,0,0|3,0,0]=4 504 B13R1.718 CNC(=O)NCCc1ccccc1 Amb2132768 [0,0,1,0,0,0|2,0,1]=4 505 B13R1.718 COC(=O)CCCc1ccccc1 Amb2720838 [0,0,1,0,0,0|2,0,0]=3 506 B13R1.718 COC(=O)CCCc1cccnc1 Amb24066737 [0,0,1,0,0,0|3,0,0]=4 507 B13R1.718 COC(=O)CCCc1ccncc1 Amb19888651 [0,0,1,0,0,0|3,0,0]=4 508 B13R1.718 COC(=O)CCNc1ccccc1 Amb1930724 [0,0,1,0,0,0|3,0,0]=4 509 B13R1.718 COC(=O)CNCc1ccccc1 Amb21929289 [0,0,1,0,0,0|3,0,0]=4 510 B13R1.718 COC(=O)CNCc1ccccc1 Amb6687129 [0,0,1,0,0,0|3,0,0]=4 511 B13R1.718 COC(=O)COCc1ccccc1 Amb7755418 [0,0,1,0,0,0|3,0,0]=4 512 B13R1.718 COC(=O)NNCc1ccccc1 Amb27972025 [0,0,1,0,0,0|2,0,1]=4 513 B13R1.718 COC(=O)NOCc1ccccc1 Amb25359225 [0,0,1,0,0,0|2,0,1]=4 514 B13R1.718 COC(=O)\C=C\Cc1ccccc1 Amb30647398 [0,0,1,0,0,0|2,0,1]=4 515 B13R1.718 CSC(=S)NCCc1ccccc1 Amb5716139 [0,0,1,0,0,0|1,1,1]=4 516 B13R1.718 CS\C(N)=N\N=C\c1ccccc1 Amb25233191 [0,0,1,0,0,0|1,1,1]=4 517 B13R1.718 N\C(=N/O)NCCc1ccccc1 Amb18809201 [0,0,1,0,0,0|2,0,1]=4 518 B13R1.718 N\C(CCCc1ccccc1)=N/O Amb9714178 [0,0,1,0,0,0|3,0,0]=4 519 B13R1.718 N\C(CCCc1ccccc1)=N\O Amb22551827 [0,0,1,0,0,0|3,0,0]=4 520 B13R1.718 O=C(CCCc1ccccc1)O[Na] Amb8393622 [0,0,1,0,0,0|3,0,0]=4 521 B15R3.514 O=C1C[C@@H]2C(c3ccccc3)[C@@H]2C1 Amb27802567 [0,0,0,1,0,0|3,0,0]=4 522 B15R3.514 O=C1C[C@@H]2[C@H](c3ccccc3)[C@@H]2C1 Amb27861275 [0,0,0,1,0,0|3,0,0]=4 523 B15R3.2009 NC1=NC2Cc3ccccc3C2O1 Amb28396548 [0,0,0,1,0,0|0,0,0]=1 524 B15R3.2009 Nc1nc-2n(n1)Cc3ccccc32 Amb27180078 [0,0,0,1,0,0|2,0,1]=4 525 B15R3.2009 O=C1CC2Cc3ccccc3C2O1 Amb7090692 [0,0,0,1,0,0|2,0,0]=3 526 B15R3.2009 O=C1CC2c3ccccc3CC2N1 Amb27754100 [0,0,0,1,0,0|2,0,1]=4 527 B15R3.2009 O=C1C[C@H]2c3ccccc3C[C@H]2O1 Amb27471814 [0,0,0,1,0,0|3,0,0]=4 528 B15R3.2009 O=C1NC2c3ccccc3CC2O1 Amb26904587 [0,0,0,1,0,0|3,0,0]=4 529 B15R3.2009 O=C1N[C@H]2c3ccccc3C[C@H]2O1 Amb22336679 [0,0,0,1,0,0|3,0,0]=4 530 B15R3.2009 S=C1NC2c3ccccc3CC2S1 Amb27614411 [0,0,0,1,0,0|3,0,0]=4 531 B15R3.2009 S=C1N[C@@H]2c3ccccc3C[C@@H]2O1 Amb27646517 [0,0,0,1,0,0|3,0,0]=4 532 B15R3.10083 O=C1CC[C@@H]2Cc3ccccc3[C@H]12 Amb28324331 [0,0,0,1,0,0|3,0,0]=4 533 B13R2.10 Brc1nc(-c2ccccc2)co1 Amb28400187 [0,0,0,0,1,0|1,0,2]=4 534 B13R2.10 Brc1nc(-c2ccccc2)no1 Amb22304287 [0,0,0,0,1,0|2,0,1]=4 535 B13R2.10 CC1=NC(c2ccccc2)CN1 Amb28071281 [0,0,0,0,1,0|2,0,0]=3 536 B13R2.10 CC1=NN(c2ccccc2)CC1 Amb2613383 [0,0,0,0,1,0|3,0,0]=4 537 B13R2.10 CC1NC(c2ccccc2)CO1 Amb27790805 [0,0,0,0,1,0|1,0,2]=4 538 B13R2.10 Cc1nc(-c2ccccc2)co1 Amb17400054 [0,0,0,0,1,0|1,0,2]=4 539 B13R2.10 Cc1nc(-c2ccccc2)no1 Amb2766523 [0,0,0,0,1,0|2,0,1]=4 540 B13R2.10 ClC1=NN(c2ccccc2)CC1 Amb6392965 [0,0,0,0,1,0|3,0,0]=4 541 B13R2.10 Clc1nc(-c2ccccc2)no1 Amb6892636 [0,0,0,0,1,0|2,0,1]=4 542 B13R2.10 Ic1nc(-c2ccccc2)co1 Amb25095972 [0,0,0,0,1,0|1,0,2]=4 543 B13R2.10 N=C1N[C@@H](c2ccccc2)CO1 Amb25326051 [0,0,0,0,1,0|0,0,2]=3 544 B13R2.10 NC1=CN(c2ccccc2)CC1 Amb3986221 [0,0,0,0,1,0|3,0,0]=4 545 B13R2.10 NC1=NC(c2ccccc2)CO1 Amb33548336 [0,0,0,0,1,0|0,0,0]=1 546 B13R2.10 NC1=NC(c2ccccc2)CS1 Amb5539536 [0,0,0,0,1,0|0,1,0]=2 547 B13R2.10 NC1=NC(c2ccccc2)N=C1 Amb33718551 [0,0,0,0,1,0|2,0,0]=3 548 B13R2.10 NC1=NC(c2cccnc2)CO1 Amb28249320 [0,0,0,0,1,0|1,0,0]=2 549 B13R2.10 NC1=NCC(c2ccccc2)N1 Amb27644507 [0,0,0,0,1,0|1,0,1]=3 550 B13R2.10 NC1=NCC(c2ccccc2)O1 Amb17608294 [0,0,0,0,1,0|2,0,0]=3 551 B13R2.10 NC1=NN(c2ccccc2)CC1 Amb6317925 [0,0,0,0,1,0|2,0,0]=3 552 B13R2.10 NC1=NNC(c2ccccc2)S1 Amb25152640 [0,0,0,0,1,0|3,0,0]=4 553 B13R2.10 NC1=NOC(c2ccccc2)C1 Amb17594037 [0,0,0,0,1,0|3,0,0]=4 554 B13R2.10 NC1=N[C@H](c2ccccc2)CO1 Amb26946059 [0,0,0,0,1,0|0,0,0]=1 555 B13R2.10 NC1=N[C@H](c2ccccc2)CS1 Amb27389470 [0,0,0,0,1,0|0,1,0]=2 556 B13R2.10 NC1CCC(c2ccccc2)C1 Amb17400101 [0,0,0,0,1,0|2,0,1]=4 557 B13R2.10 NC1CCC(c2ccccc2)C1 Amb28555798 [0,0,0,0,1,0|2,0,1]=4 558 B13R2.10 NN1CCC(c2ccccc2)C1 Amb26605785 [0,0,0,0,1,0|3,0,0]=4 559 B13R2.10 N[C@@H]1CC[C@H](c2ccccc2)C1 Amb26394038 [0,0,0,0,1,0|2,0,1]=4 560 B13R2.10 N[C@H]1CC[C@@H](c2ccccc2)C1 Amb27660989 [0,0,0,0,1,0|2,0,1]=4 561 B13R2.10 N[C@H]1CC[C@@H](c2ccccc2)C1 Amb32663166 [0,0,0,0,1,0|2,0,1]=4 562 B13R2.10 N[C@H]1CC[C@H](c2ccccc2)C1 Amb27449247 [0,0,0,0,1,0|2,0,1]=4 563 B13R2.10 Nc1cc(-c2ccccc2)co1 Amb10600638 [0,0,0,0,1,0|1,0,2]=4 564 B13R2.10 Nc1cc(-c2ccccc2)no1 Amb1156941 [0,0,0,0,1,0|2,0,1]=4 565 B13R2.10 Nc1ccn(-c2ccccc2)n1 Amb1028245 [0,0,0,0,1,0|2,0,1]=4 566 B13R2.10 Nc1ccn(-c2ccccc2)n1 Amb8564022 [0,0,0,0,1,0|2,0,1]=4 567 B13R2.10 Nc1cnn(-c2ccccc2)n1 Amb9804904 [0,0,0,0,1,0|3,0,0]=4 568 B13R2.10 Nc1coc(-c2ccccc2)n1 Amb28126972 [0,0,0,0,1,0|2,0,1]=4 569 B13R2.10 Nc1csc(-c2ccccc2)n1 Amb10599942 [0,0,0,0,1,0|2,0,1]=4 570 B13R2.10 Nc1csc(-c2ccccc2)n1 Amb32664885 [0,0,0,0,1,0|2,0,1]=4 571 B13R2.10 Nc1nc(-c2ccccc2)co1 Amb33529509 [0,0,0,0,1,0|0,0,2]=3 572 B13R2.10 Nc1nc(-c2ccccc2)cs1 Amb18090789 [0,0,0,0,1,0|0,1,2]=4 573 B13R2.10 Nc1nc(-c2ccccc2)cs1 Amb6317061 [0,0,0,0,1,0|0,1,2]=4 574 B13R2.10 Nc1nc(-c2ccccc2)cs1 Amb6366077 [0,0,0,0,1,0|0,1,2]=4 575 B13R2.10 Nc1nc(-c2ccccc2)cs1 Amb6878777 [0,0,0,0,1,0|0,1,2]=4 576 B13R2.10 Nc1nc(-c2ccccc2)no1 Amb6439807 [0,0,0,0,1,0|1,0,1]=3 577 B13R2.10 Nc1nc(-c2ccccc2)ns1 Amb2576540 [0,0,0,0,1,0|1,1,1]=4 578 B13R2.10 Nc1nc(-c2cccnc2)no1 Amb13952538 [0,0,0,0,1,0|2,0,1]=4 579 B13R2.10 Nc1ncn(-c2ccccc2)n1 Amb27484035 [0,0,0,0,1,0|2,0,1]=4 580 B13R2.10 Nc1noc(-c2ccccc2)n1 Amb1147537 [0,0,0,0,1,0|2,0,1]=4 581 B13R2.10 Nc1nsc(-c2ccccc2)n1 Amb2724919 [0,0,0,0,1,0|2,0,1]=4 582 B13R2.10 O=C1C=C(c2ccccc2)CO1 Amb24633865 [0,0,0,0,1,0|2,0,1]=4 583 B13R2.10 O=C1CC(c2ccccc2)CN1 Amb1772919 [0,0,0,0,1,0|3,0,0]=4 584 B13R2.10 O=C1CC(c2ccccc2)CO1 Amb28280068 [0,0,0,0,1,0|2,0,0]=3 585 B13R2.10 O=C1CCC(c2ccccc2)C1 Amb17138497 [0,0,0,0,1,0|3,0,0]=4 586 B13R2.10 O=C1CCC(c2ccccc2)N1 Amb17470413 [0,0,0,0,1,0|2,0,1]=4 587 B13R2.10 O=C1CCC(c2ccccc2)O1 Amb4393092 [0,0,0,0,1,0|3,0,0]=4 588 B13R2.10 O=C1CC[C@@H](c2ccccc2)C1 Amb24323281 [0,0,0,0,1,0|3,0,0]=4 589 B13R2.10 O=C1CC[C@@H](c2ccccc2)N1 Amb27242426 [0,0,0,0,1,0|2,0,1]=4 590 B13R2.10 O=C1CC[C@H](c2ccccc2)C1 Amb24484347 [0,0,0,0,1,0|3,0,0]=4 591 B13R2.10 O=C1CC[C@H](c2ccccc2)N1 Amb27227911 [0,0,0,0,1,0|2,0,1]=4 592 B13R2.10 O=C1CC[C@H](c2ccccc2)O1 Amb28437127 [0,0,0,0,1,0|3,0,0]=4 593 B13R2.10 O=C1C[C@@H](c2ccccc2)CN1 Amb25277165 [0,0,0,0,1,0|3,0,0]=4 594 B13R2.10 O=C1C[C@@H](c2ccccc2)CO1 Amb27451585 [0,0,0,0,1,0|2,0,0]=3 595 B13R2.10 O=C1C[C@H](c2ccccc2)CN1 Amb23401452 [0,0,0,0,1,0|3,0,0]=4 596 B13R2.10 O=C1NC(c2ccccc2)CO1 Amb6346517 [0,0,0,0,1,0|1,0,1]=3 597 B13R2.10 O=C1NC(c2ccccc2)CS1 Amb23439132 [0,0,0,0,1,0|1,1,1]=4 598 B13R2.10 O=C1NC(c2ccccn2)CO1 Amb27828129 [0,0,0,0,1,0|2,0,1]=4 599 B13R2.10 O=C1NC(c2cccnc2)CO1 Amb26970930 [0,0,0,0,1,0|2,0,1]=4 600 B13R2.10 O=C1NC(c2ccncc2)CO1 Amb26484901 [0,0,0,0,1,0|2,0,1]=4 601 B13R2.10 O=C1NCC(c2ccccc2)N1 Amb22056050 [0,0,0,0,1,0|2,0,1]=4 602 B13R2.10 O=C1NCC(c2ccccc2)O1 Amb16232576 [0,0,0,0,1,0|3,0,0]=4 603 B13R2.10 O=C1NCC(c2ccccc2)S1 Amb27614799 [0,0,0,0,1,0|3,0,0]=4 604 B13R2.10 O=C1NC[C@@H](c2ccccc2)O1 Amb24574681 [0,0,0,0,1,0|3,0,0]=4 605 B13R2.10 O=C1N[C@@H](c2ccccc2)CO1 Amb6295901 [0,0,0,0,1,0|1,0,1]=3 606 B13R2.10 O=C1N[C@@H](c2ccccc2)CS1 Amb28143674 [0,0,0,0,1,0|1,1,1]=4 607 B13R2.10 O=C1N[C@@H](c2ccccn2)CO1 Amb27783384 [0,0,0,0,1,0|2,0,1]=4 608 B13R2.10 O=C1N[C@H](c2ccccc2)CO1 Amb6295900 [0,0,0,0,1,0|1,0,1]=3 609 B13R2.10 O=C1N[C@H](c2ccccc2)CS1 Amb24653499 [0,0,0,0,1,0|1,1,1]=4 610 B13R2.10 O=C1N[C@H](c2cccnc2)CO1 Amb27389439 [0,0,0,0,1,0|2,0,1]=4 611 B13R2.10 O=C1OCC(c2ccccc2)O1 Amb27790954 [0,0,0,0,1,0|2,0,0]=3 612 B13R2.10 OC1=NCC(c2ccccc2)C1 Amb19866679 [0,0,0,0,1,0|3,0,0]=4 613 B13R2.10 OC1CC(c2ccccc2)CO1 Amb22752509 [0,0,0,0,1,0|2,0,1]=4 614 B13R2.10 Oc1nc(-c2ccccc2)co1 Amb22370821 [0,0,0,0,1,0|1,0,2]=4 615 B13R2.10 Oc1nc(-c2ccccc2)no1 Amb19651317 [0,0,0,0,1,0|2,0,1]=4 616 B13R2.10 S=C1NC(c2ccccc2)CO1 Amb26880718 [0,0,0,0,1,0|1,0,1]=3 617 B13R2.10 S=C1NC(c2ccccc2)CS1 Amb24101079 [0,0,0,0,1,0|1,1,1]=4 618 B13R2.10 S=C1NCC(c2ccccc2)N1 Amb26517983 [0,0,0,0,1,0|2,0,1]=4 619 B13R2.10 S=C1NCC(c2ccccc2)O1 Amb27817813 [0,0,0,0,1,0|3,0,0]=4 620 B13R2.10 S=C1N[C@@H](c2ccccc2)CS1 Amb8629189 [0,0,0,0,1,0|1,1,1]=4 621 B13R2.10 S=C1N[C@H](c2ccccc2)CS1 Amb8629190 [0,0,0,0,1,0|1,1,1]=4 622 B13R2.10 Sc1nc(-c2ccccc2)co1 Amb19943960 [0,0,0,0,1,0|1,0,2]=4 623 B13R2.10 Sc1nc(-c2ccccc2)no1 Amb18790934 [0,0,0,0,1,0|2,0,1]=4 624 B13R2.27 NC1CCC1Cc2cccnc2 Amb27648819 [0,0,0,0,1,0|2,0,1]=4 625 B13R2.27 O=C1CCC1Cc2ccccc2 Amb27177755 [0,0,0,0,1,0|2,0,0]=3 626 B13R2.27 O=C1CCN1Cc2ccccc2 Amb25117461 [0,0,0,0,1,0|3,0,0]=4 627 B13R2.27 O=C1COC1Cc2ccccc2 Amb35789727 [0,0,0,0,1,0|3,0,0]=4 628 B13R2.27 O=C1NCC1Cc2ccccc2 Amb27855620 [0,0,0,0,1,0|2,0,0]=3 629 B13R2.27 OC1CCC1Cc2ccccc2 Amb33213493 [0,0,0,0,1,0|2,0,1]=4 630 B13R2.27 S=C1CCN1Cc2ccccc2 Amb25837349 [0,0,0,0,1,0|3,0,0]=4 631 B13R2.31 NC1CC(Cc2ccccc2)C1 Amb23401475 [0,0,0,0,1,0|1,0,1]=3 632 B13R2.31 NC1CC(Cc2ccccc2)C1 Amb27237117 [0,0,0,0,1,0|1,0,1]=3 633 B13R2.31 NC1CC(Nc2ccccc2)C1 Amb30585007 [0,0,0,0,1,0|2,0,1]=4 634 B13R2.31 NC1CC(Oc2ccccc2)C1 Amb25148808 [0,0,0,0,1,0|2,0,1]=4 635 B13R2.31 NC1CC(Oc2ccccc2)C1 Amb32665363 [0,0,0,0,1,0|2,0,1]=4 636 B13R2.31 NC1CC(Sc2ccccc2)C1 Amb32663438 [0,0,0,0,1,0|2,0,1]=4 637 B13R2.31 NC1CC(Sc2ccccc2)C1 Amb32668952 [0,0,0,0,1,0|2,0,1]=4 638 B13R2.31 NC1CN(Cc2ccccc2)C1 Amb20240966 [0,0,0,0,1,0|2,0,1]=4 639 B13R2.31 NC1CN(Cc2ccccc2)C1 Amb21963554 [0,0,0,0,1,0|2,0,1]=4 640 B13R2.31 N[C@H]1C[C@@H](Oc2ccccc2)C1 Amb25350924 [0,0,0,0,1,0|2,0,1]=4 641 B13R2.31 N[C@H]1C[C@@H](Oc2ccccc2)C1 Amb32665452 [0,0,0,0,1,0|2,0,1]=4 642 B13R2.31 N[C@H]1C[C@H](Oc2ccccc2)C1 Amb24439570 [0,0,0,0,1,0|2,0,1]=4 643 B13R2.31 N[C@H]1C[C@H](Oc2ccccc2)C1 Amb32666880 [0,0,0,0,1,0|2,0,1]=4 644 B13R2.31 N[C@H]1C[C@H](Sc2ccccc2)C1 Amb32664872 [0,0,0,0,1,0|2,0,1]=4 645 B13R2.31 N[C@H]1C[C@H](Sc2ccccc2)C1 Amb32664874 [0,0,0,0,1,0|2,0,1]=4 646 B13R2.31 O=C1CC(Cc2ccccc2)C1 Amb23401474 [0,0,0,0,1,0|2,0,0]=3 647 B13R2.31 O=C1CC(Cc2ccccc2)N1 Amb27468739 [0,0,0,0,1,0|1,0,1]=3 648 B13R2.31 O=C1CC(Oc2ccccc2)C1 Amb23439309 [0,0,0,0,1,0|3,0,0]=4 649 B13R2.31 O=C1CC(Sc2ccccc2)C1 Amb32670640 [0,0,0,0,1,0|3,0,0]=4 650 B13R2.31 O=C1CC(Sc2ccccc2)N1 Amb27264782 [0,0,0,0,1,0|2,0,1]=4 651 B13R2.31 O=C1CC([Se]c2ccccc2)N1 Amb2612117 [0,0,0,0,1,0|2,0,1]=4 652 B13R2.31 O=C1CN(Cc2ccccc2)C1 Amb10602421 [0,0,0,0,1,0|3,0,0]=4 653 B13R2.31 O=C1C[C@@H](Cc2ccccc2)N1 Amb28243189 [0,0,0,0,1,0|1,0,1]=3 654 B13R2.31 O=C1C[C@@H](Sc2ccccc2)N1 Amb27647757 [0,0,0,0,1,0|2,0,1]=4 655 B13R2.31 OC1CC(Cc2ccccc2)C1 Amb23401472 [0,0,0,0,1,0|2,0,1]=4 656 B13R2.142 NC1=N[C@H](Cc2cccs2)CS1 Amb27389460 [0,0,0,0,1,0|1,1,0]=3 657 B13R2.142 NC1=N[C@H](Cc2cscn2)CS1 Amb27751185 [0,0,0,0,1,0|2,1,0]=4 658 B13R2.142 NC1=N[C@H](Cn2ccnc2)CS1 Amb28252283 [0,0,0,0,1,0|2,1,0]=4 659 B13R2.142 Nc1nc(Cc2cccs2)no1 Amb18962167 [0,0,0,0,1,0|2,0,1]=4 660 B13R2.142 O=C1NC(Cc2ccco2)CO1 Amb28040921 [0,0,0,0,1,0|2,0,1]=4 661 B15R2.29 CC1CNC(Cc2ccccc2)CO1 Amb18563409 [0,0,0,0,0,1|1,0,2]=4 662 B15R2.29 NC1=NNC(Cc2ccccc2)=NN1 Amb20414086 [0,0,0,0,0,1|2,0,1]=4 663 B15R2.29 NC1CCC(Cc2ccccc2)CC1 Amb24601775 [0,0,0,0,0,1|2,0,1]=4 664 B15R2.29 NN1CCC(Cc2ccccc2)CC1 Amb836805 [0,0,0,0,0,1|3,0,0]=4 665 B15R2.29 Nc1ccc(Cc2ccccc2)cn1 Amb18648928 [0,0,0,0,0,1|1,0,2]=4 666 B15R2.29 Nc1ccc(Cc2ccccc2)nc1 Amb18191583 [0,0,0,0,0,1|1,0,2]=4 667 B15R2.29 Nc1ccc(Cc2ccccc2)nn1 Amb18822485 [0,0,0,0,0,1|1,0,2]=4 668 B15R2.29 Nc1cnc(Cc2ccccc2)nc1 Amb8836182 [0,0,0,0,0,1|2,0,1]=4 669 B15R2.29 O=C1C=CC(Cc2ccccc2)CC1 Amb25793582 [0,0,0,0,0,1|3,0,0]=4 670 B15R2.29 O=C1CCC(Cc2ccccc2)CC1 Amb13777318 [0,0,0,0,0,1|3,0,0]=4 671 B15R2.29 O=C1CCC(Cc2ccccc2)CN1 Amb27388034 [0,0,0,0,0,1|2,0,1]=4 672 B15R2.29 O=C1CNC(Cc2ccccc2)CN1 Amb18819212 [0,0,0,0,0,1|2,0,1]=4 673 B15R2.29 O=C1COC(Cc2ccccc2)CN1 Amb26405206 [0,0,0,0,0,1|3,0,0]=4 674 B15R2.29 O=C1NCC(Cc2ccccc2)CO1 Amb28346309 [0,0,0,0,0,1|1,0,1]=3 675 B15R2.29 O=C1OCC(Nc2ccccc2)CO1 Amb28121065 [0,0,0,0,0,1|3,0,0]=4 676 B15R2.29 SC1=NCN(Cc2ccccc2)CN1 Amb9833295 [0,0,0,0,0,1|3,0,0]=4 677 B15R2.31 C=C1CCNC(Cc2ccccc2)C1 Amb18649678 [0,0,0,0,0,1|3,0,0]=4 678 B15R2.31 CC1COCC(Cc2ccccc2)N1 Amb18564882 [0,0,0,0,0,1|1,0,2]=4 679 B15R2.31 CC1NC(Cc2ccccc2)CCO1 Amb33193767 [0,0,0,0,0,1|1,0,2]=4 680 B15R2.31 N=C1CCCC(Cc2ccccc2)N1 Amb27746856 [0,0,0,0,0,1|1,0,2]=4 681 B15R2.31 NC1=NC(Cc2ccccc2)CCS1 Amb28074102 [0,0,0,0,0,1|0,1,0]=2 682 B15R2.31 NC1=N\C(=N\c2ccccc2)SCS1 Amb27972449 [0,0,0,0,0,1|1,1,1]=4 683 B15R2.31 NC1CNCC(Cc2ccccc2)C1 Amb28121851 [0,0,0,0,0,1|2,0,1]=4 684 B15R2.31 N[C@@H]1CNCC(Cc2ccccc2)C1 Amb28410765 [0,0,0,0,0,1|2,0,1]=4 685 B15R2.31 Nc1cccc(Cc2ccccc2)n1 Amb8630259 [0,0,0,0,0,1|1,0,2]=4 686 B15R2.31 Nc1ccnc(Cc2ccccc2)n1 Amb18959417 [0,0,0,0,0,1|1,0,2]=4 687 B15R2.31 Nc1ncnc(Cc2ccccc2)n1 Amb27644348 [0,0,0,0,0,1|1,0,2]=4 688 B15R2.31 O=C1CC(Cc2ccccc2)CCN1 Amb25835625 [0,0,0,0,0,1|3,0,0]=4 689 B15R2.31 O=C1CC(Cc2ccccc2)CCO1 Amb27963030 [0,0,0,0,0,1|2,0,0]=3 690 B15R2.31 O=C1CCNC(Cc2ccccc2)C1 Amb28457239 [0,0,0,0,0,1|3,0,0]=4 691 B15R2.31 O=C1CCOC(Cc2ccccc2)C1 Amb27746791 [0,0,0,0,0,1|3,0,0]=4 692 B15R2.31 O=C1CN(Cc2ccccc2)CCO1 Amb22490281 [0,0,0,0,0,1|3,0,0]=4 693 B15R2.31 O=C1CNCC(Cc2ccccc2)N1 Amb27748147 [0,0,0,0,0,1|2,0,1]=4 694 B15R2.31 O=C1CNC[C@@H](Cc2ccccc2)N1 Amb26019569 [0,0,0,0,0,1|2,0,1]=4 695 B15R2.31 O=C1CNC[C@@H](Cc2ccccc2)N1 Amb32434776 [0,0,0,0,0,1|2,0,1]=4 696 B15R2.31 O=C1CNC[C@H](Cc2ccccc2)N1 Amb25791537 [0,0,0,0,0,1|2,0,1]=4 697 B15R2.31 O=C1CNC[C@H](Cc2ccccc2)N1 Amb32434778 [0,0,0,0,0,1|2,0,1]=4 698 B15R2.31 O=C1CNC[C@H](Cc2ccccc2)O1 Amb27387011 [0,0,0,0,0,1|3,0,0]=4 699 B15R2.31 O=C1COCC(Cc2ccccc2)N1 Amb21864802 [0,0,0,0,0,1|1,0,1]=3 700 B15R2.31 O=C1COC[C@@H](Cc2ccccc2)N1 Amb25082881 [0,0,0,0,0,1|1,0,1]=3 701 B15R2.31 O=C1COC[C@H](Cc2ccccc2)N1 Amb25725966 [0,0,0,0,0,1|1,0,1]=3 702 B15R2.31 O=C1NC(Cc2ccccc2)CCO1 Amb8392176 [0,0,0,0,0,1|1,0,1]=3 703 B15R2.31 O=C1NNCC(Cc2ccccc2)N1 Amb28203971 [0,0,0,0,0,1|2,0,1]=4 704 B15R2.31 OC1CC(Cc2ccccc2)CCO1 Amb28350051 [0,0,0,0,0,1|2,0,1]=4 705 B15R2.283 CC1CC(NCc2ccccc2)CO1 Amb35686686 [0,0,0,0,0,1|2,0,1]=4 706 B15R2.283 NC1=NC(CSc2ccccc2)CO1 Amb27784910 [0,0,0,0,0,1|0,0,0]=1 707 B15R2.283 NC1=NCC(CCc2ccccc2)O1 Amb27746954 [0,0,0,0,0,1|2,0,0]=3 708 B15R2.283 NC1=NCC(CSc2ccccc2)O1 Amb17595588 [0,0,0,0,0,1|2,0,0]=3 709 B15R2.283 NC1=N[C@@H](CCc2ccccc2)CO1 Amb27969242 [0,0,0,0,0,1|0,0,0]=1 710 B15R2.283 NC1=N[C@H](CCc2ccccc2)CO1 Amb27879567 [0,0,0,0,0,1|0,0,0]=1 711 B15R2.283 NC1=N[C@H](CCc2ccccn2)CS1 Amb27950924 [0,0,0,0,0,1|1,1,0]=3 712 B15R2.283 NC1=N[C@H](CCc2cccnc2)CS1 Amb27868556 [0,0,0,0,0,1|1,1,0]=3 713 B15R2.283 NC1=N[C@H](COc2ccccc2)CO1 Amb27464440 [0,0,0,0,0,1|0,0,0]=1 714 B15R2.283 NC1CCC(NCc2ccccc2)C1 Amb26368245 [0,0,0,0,0,1|2,0,1]=4 715 B15R2.283 N[C@@H]1CC[C@H](OCc2ccccc2)C1 Amb27645298 [0,0,0,0,0,1|2,0,1]=4 716 B15R2.283 N[C@H]1CC[C@@H](OCc2ccccc2)C1 Amb33716086 [0,0,0,0,0,1|2,0,1]=4 717 B15R2.283 N[C@H]1CC[C@H](OCc2ccccc2)C1 Amb28321591 [0,0,0,0,0,1|2,0,1]=4 718 B15R2.283 Nc1c[n+](CCc2ccccc2)no1 Amb19650266 [0,0,0,0,0,1|3,0,0]=4 719 B15R2.283 Nc1cc(CCc2ccccc2)no1 Amb33529147 [0,0,0,0,0,1|2,0,1]=4 720 B15R2.283 Nc1cc(COc2ccccc2)no1 Amb17234868 [0,0,0,0,0,1|2,0,1]=4 721 B15R2.283 Nc1ccn(CCc2ccccc2)n1 Amb7173304 [0,0,0,0,0,1|2,0,1]=4 722 B15R2.283 Nc1cnn(CCc2ccccc2)n1 Amb32702378 [0,0,0,0,0,1|3,0,0]=4 723 B15R2.283 Nc1csc(CCc2ccccc2)n1 Amb28341882 [0,0,0,0,0,1|2,0,1]=4 724 B15R2.283 Nc1nc(CCc2ccccc2)cs1 Amb17238165 [0,0,0,0,0,1|0,1,2]=4 725 B15R2.283 Nc1nc(CCc2ccccc2)ns1 Amb18292122 [0,0,0,0,0,1|1,1,1]=4 726 B15R2.283 Nc1nc(CCc2ccccn2)no1 Amb35722902 [0,0,0,0,0,1|2,0,1]=4 727 B15R2.283 Nc1nc(CNc2ccccc2)cs1 Amb18865210 [0,0,0,0,0,1|0,1,2]=4 728 B15R2.283 Nc1nc(COc2ccccc2)cs1 Amb32671106 [0,0,0,0,0,1|0,1,2]=4 729 B15R2.283 Nc1nc(COc2ccccc2)cs1 Amb33526374 [0,0,0,0,0,1|0,1,2]=4 730 B15R2.283 Nc1nc(COc2ccccc2)no1 Amb18995138 [0,0,0,0,0,1|1,0,1]=3 731 B15R2.283 Nc1nc(COc2ccccc2)ns1 Amb18300287 [0,0,0,0,0,1|1,1,1]=4 732 B15R2.283 Nc1nc(CSc2ccccc2)cs1 Amb8830551 [0,0,0,0,0,1|0,1,2]=4 733 B15R2.283 Nc1nc(NCc2ccccc2)no1 Amb27968590 [0,0,0,0,0,1|1,0,1]=3 734 B15R2.283 Nc1nc(OCc2ccccc2)ns1 Amb27827438 [0,0,0,0,0,1|1,1,1]=4 735 B15R2.283 Nc1nc(SCc2ccccc2)ns1 Amb6356913 [0,0,0,0,0,1|1,1,1]=4 736 B15R2.283 Nc1ncn(CCc2ccccc2)n1 Amb19747703 [0,0,0,0,0,1|2,0,1]=4 737 B15R2.283 Nc1noc(NCc2ccccc2)n1 Amb27478077 [0,0,0,0,0,1|2,0,1]=4 738 B15R2.283 Nc1nsc(OCc2ccccc2)n1 Amb27428940 [0,0,0,0,0,1|2,0,1]=4 739 B15R2.283 Nc1nsc(SCc2ccccc2)n1 Amb2684329 [0,0,0,0,0,1|2,0,1]=4 740 B15R2.283 O=C1C=C(NCc2ccccc2)CO1 Amb23562822 [0,0,0,0,0,1|2,0,1]=4 741 B15R2.283 O=C1CC(CCc2ccccc2)CN1 Amb26954493 [0,0,0,0,0,1|3,0,0]=4 742 B15R2.283 O=C1CC(NCc2ccccc2)CN1 Amb27824136 [0,0,0,0,0,1|3,0,0]=4 743 B15R2.283 O=C1CC(SCc2ccccc2)CN1 Amb28408803 [0,0,0,0,0,1|3,0,0]=4 744 B15R2.283 O=C1CCC(CCc2ccccc2)C1 Amb28124539 [0,0,0,0,0,1|3,0,0]=4 745 B15R2.283 O=C1CCC(CCc2ccccc2)N1 Amb27596663 [0,0,0,0,0,1|2,0,1]=4 746 B15R2.283 O=C1CCC(OCc2ccccc2)C1 Amb27465409 [0,0,0,0,0,1|3,0,0]=4 747 B15R2.283 O=C1CC[C@@H](COc2ccccc2)N1 Amb27960874 [0,0,0,0,0,1|2,0,1]=4 748 B15R2.283 O=C1NC(CCc2ccccc2)CO1 Amb25217512 [0,0,0,0,0,1|1,0,1]=3 749 B15R2.283 O=C1NC(\C=C\c2ccccc2)CO1 Amb33081796 [0,0,0,0,0,1|1,0,2]=4 750 B15R2.283 O=C1NCC(CCc2ccccc2)O1 Amb27662552 [0,0,0,0,0,1|3,0,0]=4 751 B15R2.283 O=C1NCC(CNc2ccccc2)O1 Amb25082861 [0,0,0,0,0,1|3,0,0]=4 752 B15R2.283 O=C1NCC(COc2ccccc2)O1 Amb25861694 [0,0,0,0,0,1|3,0,0]=4 753 B15R2.283 O=C1NCC(CSc2ccccc2)O1 Amb25756159 [0,0,0,0,0,1|3,0,0]=4 754 B15R2.283 O=C1N[C@@H](C#Cc2ccccc2)CO1 Amb27849997 [0,0,0,0,0,1|1,0,2]=4 755 B15R2.283 O=C1OCC(CNc2ccccc2)O1 Amb28137905 [0,0,0,0,0,1|2,0,0]=3 756 B15R2.283 O=S1OCC(COc2ccccc2)O1 Amb3483030 [0,0,0,0,0,1|3,0,0]=4 757 B15R2.283 S=C1NC(CCc2ccccc2)CO1 Amb28241411 [0,0,0,0,0,1|1,0,1]=3 758 B15R2.283 S=C1NCC(CCc2ccccc2)O1 Amb28046293 [0,0,0,0,0,1|3,0,0]=4 759 B15R2.283 Sc1nc(CCc2ccccc2)no1 Amb27419282 [0,0,0,0,0,1|2,0,1]=4 760 B15R2.283 Sc1nc(COc2ccccc2)no1 Amb27419283 [0,0,0,0,0,1|2,0,1]=4 761 B12R1.8 C=CCCCCc1ccccc1 Amb19930233 [1,0,1,0,0,0|2,0,0]=4 762 B12R1.8 CONCCCc1ccccc1 Amb32411014 [1,0,1,0,0,0|2,0,0]=4 763 B12R1.8 NCCCCCc1ccccc1 Amb18034503 [1,0,1,0,0,0|1,0,1]=4 764 B12R1.8 O=CCCCCc1ccccc1 Amb18798121 [1,0,1,0,0,0|2,0,0]=4 765 B12R1.32 C=CCC(N)Cc1ccccc1 Amb32663713 [1,0,1,0,0,0|1,0,1]=4 766 B12R1.32 C=CCC(N)Cc1ccccc1 Amb33538411 [1,0,1,0,0,0|1,0,1]=4 767 B12R1.32 C=CCC(O)Cc1ccccc1 Amb18177786 [1,0,1,0,0,0|2,0,0]=4 768 B12R1.32 CC(CCN)Cc1ccccc1 Amb17232439 [1,0,1,0,0,0|1,0,1]=4 769 B12R1.32 CC(CCO)Cc1ccccc1 Amb17232486 [1,0,1,0,0,0|1,0,1]=4 770 B12R1.32 CC(CON)Cc1ccccc1 Amb32953166 [1,0,1,0,0,0|1,0,0]=3 771 B12R1.32 CC(Cc1ccccc1)N=C=O Amb17103991 [1,0,1,0,0,0|0,0,2]=4 772 B12R1.32 CC(Cc1ccccc1)N=C=S Amb18790890 [1,0,1,0,0,0|0,1,1]=4 773 B12R1.32 CC(Cc1ccccc1)NC=O Amb8503525 [1,0,1,0,0,0|0,0,2]=4 774 B12R1.32 COCC(N)Cc1ccccc1 Amb20623561 [1,0,1,0,0,0|0,0,2]=4 775 B12R1.32 COC[C@@H](N)Cc1ccccc1 Amb3940159 [1,0,1,0,0,0|0,0,2]=4 776 B12R1.32 COC[C@@H](N)Cc1ccccc1 Amb4037107 [1,0,1,0,0,0|0,0,2]=4 777 B12R1.32 COC[C@H](N)Cc1ccccc1 Amb33871543 [1,0,1,0,0,0|0,0,2]=4 778 B12R1.32 C[C@H](Cc1ccccc1)NC=S Amb27209575 [1,0,1,0,0,0|0,1,1]=4 779 B12R1.32 C\C=C\C(O)Cc1ccccc1 Amb27641998 [1,0,1,0,0,0|2,0,0]=4 780 B12R1.32 NCCC(F)Cc1ccccc1 Amb32954290 [1,0,1,0,0,0|1,0,1]=4 781 B12R1.32 NCCC(N)Cc1ccccc1 Amb33039576 [1,0,1,0,0,0|0,0,2]=4 782 B12R1.32 NCCC(O)Cc1ccccc1 Amb17232552 [1,0,1,0,0,0|1,0,1]=4 783 B12R1.32 NCC[C@@H](O)Cc1ccccc1 Amb32953160 [1,0,1,0,0,0|1,0,1]=4 784 B12R1.32 NCC[C@H](O)Cc1ccccc1 Amb32953161 [1,0,1,0,0,0|1,0,1]=4 785 B12R1.32 [N-]=[N+]=NC(O)Cc1ccccc1 Amb28435130 [1,0,1,0,0,0|1,0,1]=4 786 B12R1.118 C=CC(CO)Nc1ccccc1 Amb27655109 [1,0,1,0,0,0|2,0,0]=4 787 B12R1.118 CCC(CN)Cc1ccccc1 Amb5743867 [1,0,1,0,0,0|1,0,1]=4 788 B12R1.118 CNC(CO)Cc1ccccc1 Amb33536475 [1,0,1,0,0,0|0,0,2]=4 789 B12R1.118 CN[C@@H](CO)Cc1ccccc1 Amb22745072 [1,0,1,0,0,0|0,0,2]=4 790 B12R1.118 CN[C@H](CO)Cc1ccccc1 Amb33761130 [1,0,1,0,0,0|0,0,2]=4 791 B12R1.118 COC(CO)Cc1ccccc1 Amb28963382 [1,0,1,0,0,0|1,0,1]=4 792 B12R1.118 C\C=C(\CO)Cc1ccccc1 Amb28242441 [1,0,1,0,0,0|1,0,1]=4 793 B12R1.118 N#CC(CO)Cc1ccccc1 Amb18110109 [1,0,1,0,0,0|0,0,2]=4 794 B12R1.118 NCC(CO)Cc1ccccc1 Amb5744189 [1,0,1,0,0,0|0,0,1]=3 795 B12R1.118 NCC(CO)Cc1ccccn1 Amb5744186 [1,0,1,0,0,0|1,0,1]=4 796 B12R1.118 NCC(CO)Cc1cccnc1 Amb28872356 [1,0,1,0,0,0|1,0,1]=4 797 B12R1.118 NCC(CO)Cc1cccnc1 Amb5744187 [1,0,1,0,0,0|1,0,1]=4 798 B12R1.118 NCC(CO)Cc1ccncc1 Amb33379053 [1,0,1,0,0,0|1,0,1]=4 799 B12R1.118 NCC(CO)Cc1ccncc1 Amb5744188 [1,0,1,0,0,0|1,0,1]=4 800 B12R1.118 OCC(CO)Cc1ccccc1 Amb4018930 [1,0,1,0,0,0|1,0,1]=4 801 B12R1.252 CC(=O)CCCc1ccccc1 Amb4358586 [1,0,1,0,0,0|2,0,0]=4 802 B12R1.252 CC(=O)NCCc1ccccc1 Amb2781514 [1,0,1,0,0,0|1,0,1]=4 803 B12R1.252 CC(=O)OCCc1ccccc1 Amb6357159 [1,0,1,0,0,0|2,0,0]=4 804 B12R1.252 CC(=S)NCCc1ccccc1 Amb27412033 [1,0,1,0,0,0|1,0,1]=4 805 B12R1.252 CC(C)=CCCc1ccccc1 Amb17843373 [1,0,1,0,0,0|2,0,0]=4 806 B12R1.252 CC(C)=NOCc1ccccc1 Amb27827763 [1,0,1,0,0,0|2,0,0]=4 807 B12R1.252 CC(N)CCCc1ccccc1 Amb2721865 [1,0,1,0,0,0|1,0,1]=4 808 B12R1.252 C[C@@H](N)CCCc1ccccc1 Amb33081452 [1,0,1,0,0,0|1,0,1]=4 809 B12R1.252 C[C@H](N)CCCc1ccccc1 Amb32954284 [1,0,1,0,0,0|1,0,1]=4 810 B12R1.252 C\C(N)=N\C=C\c1ccccc1 Amb28457490 [1,0,1,0,0,0|0,0,2]=4 811 B12R1.252 C\C(N)=N\N=C\c1ccccc1 Amb25362013 [1,0,1,0,0,0|1,0,1]=4 812 B12R1.252 C\C(N)=N\OCc1ccccc1 Amb27760408 [1,0,1,0,0,0|1,0,0]=3 813 B12R1.252 N=C(N)CCCc1ccccc1 Amb6276737 [1,0,1,0,0,0|2,0,0]=4 814 B12R1.252 N=C(N)NCCc1ccccc1 Amb22736089 [1,0,1,0,0,0|1,0,1]=4 815 B12R1.252 N=C(N)NCCc1ccccc1 Amb22736599 [1,0,1,0,0,0|1,0,1]=4 816 B12R1.252 N=C(N)NCCc1ccccc1 Amb28974714 [1,0,1,0,0,0|1,0,1]=4 817 B12R1.252 N=C(N)NCCc1ccccc1 Amb6761287 [1,0,1,0,0,0|1,0,1]=4 818 B12R1.252 N=C(N)NCCc1ccccc1 Amb838720 [1,0,1,0,0,0|1,0,1]=4 819 B12R1.252 N=C(N)SCCc1ccccc1 Amb20675983 [1,0,1,0,0,0|2,0,0]=4 820 B12R1.252 NC(=O)CCCc1ccccc1 Amb3886649 [1,0,1,0,0,0|1,0,1]=4 821 B12R1.252 NC(=O)NCCc1ccccc1 Amb1124980 [1,0,1,0,0,0|0,0,2]=4 822 B12R1.252 NC(=S)CCCc1ccccc1 Amb6244938 [1,0,1,0,0,0|1,1,0]=4 823 B12R1.252 NC(=S)NCCc1ccccc1 Amb1647056 [1,0,1,0,0,0|0,1,1]=4 824 B12R1.252 O=C(O)CCCc1ccccc1 Amb2388283 [1,0,1,0,0,0|2,0,0]=4 825 B14R1.423 NC(=O)OCC(N)Cc1ccccc1 Amb28653362 [0,1,1,0,0,0|0,0,1]=3 826 B14R1.478 CC(c1ccccc1)C(CO)N=[N+]=[N-] Amb33081875 [0,1,1,0,0,0|1,0,1]=4 827 B14R1.549 CC(=O)N[C@H](CO)Cc1ccccc1 Amb17102648 [0,1,1,0,0,0|1,0,1]=4 828 B14R1.148 CC(=O)OCCCc1cccc(N)c1 Amb28653244 [0,1,1,0,0,0|2,0,0]=4 829 B14R1.148 N=C(N)CCCOc1cccc(F)c1 Amb6272887 [0,1,1,0,0,0|2,0,0]=4 830 B14R1.159 N=C(N)NCCCc1ccccc1Br Amb18585755 [0,1,1,0,0,0|1,0,0]=3 831 B14R1.159 NC(N)=NCCCc1ccccc1Br Amb32655942 [0,1,1,0,0,0|1,0,1]=4 832 B14R1.420 CC(CCNC(N)=O)c1ccccc1 Amb19074031 [0,1,1,0,0,0|2,0,0]=4 833 B14R1.677 CC(=O)OCCCc1ccc(Br)cc1 Amb24046248 [0,1,1,0,0,0|2,0,0]=4 834 B14R1.677 Cc1ccc(CCCNC(=N)N)cc1 Amb18565018 [0,1,1,0,0,0|1,0,0]=3 835 B14R1.677 N=C(N)SCCOc1ccc(F)cc1 Amb20675989 [0,1,1,0,0,0|1,1,0]=4 836 B14R1.677 NC(=O)CCCCc1ccc(F)cc1 Amb28653432 [0,1,1,0,0,0|2,0,0]=4 837 B14R1.716 CNC(=O)OCCOc1ccccc1 Amb24081214 [0,1,1,0,0,0|2,0,0]=4 838 B14R1.716 NCC(=O)NCCCc1ccccc1 Amb5783138 [0,1,1,0,0,0|2,0,0]=4 839 B14R1.716 N\C(CCNCc1ccccc1)=N/O Amb24109264 [0,1,1,0,0,0|2,0,0]=4 840 B14R1.716 N\C(CCOCc1ccccc1)=N/O Amb6257061 [0,1,1,0,0,0|2,0,0]=4 841 B14R1.716 O=C(CCl)OCCCc1ccccc1 Amb3372153 [0,1,1,0,0,0|2,0,0]=4 842 B14R1.818 CC(=O)OC(C)CCc1ccccc1 Amb4034624 [0,1,1,0,0,0|2,0,0]=4 843 B14R1.818 CC(CCc1ccccc1)NC(=N)N Amb19073485 [0,1,1,0,0,0|1,0,0]=3 844 B14R1.818 N=C(N)CC(O)COc1ccccc1 Amb32420367 [0,1,1,0,0,0|2,0,0]=4 845 B14R1.337 CC(CC(=O)O)Cc1ccccc1Br Amb32989862 [0,1,1,0,0,0|2,0,0]=4 846 B14R1.337 CC(CC(=O)O)Cc1ccccc1Cl Amb17241244 [0,1,1,0,0,0|2,0,0]=4 847 B14R1.337 CC(CC(=O)O)Cc1ccccc1F Amb17236372 [0,1,1,0,0,0|2,0,0]=4 848 B14R1.337 Cc1ccccc1CC(C)CC(=O)O Amb17235384 [0,1,1,0,0,0|2,0,0]=4 849 B14R1.698 CC(CC(=O)O)Cc1ccc(Br)cc1 Amb17265523 [0,1,1,0,0,0|2,0,0]=4 850 B14R1.698 CC(CC(=O)O)Cc1ccc(Cl)cc1 Amb4399433 [0,1,1,0,0,0|2,0,0]=4 851 B14R1.698 CC(CC(=O)O)Cc1ccc(F)cc1 Amb17236375 [0,1,1,0,0,0|2,0,0]=4 852 B14R1.698 CC(CC(=O)O)Cc1ccc(O)cc1 Amb17336807 [0,1,1,0,0,0|2,0,0]=4 853 B14R1.698 CC(Cc1ccc(Cl)cc1)NC(N)=O Amb22461493 [0,1,1,0,0,0|0,0,2]=4 854 B14R1.698 Cc1ccc(CC(C)CC(=O)O)cc1 Amb4007562 [0,1,1,0,0,0|2,0,0]=4 855 B14R1.1485 CC(C)(CC(=O)O)Cc1ccccc1 Amb17336451 [0,1,1,0,0,0|2,0,0]=4 856 B14R1.1485 CC(C)(Cc1ccccc1)NC(=N)N Amb27601505 [0,1,1,0,0,0|1,0,1]=4 857 B14R1.1485 CC(C)(Cc1ccccc1)OC(N)=O Amb24084628 [0,1,1,0,0,0|1,0,1]=4 858 B14R1.5978 CC(CC(=O)O)Cc1cccc(Br)c1 Amb17265519 [0,1,1,0,0,0|2,0,0]=4 859 B14R1.5978 CC(CC(=O)O)Cc1cccc(Cl)c1 Amb17241247 [0,1,1,0,0,0|2,0,0]=4 860 B14R1.5978 CC(CC(=O)O)Cc1cccc(F)c1 Amb19149363 [0,1,1,0,0,0|2,0,0]=4 861 B14R1.5978 CC(CC(=O)O)Cc1cccc(O)c1 Amb17336809 [0,1,1,0,0,0|2,0,0]=4 862 B14R1.5978 CC(Cc1cccc(Cl)c1)NC(N)=O Amb24753672 [0,1,1,0,0,0|0,0,2]=4 863 B14R1.5978 Cc1cccc(CC(C)CC(=O)O)c1 Amb615779 [0,1,1,0,0,0|2,0,0]=4 864 B14R1.13 COC(=O)CCCc1ccc(Br)cc1 Amb18629275 [0,1,1,0,0,0|2,0,0]=4 865 B14R1.13 COC(=O)CCCc1ccc(C)cc1 Amb18110189 [0,1,1,0,0,0|2,0,0]=4 866 B14R1.13 COC(=O)CCCc1ccc(Cl)cc1 Amb18629276 [0,1,1,0,0,0|2,0,0]=4 867 B14R1.13 COC(=O)CCCc1ccc(F)cc1 Amb18110191 [0,1,1,0,0,0|2,0,0]=4 868 B14R1.13 COC(=O)CCCc1ccc(N)cc1 Amb22728278 [0,1,1,0,0,0|2,0,0]=4 869 B14R1.13 COC(=O)CCCc1ccc(N)cc1 Amb8391153 [0,1,1,0,0,0|2,0,0]=4 870 B14R1.13 COC(=O)NCCc1ccc(C)cc1 Amb28482985 [0,1,1,0,0,0|1,0,1]=4 871 B14R1.13 COC(=O)NCCc1ccc(N)cc1 Amb8390016 [0,1,1,0,0,0|1,0,1]=4 872 B14R1.163 COC(=O)CCC(N)c1ccccc1 Amb10610596 [0,1,1,0,0,0|2,0,0]=4 873 B14R1.163 COC(=O)CCC(N)c1ccccc1 Amb19373309 [0,1,1,0,0,0|2,0,0]=4 874 B14R1.520 CCOC(=O)CCCc1ccccc1 Amb3939013 [0,1,1,0,0,0|2,0,0]=4 875 B14R1.520 CCOC(=O)NCCc1ccccc1 Amb6358963 [0,1,1,0,0,0|1,0,1]=4 876 B14R1.520 COCC(=O)CCCc1ccccc1 Amb19073932 [0,1,1,0,0,0|2,0,0]=4 877 B14R1.520 COCC(N)CCCc1ccccc1 Amb19062066 [0,1,1,0,0,0|1,0,1]=4 878 B14R1.546 C\N=C(\NC)NCCc1ccccc1 Amb24710194 [0,1,1,0,0,0|1,0,1]=4 879 B14R1.756 COC(=O)C(C)CCc1ccccc1 Amb17844109 [0,1,1,0,0,0|2,0,0]=4 880 B14R1.756 COC(=O)C(N)CCc1ccccc1 Amb19042065 [0,1,1,0,0,0|2,0,0]=4 881 B14R1.756 COC(=O)C(N)CCc1ccccc1 Amb23439021 [0,1,1,0,0,0|2,0,0]=4 882 B14R1.756 COC(=O)[C@@H](N)CCc1ccccc1 Amb33738062 [0,1,1,0,0,0|2,0,0]=4 883 B14R1.756 COC(=O)[C@H](N)CCc1ccccc1 Amb33737035 [0,1,1,0,0,0|2,0,0]=4 884 B14R1.837 COC(=O)CCCc1ccccc1N Amb17595065 [0,1,1,0,0,0|2,0,0]=4 885 B14R1.837 COC(=O)CCCc1ccccc1O Amb30982170 [0,1,1,0,0,0|2,0,0]=4 886 B14R1.837 COC(=O)NCCc1ccccc1N Amb17777450 [0,1,1,0,0,0|1,0,1]=4 887 B14R1.1025 COC(=O)CCCc1cccc(N)c1 Amb33726854 [0,1,1,0,0,0|2,0,0]=4 888 B14R2.30 BrC1COCC1Cc2ccccc2 Amb29877885 [1,1,0,0,0,0|1,0,1]=4 889 B14R2.30 ClC1COCC1Cc2ccccc2 Amb29877819 [1,1,0,0,0,0|1,0,1]=4 890 B14R2.30 NC1COCC1Cc2ccccc2 Amb29866236 [1,1,0,0,0,0|1,0,1]=4 891 B14R2.30 Nc1ocnc1Cc2ccccc2 Amb22296988 [1,1,0,0,0,0|0,0,2]=4 892 B14R2.30 O=C1COCC1Cc2ccccc2 Amb27599380 [1,1,0,0,0,0|1,0,1]=4 893 B14R2.30 OC1CC=CC1Cc2ccccc2 Amb27972501 [1,1,0,0,0,0|2,0,0]=4 894 B14R2.30 OC1COCC1Cc2ccccc2 Amb28061951 [1,1,0,0,0,0|1,0,1]=4 895 B14R2.30 OC1OCCC1Cc2ccccc2 Amb22752559 [1,1,0,0,0,0|1,0,1]=4 896 B14R2.30 O[C@@H]1COC[C@H]1Cc2ccccc2 Amb26435152 [1,1,0,0,0,0|1,0,1]=4 897 B14R2.30 O[C@H]1COC[C@@H]1Cc2ccccc2 Amb27431379 [1,1,0,0,0,0|1,0,1]=4 898 B14R2.50 Cc1ccccc1CC2CC=CC2 Amb29888520 [1,1,0,0,0,0|2,0,0]=4 899 B14R2.50 Clc1ccccc1CC2CC=CC2 Amb35594352 [1,1,0,0,0,0|2,0,0]=4 900 B14R2.50 Fc1ccccc1CC2CC=CC2 Amb29888615 [1,1,0,0,0,0|2,0,0]=4 901 B14R2.72 Brc1ccc(CC2CC=CC2)cc1 Amb29880720 [1,1,0,0,0,0|2,0,0]=4 902 B14R2.72 Cc1ccc(CC2CC=CC2)cc1 Amb29888519 [1,1,0,0,0,0|2,0,0]=4 903 B14R2.72 Clc1ccc(CC2CC=CC2)cc1 Amb35594350 [1,1,0,0,0,0|2,0,0]=4 904 B14R2.72 Fc1ccc(CC2CC=CC2)cc1 Amb29888614 [1,1,0,0,0,0|2,0,0]=4 905 B14R2.72 Oc1ccc(CC2COC=N2)cc1 Amb28202110 [1,1,0,0,0,0|0,0,0]=2 906 B14R2.114 NC(c1ccccc1)C2CCOC2 Amb18952434 [1,1,0,0,0,0|1,0,1]=4 907 B14R2.114 NC(c1ccccc1)C2CCOC2 Amb33291311 [1,1,0,0,0,0|1,0,1]=4 908 B14R2.114 NC(c1ccccc1)c2cocn2 Amb18825246 [1,1,0,0,0,0|0,0,2]=4 909 B14R2.114 NC(c1ccccc1)c2ncon2 Amb9421832 [1,1,0,0,0,0|1,0,1]=4 910 B14R2.114 OC(c1ccccc1)C2C=CCC2 Amb27218878 [1,1,0,0,0,0|2,0,0]=4 911 B14R2.114 OC(c1ccccc1)C2CCOC2 Amb18790941 [1,1,0,0,0,0|1,0,1]=4 912 B14R2.114 OC(c1ccccc1)C2COCO2 Amb28185143 [1,1,0,0,0,0|1,0,1]=4 913 B14R2.411 NC1(Cc2ccccc2)CC=CC1 Amb35725898 [1,1,0,0,0,0|2,0,0]=4 914 B14R2.411 OC1(Cc2ccccc2)CCOC1 Amb28427971 [1,1,0,0,0,0|1,0,1]=4 915 B14R2.716 Brc1cccc(CC2CC=CC2)c1 Amb29880726 [1,1,0,0,0,0|2,0,0]=4 916 B14R2.716 Cc1cccc(CC2CC=CC2)c1 Amb29888518 [1,1,0,0,0,0|2,0,0]=4 917 B14R2.716 Clc1cccc(CC2CC=CC2)c1 Amb35594351 [1,1,0,0,0,0|2,0,0]=4 918 B14R2.716 Fc1cccc(CC2CC=CC2)c1 Amb29888616 [1,1,0,0,0,0|2,0,0]=4 919 B14R2.8 CNC1=NC(c2ccccc2)CS1 Amb28321658 [0,1,0,0,1,0|0,1,0]=3 920 B14R2.8 CNc1nc(-c2ccccc2)co1 Amb22301262 [0,1,0,0,1,0|0,0,2]=4 921 B14R2.8 CNc1nc(-c2ccccc2)no1 Amb13952748 [0,1,0,0,1,0|1,0,1]=4 922 B14R2.8 COC1=NC(c2ccccc2)CN1 Amb27827838 [0,1,0,0,1,0|2,0,0]=4 923 B14R2.8 CSC1=NC(c2ccccc2)CN1 Amb27851456 [0,1,0,0,1,0|2,0,0]=4 924 B14R2.8 ClCC1=NC(c2ccccc2)CO1 Amb27758751 [0,1,0,0,1,0|1,0,0]=3 925 B14R2.8 ClCC1=N[C@H](c2ccccc2)CO1 Amb27983713 [0,1,0,0,1,0|1,0,0]=3 926 B14R2.8 NCC1CC(c2ccccc2)CO1 Amb32665180 [0,1,0,0,1,0|1,0,1]=4 927 B14R2.8 NC[C@@H]1C[C@@H](c2ccccc2)CO1 Amb32665182 [0,1,0,0,1,0|1,0,1]=4 928 B14R2.8 NC[C@@H]1C[C@H](c2ccccc2)CO1 Amb32665181 [0,1,0,0,1,0|1,0,1]=4 929 B14R2.8 NCc1nc(-c2ccccc2)co1 Amb18065511 [0,1,0,0,1,0|0,0,2]=4 930 B14R2.8 NCc1nc(-c2ccccc2)no1 Amb15740869 [0,1,0,0,1,0|1,0,1]=4 931 B14R2.8 NCc1nc(-c2ccccc2)no1 Amb6315677 [0,1,0,0,1,0|1,0,1]=4 932 B14R2.8 NNc1nc(-c2ccccc2)co1 Amb18127435 [0,1,0,0,1,0|0,0,2]=4 933 B14R2.8 NNc1nc(-c2ccccc2)no1 Amb1945435 [0,1,0,0,1,0|1,0,1]=4 934 B14R2.20 Cc1ccc(-c2coc(N)n2)cc1 Amb17400434 [0,1,0,0,1,0|0,0,2]=4 935 B14R2.20 Cc1ccc(-c2noc(N)n2)cc1 Amb17233067 [0,1,0,0,1,0|1,0,1]=4 936 B14R2.20 Cc1ccc(C2CN=C(N)N2)cc1 Amb27817260 [0,1,0,0,1,0|1,0,1]=4 937 B14R2.20 Cc1ccc(C2COC(=O)C2)cc1 Amb33353522 [0,1,0,0,1,0|2,0,0]=4 938 B14R2.20 Cc1ccc(C2COC(=O)N2)cc1 Amb25082390 [0,1,0,0,1,0|1,0,1]=4 939 B14R2.20 Cc1ccc(C2COC(N)=N2)cn1 Amb27451455 [0,1,0,0,1,0|1,0,0]=3 940 B14R2.20 Cc1ccc([C@H]2COC(=O)N2)cc1 Amb28205134 [0,1,0,0,1,0|1,0,1]=4 941 B14R2.20 NC1=NC(c2ccc(F)cc2)CO1 Amb27415658 [0,1,0,0,1,0|0,0,0]=2 942 B14R2.20 NC1=NC(c2ccc(O)cc2)CO1 Amb27181018 [0,1,0,0,1,0|0,0,0]=2 943 B14R2.20 NC1=NCC(c2ccc(Br)cc2)O1 Amb19894994 [0,1,0,0,1,0|2,0,0]=4 944 B14R2.20 NC1=NCC(c2ccc(I)cc2)N1 Amb28187171 [0,1,0,0,1,0|1,0,1]=4 945 B14R2.20 NC1=NN(c2ccc(Cl)cc2)CC1 Amb4451089 [0,1,0,0,1,0|2,0,0]=4 946 B14R2.20 NC1=NN(c2ccc(F)cc2)CC1 Amb24330512 [0,1,0,0,1,0|2,0,0]=4 947 B14R2.20 Nc1nc(-c2ccc(Br)cc2)co1 Amb17409981 [0,1,0,0,1,0|0,0,2]=4 948 B14R2.20 Nc1nc(-c2ccc(Br)cc2)no1 Amb17255061 [0,1,0,0,1,0|1,0,1]=4 949 B14R2.20 Nc1nc(-c2ccc(Cl)cc2)co1 Amb17401988 [0,1,0,0,1,0|0,0,2]=4 950 B14R2.20 Nc1nc(-c2ccc(Cl)cc2)no1 Amb5846618 [0,1,0,0,1,0|1,0,1]=4 951 B14R2.20 Nc1nc(-c2ccc(F)cc2)co1 Amb17400645 [0,1,0,0,1,0|0,0,2]=4 952 B14R2.20 Nc1nc(-c2ccc(F)cc2)no1 Amb13777433 [0,1,0,0,1,0|1,0,1]=4 953 B14R2.20 O=C1CC(c2ccc(Br)cc2)CO1 Amb33353520 [0,1,0,0,1,0|2,0,0]=4 954 B14R2.20 O=C1CC(c2ccc(Cl)cc2)CO1 Amb24097675 [0,1,0,0,1,0|2,0,0]=4 955 B14R2.20 O=C1CC(c2ccc(F)cc2)CO1 Amb32419031 [0,1,0,0,1,0|2,0,0]=4 956 B14R2.20 O=C1NC(c2ccc(Br)cc2)CO1 Amb33532359 [0,1,0,0,1,0|1,0,1]=4 957 B14R2.20 O=C1NC(c2ccc(Cl)cc2)CO1 Amb27585382 [0,1,0,0,1,0|1,0,1]=4 958 B14R2.20 O=C1NC(c2ccc(F)cc2)CO1 Amb26854637 [0,1,0,0,1,0|1,0,1]=4 959 B14R2.20 O=C1NC(c2ccc(O)cc2)CO1 Amb24709902 [0,1,0,0,1,0|1,0,1]=4 960 B14R2.20 O=C1N[C@H](c2ccc(Br)cc2)CO1 Amb27600878 [0,1,0,0,1,0|1,0,1]=4 961 B14R2.20 O=C1N[C@H](c2ccc(Cl)cc2)CO1 Amb28397440 [0,1,0,0,1,0|1,0,1]=4 962 B14R2.22 Cc1cccc(-c2noc(N)n2)c1 Amb17233066 [0,1,0,0,1,0|1,0,1]=4 963 B14R2.22 Cc1cccc(C2CN=C(N)N2)c1 Amb27787564 [0,1,0,0,1,0|1,0,1]=4 964 B14R2.22 Cc1cccc(C2COC(=O)C2)c1 Amb33353528 [0,1,0,0,1,0|2,0,0]=4 965 B14R2.22 Cc1cccc(C2COC(=O)N2)c1 Amb26025408 [0,1,0,0,1,0|1,0,1]=4 966 B14R2.22 Cc1cccc([C@@H]2COC(=O)N2)c1 Amb27494700 [0,1,0,0,1,0|1,0,1]=4 967 B14R2.22 NC1=NC(c2cccc(F)c2)CO1 Amb28341994 [0,1,0,0,1,0|0,0,0]=2 968 B14R2.22 NC1=NCC(c2cccc(Cl)c2)O1 Amb27180137 [0,1,0,0,1,0|2,0,0]=4 969 B14R2.22 NC1=NCC(c2cccc(F)c2)O1 Amb27483912 [0,1,0,0,1,0|2,0,0]=4 970 B14R2.22 NC1=NN(c2cccc(Cl)c2)CC1 Amb24105111 [0,1,0,0,1,0|2,0,0]=4 971 B14R2.22 Nc1nc(-c2cccc(Br)c2)co1 Amb18946533 [0,1,0,0,1,0|0,0,2]=4 972 B14R2.22 Nc1nc(-c2cccc(Br)c2)no1 Amb17255060 [0,1,0,0,1,0|1,0,1]=4 973 B14R2.22 Nc1nc(-c2cccc(Cl)c2)co1 Amb18279630 [0,1,0,0,1,0|0,0,2]=4 974 B14R2.22 Nc1nc(-c2cccc(Cl)c2)no1 Amb33530582 [0,1,0,0,1,0|1,0,1]=4 975 B14R2.22 Nc1nc(-c2cccc(F)c2)co1 Amb18946534 [0,1,0,0,1,0|0,0,2]=4 976 B14R2.22 Nc1nc(-c2cccc(F)c2)no1 Amb33530573 [0,1,0,0,1,0|1,0,1]=4 977 B14R2.22 O=C1CC(c2cccc(Br)c2)CO1 Amb33353521 [0,1,0,0,1,0|2,0,0]=4 978 B14R2.22 O=C1CC(c2cccc(Cl)c2)CO1 Amb33353527 [0,1,0,0,1,0|2,0,0]=4 979 B14R2.22 O=C1CC(c2cccc(F)c2)CO1 Amb33353524 [0,1,0,0,1,0|2,0,0]=4 980 B14R2.22 O=C1NC(c2cccc(Br)c2)CO1 Amb27390854 [0,1,0,0,1,0|1,0,1]=4 981 B14R2.22 O=C1NC(c2cccc(Cl)c2)CO1 Amb26859137 [0,1,0,0,1,0|1,0,1]=4 982 B14R2.22 O=C1NC(c2cccc(F)c2)CO1 Amb25316630 [0,1,0,0,1,0|1,0,1]=4 983 B14R2.22 O=C1N[C@@H](c2cccc(Cl)c2)CO1 Amb28077006 [0,1,0,0,1,0|1,0,1]=4 984 B14R2.22 O=C1N[C@@H](c2cccc(I)c2)CO1 Amb27864565 [0,1,0,0,1,0|1,0,1]=4 985 B14R2.22 O=C1N[C@H](c2cccc(I)c2)CO1 Amb27646977 [0,1,0,0,1,0|1,0,1]=4 986 B14R2.256 Cc1ccccc1-c2coc(N)n2 Amb18279615 [0,1,0,0,1,0|0,0,2]=4 987 B14R2.256 Cc1ccccc1-c2noc(N)n2 Amb17233065 [0,1,0,0,1,0|1,0,1]=4 988 B14R2.256 Cc1ccccc1C2CN=C(N)N2 Amb28381634 [0,1,0,0,1,0|1,0,1]=4 989 B14R2.256 Cc1ccccc1C2COC(=O)C2 Amb33495540 [0,1,0,0,1,0|2,0,0]=4 990 B14R2.256 Cc1ccccc1C2COC(=O)N2 Amb28140244 [0,1,0,0,1,0|1,0,1]=4 991 B14R2.256 Cc1ccccc1C2COC(N)=N2 Amb28248574 [0,1,0,0,1,0|0,0,0]=2 992 B14R2.256 Cc1ccccc1[C@@H]2COC(N)=N2 Amb28292813 [0,1,0,0,1,0|0,0,0]=2 993 B14R2.256 Cc1ccccc1[C@H]2COC(N)=N2 Amb27234824 [0,1,0,0,1,0|0,0,0]=2 994 B14R2.256 Cc1ccncc1C2COC(N)=N2 Amb27967778 [0,1,0,0,1,0|1,0,0]=3 995 B14R2.256 NC1=NC(c2ccccc2F)CO1 Amb28248428 [0,1,0,0,1,0|0,0,0]=2 996 B14R2.256 NC1=NN(c2ccccc2Cl)CC1 Amb27179075 [0,1,0,0,1,0|2,0,0]=4 997 B14R2.256 Nc1nc(-c2ccccc2Cl)co1 Amb18279627 [0,1,0,0,1,0|0,0,2]=4 998 B14R2.256 Nc1nc(-c2ccccc2Cl)no1 Amb17236307 [0,1,0,0,1,0|1,0,1]=4 999 B14R2.256 Nc1nc(-c2ccccc2F)co1 Amb18279617 [0,1,0,0,1,0|0,0,2]=4 1000 B14R2.256 Nc1nc(-c2ccccc2F)no1 Amb17233510 [0,1,0,0,1,0|1,0,1]=4 1001 B14R2.256 Nc1nc(-c2ccccc2O)co1 Amb18127596 [0,1,0,0,1,0|0,0,2]=4 1002 B14R2.256 O=C1CC(c2ccccc2Br)CO1 Amb33495543 [0,1,0,0,1,0|2,0,0]=4 1003 B14R2.256 O=C1CC(c2ccccc2Cl)CO1 Amb33495542 [0,1,0,0,1,0|2,0,0]=4 1004 B14R2.256 O=C1CC(c2ccccc2F)CO1 Amb33495541 [0,1,0,0,1,0|2,0,0]=4 1005 B14R2.256 O=C1CC(c2ccccc2O)CO1 Amb28054441 [0,1,0,0,1,0|2,0,0]=4 1006 B14R2.256 O=C1NC(c2ccccc2Br)CO1 Amb25061795 [0,1,0,0,1,0|1,0,1]=4 1007 B14R2.256 O=C1NC(c2ccccc2Cl)CO1 Amb24714277 [0,1,0,0,1,0|1,0,1]=4 1008 B14R2.256 O=C1NC(c2ccccc2F)CO1 Amb24642133 [0,1,0,0,1,0|1,0,1]=4 1009 B14R2.256 O=C1NC(c2ccccc2I)CO1 Amb27762387 [0,1,0,0,1,0|1,0,1]=4 1010 B14R2.256 O=C1NC(c2ccccc2O)CO1 Amb27970497 [0,1,0,0,1,0|1,0,1]=4 1011 B14R2.256 O=C1N[C@@H](c2ccccc2Cl)CO1 Amb27405997 [0,1,0,0,1,0|1,0,1]=4 1012 B14R2.256 O=C1N[C@H](c2ccccc2I)CO1 Amb28386512 [0,1,0,0,1,0|1,0,1]=4 1013 B14R2.256 O=C1N[C@H](c2ccccc2O)CO1 Amb27273373 [0,1,0,0,1,0|1,0,1]=4 1014 B14R2.256 SC1=NC(c2ccccc2Cl)CN1 Amb27169380 [0,1,0,0,1,0|2,0,0]=4 1015 B14R2.260 CN1CC(c2ccccc2)N=C1N Amb27462251 [0,1,0,0,1,0|1,0,0]=3 1016 B14R2.260 NC1=NN(c2ccccc2)CC1=O Amb22330405 [0,1,0,0,1,0|2,0,0]=4 1017 B14R2.598 CC1N=C(N)OC1c2ccccc2 Amb22055741 [0,1,0,0,1,0|2,0,0]=4 1018 B14R2.598 CC1OC(=O)NC1c2ccccc2 Amb25759483 [0,1,0,0,1,0|1,0,1]=4 1019 B14R2.598 C[C@@H]1N=C(N)C[C@@H]1c2ccccc2 Amb27444707 [0,1,0,0,1,0|2,0,0]=4 1020 B14R2.598 C[C@@H]1OC(N)=N[C@H]1c2ccccc2 Amb27253548 [0,1,0,0,1,0|0,0,0]=2 1021 B14R2.598 C[C@H]1N=C(N)C[C@@H]1c2ccccc2 Amb27881801 [0,1,0,0,1,0|2,0,0]=4 1022 B14R2.598 C[C@H]1N=C(N)O[C@@H]1c2ccccc2 Amb27666984 [0,1,0,0,1,0|2,0,0]=4 1023 B14R2.598 C[C@H]1OC(=O)N[C@H]1c2ccccc2 Amb4090301 [0,1,0,0,1,0|1,0,1]=4 1024 B14R2.598 C[C@H]1OC(N)=N[C@H]1c2ccccc2 Amb27629767 [0,1,0,0,1,0|0,0,0]=2 1025 B14R2.598 Nc1nc(-c2ccccc2)c(Cl)o1 Amb18130142 [0,1,0,0,1,0|0,0,2]=4 1026 B14R2.2950 CC1(c2ccccc2)COC(=S)N1 Amb27488177 [0,1,0,0,1,0|1,0,1]=4 1027 B14R2.2950 CC1(c2ccccc2)COC(N)=N1 Amb28138820 [0,1,0,0,1,0|0,0,0]=2 1028 B14R2.2950 CC1(c2ccccn2)COC(N)=N1 Amb27754829 [0,1,0,0,1,0|1,0,0]=3 1029 B14R2.2950 CC1(c2ccncc2)COC(N)=N1 Amb28341993 [0,1,0,0,1,0|1,0,0]=3 1030 B14R2.2950 CC1(c2ccncn2)COC(N)=N1 Amb28146099 [0,1,0,0,1,0|2,0,0]=4 1031 B14R2.2950 C[C@@]1(c2ccccc2)COC(=O)N1 Amb27390178 [0,1,0,0,1,0|1,0,1]=4 1032 B14R2.2950 C[C@]1(c2ccccc2)COC(N)=N1 Amb28118479 [0,1,0,0,1,0|0,0,0]=2 1033 B14R2.2950 C[N+]1(c2ccccc2)CCC(N)=N1 Amb4004670 [0,1,0,0,1,0|2,0,0]=4 1034 B14R2.2950 O=C1CC(O)(c2ccccc2)CO1 Amb2613714 [0,1,0,0,1,0|2,0,0]=4 1035 B14R2.4514 CN1C(=O)OC[C@H]1c2ccccc2 Amb28463841 [0,1,0,0,1,0|1,0,1]=4 1036 B14R2.4514 O=C1OCC(c2ccccc2)C1O Amb27653185 [0,1,0,0,1,0|2,0,0]=4 1037 B14R2.78 NCC1CCC1Cc2ccccc2 Amb27609004 [0,1,0,0,1,0|1,0,1]=4 1038 B14R2.270 NC1CCC1Cc2cccc(Br)c2 Amb28250640 [0,1,0,0,1,0|1,0,1]=4 1039 B14R2.335 C=C1CCC1C(O)c2ccccc2 Amb27790399 [0,1,0,0,1,0|2,0,0]=4 1040 B14R2.335 O=C1NCC1C(O)c2ccccc2 Amb28128474 [0,1,0,0,1,0|2,0,0]=4 1041 B14R2.335 O=C1NC[C@H]1[C@H](O)c2ccccc2 Amb27789997 [0,1,0,0,1,0|2,0,0]=4 1042 B14R2.727 N[C@@]1(Cc2ccccc2)CNC1=O Amb27643425 [0,1,0,0,1,0|2,0,0]=4 1043 B14R2.737 CC1NC(=O)C1Cc2ccccc2 Amb24493901 [0,1,0,0,1,0|2,0,0]=4 1044 B14R2.737 C[C@H]1NC(=O)[C@@H]1Cc2ccccc2 Amb27484839 [0,1,0,0,1,0|2,0,0]=4 1045 B14R2.946 NC1CCC1Cc2ccc(Cl)cc2 Amb27167913 [0,1,0,0,1,0|1,0,1]=4 1046 B14R2.90 NCC1CC(Cc2ccccc2)C1 Amb25045598 [0,1,0,0,1,0|1,0,1]=4 1047 B14R2.422 NC1CC(C(O)c2ccccc2)C1 Amb35625198 [0,1,0,0,1,0|1,0,1]=4 1048 B14R2.422 O=C1CC(C(O)c2ccccc2)N1 Amb28367722 [0,1,0,0,1,0|1,0,1]=4 1049 B14R2.431 NC1CC(O)(Cc2ccccc2)C1 Amb27390444 [0,1,0,0,1,0|1,0,1]=4 1050 B14R2.663 O=C1CC(Cc2ccccc2O)C1 Amb27164669 [0,1,0,0,1,0|2,0,0]=4 1051 B14R2.947 Cc1ccc(CC2CC(N)C2)cc1 Amb27478188 [0,1,0,0,1,0|1,0,1]=4 1052 B14R2.947 O=C1CC(Cc2ccc(F)cc2)N1 Amb25880825 [0,1,0,0,1,0|1,0,1]=4 1053 B14R2.9057 Cc1cccc(CC2CC(N)C2)c1 Amb27223566 [0,1,0,0,1,0|1,0,1]=4 1054 B14R2.9057 NC1CC(Cc2cccc(F)c2)C1 Amb27415258 [0,1,0,0,1,0|1,0,1]=4 1055 B14R2.13587 CC1(Cc2cccs2)COC(N)=N1 Amb29859816 [0,1,0,0,1,0|1,0,0]=3 1056 B14R2.13587 CC1(Cc2ccsc2)COC(N)=N1 Amb29859817 [0,1,0,0,1,0|1,0,0]=3 1057 B16R2.2822 O=C1CC(Cc2ccccc2)CC(=O)O1 Amb32953142 [0,1,0,0,0,1|2,0,0]=4 1058 B16R2.137 O=C1NC(CCc2ccc(Br)cc2)CO1 Amb33334086 [0,1,0,0,0,1|1,0,1]=4 1059 B16R2.137 O=C1NC(CCc2ccc(F)cc2)CO1 Amb33319343 [0,1,0,0,0,1|1,0,1]=4 1060 B16R2.258 O=C1NC(CCc2cccc(Br)c2)CO1 Amb33433767 [0,1,0,0,0,1|1,0,1]=4 1061 B16R2.2334 NCc1nc(CCc2ccccc2)no1 Amb19015873 [0,1,0,0,0,1|1,0,1]=4 1062 B16R2.2334 NCc1nc(COc2ccccc2)no1 Amb10789058 [0,1,0,0,0,1|1,0,1]=4 1063 B16R2.2334 NCc1nc(COc2ccccc2)no1 Amb15740915 [0,1,0,0,0,1|1,0,1]=4 1064 B16R2.5952 CC1C(=O)OC[C@@H]1NCc2ccccc2 Amb27254279 [0,1,0,0,0,1|2,0,0]=4 1065 B16R2.20 Cc1ccc(Cc2noc(CN)n2)cc1 Amb18988467 [0,2,0,0,0,0|1,0,1]=4 1066 B16R2.20 NCc1nc(Cc2ccc(Br)cc2)no1 Amb8842641 [0,2,0,0,0,0|1,0,1]=4 1067 B16R2.20 NCc1nc(Cc2ccc(Cl)cc2)no1 Amb15741004 [0,2,0,0,0,0|1,0,1]=4 1068 B16R2.20 NCc1nc(Cc2ccc(Cl)cc2)no1 Amb6636808 [0,2,0,0,0,0|1,0,1]=4 1069 B16R2.20 NCc1nc(Cc2ccc(F)cc2)no1 Amb8842690 [0,2,0,0,0,0|1,0,1]=4 1070 B16R2.84 CC(N)c1nc(Cc2ccccc2)no1 Amb20622584 [0,2,0,0,0,0|1,0,1]=4 1071 B16R2.84 CC(N)c1nc(Cc2ccccc2)no1 Amb6655985 [0,2,0,0,0,0|1,0,1]=4 1072 B16R2.92 NCCc1nc(Cc2ccccc2)no1 Amb21955850 [0,2,0,0,0,0|1,0,1]=4 1073 B16R2.92 NCCc1nc(Cc2ccccc2)no1 Amb6657205 [0,2,0,0,0,0|1,0,1]=4 1074 B16R2.2333 Cc1cccc(Cc2noc(CN)n2)c1 Amb18981403 [0,2,0,0,0,0|1,0,1]=4 1075 B16R2.2333 NCc1nc(Cc2cccc(Cl)c2)no1 Amb8842666 [0,2,0,0,0,0|1,0,1]=4 1076 B16R2.2333 NCc1nc(Cc2cccc(F)c2)no1 Amb18973467 [0,2,0,0,0,0|1,0,1]=4 1077 B16R2.2353 CC(c1ccccc1)c2noc(CN)n2 Amb32454376 [0,2,0,0,0,0|1,0,1]=4 1078 B16R2.2353 NCc1nc(C(N)c2ccccc2)no1 Amb24116688 [0,2,0,0,0,0|1,0,1]=4 1079 B16R2.2363 Cc1ccccc1Cc2noc(CN)n2 Amb18981399 [0,2,0,0,0,0|1,0,1]=4 1080 B16R2.2363 NCc1nc(Cc2ccccc2Br)no1 Amb33999339 [0,2,0,0,0,0|1,0,1]=4 1081 B16R2.2363 NCc1nc(Cc2ccccc2Cl)no1 Amb18982235 [0,2,0,0,0,0|1,0,1]=4 1082 B16R2.2363 NCc1nc(Cc2ccccc2F)no1 Amb18979003 [0,2,0,0,0,0|1,0,1]=4 1083 B16R2.2363 NCc1nc(Cc2ccccc2F)no1 Amb33533973 [0,2,0,0,0,0|1,0,1]=4 1084 B16R2.2400 Cc1oc(CN)nc1Cc2ccccc2 Amb17087646 [0,2,0,0,0,0|0,0,2]=4 1085 B16R2.40 NCc1ccc(C[C@@H]2COC(=O)N2)cc1 Amb8631692 [0,2,0,0,0,0|1,0,1]=4 1086 B16R2.40 NNc1ccc(CC2COC(=O)N2)cc1 Amb16231667 [0,2,0,0,0,0|1,0,1]=4 1087 B16R2.121 CC(c1ccc(F)cc1)C2COC(=O)N2 Amb33424083 [0,2,0,0,0,0|1,0,1]=4 1088 B16R2.33083 CN1C(=O)OCC1Cc2ccc(N)cc2 Amb18559561 [0,2,0,0,0,0|1,0,1]=4 1089 B16R2.2834 CC(C)(c1ccccc1)C2COC(=O)N2 Amb33176142 [0,2,0,0,0,0|1,0,1]=4 1090 B16R2.2834 O=C1NC(C(F)(F)c2ccccc2)CO1 Amb32951807 [0,2,0,0,0,0|1,0,1]=4 1091 B14R2.6 c1ccc(CC2CNCOC2)cc1 Amb27772115 [0,0,1,1,0,0|1,0,1]=4 1092 B14R2.6 c1ccc(C[C@@H]2CNCOC2)cc1 Amb28141038 [0,0,1,1,0,0|1,0,1]=4 1093 B14R2.277 O=C1OCC(Cl)C1c2ccccc2 Amb27863423 [0,0,1,1,0,0|2,0,0]=4 1094 B14R2.14 OCC1N=COC1c2ccccc2 Amb27456513 [0,0,1,1,0,0|1,0,0]=3 1095 B14R2.14 OC[C@@H]1CCN[C@@H]1c2ccccc2 Amb27632392 [0,0,1,1,0,0|1,0,1]=4 1096 B14R2.44 NCCC1Cc2ccccc2C1O Amb18824971 [0,0,1,1,0,0|1,0,1]=4 1097 B14R2.44 O=CNC1Cc2ccccc2C1O Amb27791913 [0,0,1,1,0,0|1,0,1]=4 1098 B14R2.44 O=CN[C@H]1Cc2ccccc2[C@@H]1O Amb27788473 [0,0,1,1,0,0|1,0,1]=4 1099 B14R2.44 O=COC1Cc2ccccc2C1O Amb17594527 [0,0,1,1,0,0|2,0,0]=4 1100 B14R2.44 O=CO[C@H]1Cc2ccccc2[C@@H]1O Amb27220562 [0,0,1,1,0,0|2,0,0]=4 1101 B14R2.44 O=CO[C@H]1Cc2ccccc2[C@H]1O Amb17673664 [0,0,1,1,0,0|2,0,0]=4 1102 B14R2.44 [N-]=[N+]=N[C@@H]1Cc2ccccc2[C@H]1O Amb27858975 [0,0,1,1,0,0|1,0,1]=4 1103 B14R2.112 NCCC1COc2ccccc2C1 Amb18195874 [0,0,1,1,0,0|1,0,1]=4 1104 B14R2.112 NNCC1COc2ccccc2C1 Amb24382769 [0,0,1,1,0,0|2,0,0]=4 1105 B14R2.112 NOCC1COc2ccccc2C1 Amb33423217 [0,0,1,1,0,0|2,0,0]=4 1106 B14R2.112 O=C=NC1COc2ccccc2C1 Amb19334536 [0,0,1,1,0,0|1,0,1]=4 1107 B14R2.112 O=CCC1COc2ccccc2C1 Amb33448276 [0,0,1,1,0,0|2,0,0]=4 1108 B14R2.143 OCC1CC=Cc2ccccc2C1 Amb27456749 [0,0,1,1,0,0|2,0,0]=4 1109 B14R2.1019 CCC1N=C(N)c2ccccc2N1 Amb27796178 [0,0,1,1,0,0|2,0,0]=4 1110 B14R2.1019 O=C1NC(CO)Cc2ccccc21 Amb20248374 [0,0,1,1,0,0|1,0,1]=4 1111 B14R2.1019 O=C1N[C@H](CO)Cc2ccccc21 Amb28363833 [0,0,1,1,0,0|1,0,1]=4 1112 B14R2.1019 O=C1O[C@@H](CO)Cc2ccccc21 Amb27588930 [0,0,1,1,0,0|2,0,0]=4 1113 B14R2.1019 O=C1O[C@H](CO)Cc2ccccc21 Amb27472654 [0,0,1,1,0,0|2,0,0]=4 1114 B14R2.2 CC(=N)NC1CCc2ccccc21 Amb27647883 [0,0,1,1,0,0|2,0,0]=4 1115 B14R2.2 CC(=O)OC1CCc2ccccc21 Amb24323359 [0,0,1,1,0,0|2,0,0]=4 1116 B14R2.2 N=C(N)CC1CCc2ccccc21 Amb33144967 [0,0,1,1,0,0|1,0,0]=3 1117 B14R2.2 N=C(N)CC1COc2ccccc21 Amb24489806 [0,0,1,1,0,0|2,0,0]=4 1118 B14R2.2 N=C(N)CC1COc2ccccc21 Amb28556046 [0,0,1,1,0,0|2,0,0]=4 1119 B14R2.2 N=C(N)CN1CCc2ccccc21 Amb20667896 [0,0,1,1,0,0|2,0,0]=4 1120 B14R2.2 N=C(N)CN1CCc2ccccc21 Amb32653425 [0,0,1,1,0,0|2,0,0]=4 1121 B14R2.2 N=C(N)CN1CCc2ccccc21 Amb6267477 [0,0,1,1,0,0|2,0,0]=4 1122 B14R2.2 N=C(N)NC1CCc2ccccc21 Amb18183953 [0,0,1,1,0,0|1,0,0]=3 1123 B14R2.2 N=C(N)NC1COc2ccccc21 Amb28139198 [0,0,1,1,0,0|2,0,0]=4 1124 B14R2.2 N=C(N)NC1NCc2ccccc21 Amb27760416 [0,0,1,1,0,0|2,0,0]=4 1125 B14R2.2 N=C(N)SC1CCc2ccccc21 Amb22330388 [0,0,1,1,0,0|0,1,0]=3 1126 B14R2.2 N=C(N)SC1CCc2ccccc21 Amb24113402 [0,0,1,1,0,0|0,1,0]=3 1127 B14R2.2 NC(=O)CC1CCc2ccccc21 Amb17233113 [0,0,1,1,0,0|2,0,0]=4 1128 B14R2.2 NC(=S)CC1CCc2ccccc21 Amb33144212 [0,0,1,1,0,0|2,0,0]=4 1129 B14R2.2 NC(N)=NC1CCc2ccccc21 Amb33550638 [0,0,1,1,0,0|1,0,1]=4 1130 B14R2.21 C=C1OCCC(c2ccccc2)O1 Amb25897352 [0,0,1,1,0,0|2,0,0]=4 1131 B14R2.21 CC1NC(c2ccccc2)CCO1 Amb33193177 [0,0,1,1,0,0|1,0,1]=4 1132 B14R2.21 NC1=NC(c2ccccc2)CCN1 Amb18127516 [0,0,1,1,0,0|1,0,0]=3 1133 B14R2.21 NC1=NC(c2ccccc2)CCN1 Amb35752611 [0,0,1,1,0,0|1,0,0]=3 1134 B14R2.21 O=C1CC(c2ccccc2)CCO1 Amb22499444 [0,0,1,1,0,0|2,0,0]=4 1135 B14R2.21 O=C1CCCC(c2ccccc2)N1 Amb2615419 [0,0,1,1,0,0|2,0,0]=4 1136 B14R2.21 O=C1C[C@@H](c2ccccc2)CCO1 Amb27187321 [0,0,1,1,0,0|2,0,0]=4 1137 B14R2.21 O=C1NC(c2ccccc2)CCO1 Amb27481645 [0,0,1,1,0,0|1,0,0]=3 1138 B14R2.21 O=C1NC(c2ccccn2)CCO1 Amb27396944 [0,0,1,1,0,0|2,0,0]=4 1139 B14R2.21 O=C1NCCC(c2ccccc2)N1 Amb25733512 [0,0,1,1,0,0|2,0,0]=4 1140 B14R2.21 O=C1NN(c2ccccc2)CCO1 Amb27826339 [0,0,1,1,0,0|2,0,0]=4 1141 B14R2.21 O=C1N[C@H](c2ccccn2)CCO1 Amb27172183 [0,0,1,1,0,0|2,0,0]=4 1142 B14R2.21 O=C1N[C@H](c2ccncc2)CCO1 Amb27951607 [0,0,1,1,0,0|2,0,0]=4 1143 B14R2.436 O=C1C[C@@H](CCc2ccccc2)N1 Amb27413661 [0,0,1,1,0,0|2,0,0]=4 1144 B14R2.436 O=C1C[C@H](CCc2ccccc2)N1 Amb27206618 [0,0,1,1,0,0|2,0,0]=4 1145 B14R2.780 NC(=O)N1CCC1c2ccccc2 Amb26332685 [0,0,1,1,0,0|2,0,0]=4 1146 B14R2.790 N=C(N)N[C@H]1C[C@@H]1c2ccccc2 Amb27202803 [0,0,1,1,0,0|1,0,0]=3 1147 B14R2.790 NC(=O)C[C@@H]1C[C@H]1c2ccccc2 Amb27420759 [0,0,1,1,0,0|2,0,0]=4 1148 B14R2.790 NC(=O)N[C@H]1C[C@@H]1c2ccccc2 Amb27966822 [0,0,1,1,0,0|2,0,0]=4 1149 B14R2.31137 CC(=O)OCC1Cc2ccccc21 Amb27774602 [0,0,1,1,0,0|2,0,0]=4 1150 B14R2.31137 NC(=O)NCC1Cc2ccccc21 Amb27453203 [0,0,1,1,0,0|2,0,0]=4 1151 B14R2.31359 N=C(N)C1CCCc2ccccc21 Amb20667628 [0,0,1,1,0,0|1,0,0]=3 1152 B14R2.31359 N=C(N)C1CCCc2ccccc21 Amb22059226 [0,0,1,1,0,0|1,0,0]=3 1153 B14R2.31359 N=C(N)C1CCOc2ccccc21 Amb24453494 [0,0,1,1,0,0|2,0,0]=4 1154 B14R2.31359 N=C(N)C1CCOc2ccccc21 Amb32664623 [0,0,1,1,0,0|2,0,0]=4 1155 B14R2.31359 N=C(N)C1OCCc2ccccc21 Amb28555982 [0,0,1,1,0,0|2,0,0]=4 1156 B14R2.31359 N=C(N)N1CCCc2ccccc21 Amb6682741 [0,0,1,1,0,0|1,0,0]=3 1157 B14R2.31359 NC(=O)N1CCCc2ccccc21 Amb1126930 [0,0,1,1,0,0|2,0,0]=4 1158 B14R2.31359 NC(=S)C1CCCc2ccccc21 Amb6893241 [0,0,1,1,0,0|2,0,0]=4 1159 B14R2.31359 NC(=S)N1CCCc2ccccc21 Amb1135602 [0,0,1,1,0,0|2,0,0]=4 1160 B14R2.642 CC1Cc2ccccc2N1C(=N)N Amb2079638 [0,0,1,1,0,0|1,0,1]=4 1161 B14R2.642 CC1Cc2ccccc2N1C(N)=S Amb17116003 [0,0,1,1,0,0|0,1,1]=4 1162 B14R2.768 N=C(N)CC1Cc2ccccc2C1 Amb33342303 [0,0,1,1,0,0|2,0,0]=4 1163 B14R2.768 N=C(N)NC1Cc2ccccc2C1 Amb1915288 [0,0,1,1,0,0|1,0,1]=4 1164 B14R2.768 NC(=O)NC1Cc2ccccc2C1 Amb28325723 [0,0,1,1,0,0|0,0,2]=4 1165 B14R2.768 NC(=S)CC1Cc2ccccc2C1 Amb33342302 [0,0,1,1,0,0|1,1,0]=4 1166 B14R2.768 NC(=S)NC1Cc2ccccc2C1 Amb28252273 [0,0,1,1,0,0|0,1,1]=4 1167 B14R2.768 O=C(O)CC1Cc2ccccc2C1 Amb3939855 [0,0,1,1,0,0|2,0,0]=4 1168 B14R2.4586 CC1C(C(=O)O)C1c2ccccc2 Amb24440802 [0,0,1,1,0,0|2,0,0]=4 1169 B14R2.4586 CC1C(C(N)=O)C1c2ccccc2 Amb27484030 [0,0,1,1,0,0|1,0,1]=4 1170 B14R2.4586 C[C@H]1[C@H](C(=O)O)[C@@H]1c2ccccc2 Amb28052089 [0,0,1,1,0,0|2,0,0]=4 1171 B14R2.68 NC1=NCC(c2ccccc2)CC1 Amb27657666 [0,0,1,1,0,0|1,0,0]=3 1172 B14R2.68 NC1=NCC(c2ccccc2)CN1 Amb18127515 [0,0,1,1,0,0|1,0,0]=3 1173 B14R2.68 NC1=NCC(c2ccccc2)CN1 Amb35751146 [0,0,1,1,0,0|1,0,0]=3 1174 B14R2.68 NC1=NCC(c2ccncc2)CN1 Amb24670844 [0,0,1,1,0,0|2,0,0]=4 1175 B14R2.68 O=C1CCC(c2ccccc2)CO1 Amb28122923 [0,0,1,1,0,0|2,0,0]=4 1176 B14R2.68 O=C1NCC(c2ccccc2)CO1 Amb28208260 [0,0,1,1,0,0|1,0,1]=4 1177 B14R2.68 OC1=NCC(c2ccccc2)CC1 Amb4434103 [0,0,1,1,0,0|2,0,0]=4 1178 B14R2.95 COC(=O)C1CCc2ccccc21 Amb10563171 [0,0,1,1,0,0|2,0,0]=4 1179 B14R2.95 COC(=O)N1CCc2ccccc21 Amb6317361 [0,0,1,1,0,0|1,0,1]=4 1180 B14R2.958 COC(=O)C1CC1c2ccccc2 Amb6740592 [0,0,1,1,0,0|2,0,0]=4 1181 B14R2.958 COC(=O)[C@@H]1C[C@H]1c2ccccc2 Amb24526297 [0,0,1,1,0,0|2,0,0]=4 1182 B14R2.35816 C\N=C(\N)NC1Cc2ccccc21 Amb27412712 [0,0,1,1,0,0|1,0,1]=4 1183 B14R3.49 C1=CC2c3ccccc3CC2N1 Amb28351295 [1,0,0,1,0,0|1,0,1]=4 1184 B14R3.630 O=C1C[C@H]2c3ccccc3C[C@@H]12 Amb27268023 [0,0,0,1,1,0|2,0,0]=4 1185 B14R3.630 O=C1NC2c3ccccc3CC12 Amb25808812 [0,0,0,1,1,0|2,0,0]=4 1186 B14R3.630 O=C1N[C@H]2c3ccccc3C[C@@H]12 Amb1993731 [0,0,0,1,1,0|2,0,0]=4 1187 B14R3.8288 O=C1CC2Cc3ccccc3C12 Amb3987714 [0,0,0,1,1,0|2,0,0]=4 1188 B16R3.2583 S=C1NC2c3ccccc3CC2CO1 Amb28074039 [0,0,0,1,0,1|1,0,1]=4 1189 B16R3.2274 O=C1NC2Cc3ccccc3C(C2)O1 Amb27585600 [0,0,0,1,0,1|1,0,1]=4 1190 B16R3.335 O=C1C[C@@H]2CCc3ccccc3[C@H]2O1 Amb28463677 [0,0,0,1,0,1|2,0,0]=4 1191 B16R3.335 [C@@H]12CCc3ccccc3[C@@H]1OC(=O)C2 Amb17778862 [0,0,0,1,0,1|2,0,0]=4 1192 B16R3.2022 Nc1nc(C2Cc3ccccc32)no1 Amb27417622 [0,0,0,1,0,1|1,0,1]=4 1193 B16R3.10764 O=C1NC2(CCc3ccccc32)CO1 Amb27391879 [0,0,0,1,0,1|1,0,1]=4 1194 B16R3.17392 O=C1OCC2CNc3ccccc3N12 Amb27481854 [0,0,0,1,0,1|1,0,1]=4 1195 B16R3.18423 Nc1ccc2c(c1)[C@@H]3OC(=O)C[C@@H]3C2 Amb28245874 [0,1,0,1,0,0|2,0,0]=4 1196 B16R3.17428 O=C1OCC2Cc3ccccc3CN12 Amb22643151 [0,1,0,1,0,0|1,0,1]=4 1197 B12R1.3 C=CCC(CO)c1ccccc1 Amb32665506 [0,0,1,0,1,0|2,0,0]=4 1198 B12R1.3 O=C=NC(CO)c1ccccc1 Amb27596918 [0,0,1,0,1,0|1,0,1]=4 1199 B12R1.3 [N-]=[N+]=NC(CO)c1ccccc1 Amb25806192 [0,0,1,0,1,0|1,0,1]=4 1200 B12R1.3 [N-]=[N+]=N[C@@H](CO)c1ccccc1 Amb25772941 [0,0,1,0,1,0|1,0,1]=4 1201 B12R1.43 CC(=O)C(C)Cc1ccccc1 Amb17232407 [0,0,1,0,1,0|1,0,1]=4 1202 B12R1.43 CC(Cc1ccccc1)C(=O)Cl Amb5744098 [0,0,1,0,1,0|1,0,1]=4 1203 B12R1.43 CC(Cc1ccccc1)C(=O)O Amb3939940 [0,0,1,0,1,0|1,0,0]=3 1204 B12R1.43 CC(Cc1ccccc1)C(N)=O Amb2701804 [0,0,1,0,1,0|0,0,1]=3 1205 B12R1.43 CC(Cc1ccccn1)C(=O)O Amb5744008 [0,0,1,0,1,0|2,0,0]=4 1206 B12R1.43 CC(Cc1cccnc1)C(=O)O Amb5744009 [0,0,1,0,1,0|2,0,0]=4 1207 B12R1.43 CC(Cc1cccnc1)C(N)=O Amb28072992 [0,0,1,0,1,0|1,0,1]=4 1208 B12R1.43 CC(Cc1ccncc1)C(=O)O Amb33743550 [0,0,1,0,1,0|2,0,0]=4 1209 B12R1.43 CC(Cc1ccncc1)C(=O)O Amb5744010 [0,0,1,0,1,0|2,0,0]=4 1210 B12R1.43 CC(Nc1ccccc1)C(=O)O Amb1213440 [0,0,1,0,1,0|2,0,0]=4 1211 B12R1.43 CC(Nc1ccccc1)C(N)=S Amb27955863 [0,0,1,0,1,0|1,1,0]=4 1212 B12R1.43 CC(O)C(C)Cc1ccccc1 Amb17232485 [0,0,1,0,1,0|1,0,1]=4 1213 B12R1.43 CC(O)[C@H](C)Cc1ccccc1 Amb27761643 [0,0,1,0,1,0|1,0,1]=4 1214 B12R1.43 CC(Oc1ccccc1)C(=O)O Amb9702438 [0,0,1,0,1,0|2,0,0]=4 1215 B12R1.43 CC(Oc1ccccc1)C(N)=O Amb3886659 [0,0,1,0,1,0|1,0,1]=4 1216 B12R1.43 CC(Oc1ccccc1)C(N)=S Amb17233851 [0,0,1,0,1,0|1,1,0]=4 1217 B12R1.43 CC(Sc1ccccc1)C(=O)O Amb9745732 [0,0,1,0,1,0|2,0,0]=4 1218 B12R1.43 CC(Sc1ccccc1)C(N)=O Amb10665761 [0,0,1,0,1,0|1,0,1]=4 1219 B12R1.43 CN(Cc1ccccc1)C(=N)N Amb4476991 [0,0,1,0,1,0|2,0,0]=4 1220 B12R1.43 CN(Cc1ccccc1)C(=N)N Amb8503406 [0,0,1,0,1,0|2,0,0]=4 1221 B12R1.43 CN(Cc1ccccc1)C(N)=O Amb6250028 [0,0,1,0,1,0|1,0,1]=4 1222 B12R1.43 CN(Cc1ccccc1)C(N)=S Amb6251792 [0,0,1,0,1,0|1,1,0]=4 1223 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O Amb10844540 [0,0,1,0,1,0|1,0,0]=3 1224 B12R1.43 C[C@@H](Cc1ccccn1)C(=O)O Amb10843999 [0,0,1,0,1,0|2,0,0]=4 1225 B12R1.43 C[C@@H](Cc1cccnc1)C(=O)O Amb10844005 [0,0,1,0,1,0|2,0,0]=4 1226 B12R1.43 C[C@@H](Cc1ccncc1)C(=O)O Amb10844007 [0,0,1,0,1,0|2,0,0]=4 1227 B12R1.43 C[C@@H](Nc1ccccc1)C(=O)O Amb22801823 [0,0,1,0,1,0|2,0,0]=4 1228 B12R1.43 C[C@@H](Oc1ccccc1)C(=O)O Amb22736710 [0,0,1,0,1,0|2,0,0]=4 1229 B12R1.43 C[C@@H](Sc1ccccc1)C(=O)O Amb27425234 [0,0,1,0,1,0|2,0,0]=4 1230 B12R1.43 C[C@H](Cc1ccccc1)C(=O)O Amb10844541 [0,0,1,0,1,0|1,0,0]=3 1231 B12R1.43 C[C@H](Cc1ccccc1)C(N)=O Amb28319376 [0,0,1,0,1,0|0,0,1]=3 1232 B12R1.43 C[C@H](Cc1ccccn1)C(=O)O Amb10843998 [0,0,1,0,1,0|2,0,0]=4 1233 B12R1.43 C[C@H](Cc1cccnc1)C(=O)O Amb10844004 [0,0,1,0,1,0|2,0,0]=4 1234 B12R1.43 C[C@H](Cc1ccncc1)C(=O)O Amb10844006 [0,0,1,0,1,0|2,0,0]=4 1235 B12R1.43 C[C@H](Nc1ccccc1)C(=O)O Amb24434019 [0,0,1,0,1,0|2,0,0]=4 1236 B12R1.43 C[C@H](O)[C@@H](C)Cc1ccccc1 Amb27207474 [0,0,1,0,1,0|1,0,1]=4 1237 B12R1.43 C[C@H](Oc1ccccc1)C(=O)O Amb22736711 [0,0,1,0,1,0|2,0,0]=4 1238 B12R1.43 C[C@H](Oc1ccccc1)C(N)=O Amb27431501 [0,0,1,0,1,0|1,0,1]=4 1239 B12R1.43 N=C(N)C(N)Cc1ccccc1 Amb27813157 [0,0,1,0,1,0|2,0,0]=4 1240 B12R1.43 N=C(N)C(O)Cc1ccccc1 Amb28137730 [0,0,1,0,1,0|2,0,0]=4 1241 B12R1.43 NC(=O)C(Br)Cc1ccccc1 Amb23533327 [0,0,1,0,1,0|1,0,1]=4 1242 B12R1.43 NC(=O)C(Cl)Cc1ccccc1 Amb17204334 [0,0,1,0,1,0|1,0,1]=4 1243 B12R1.43 NC(=O)C(N)Cc1ccccc1 Amb20240621 [0,0,1,0,1,0|1,0,1]=4 1244 B12R1.43 NC(=O)C(N)Cc1ccccc1 Amb9727200 [0,0,1,0,1,0|1,0,1]=4 1245 B12R1.43 NC(=O)C(O)Cc1ccccc1 Amb18800896 [0,0,1,0,1,0|1,0,1]=4 1246 B12R1.43 NC(=O)C(S)Cc1ccccc1 Amb27663190 [0,0,1,0,1,0|1,0,1]=4 1247 B12R1.43 NC(=O)[C@@H](Br)Cc1ccccc1 Amb27240179 [0,0,1,0,1,0|1,0,1]=4 1248 B12R1.43 NC(=O)[C@@H](N)Cc1ccccc1 Amb6295777 [0,0,1,0,1,0|1,0,1]=4 1249 B12R1.43 NC(=O)[C@@H](N)Cc1ccccc1 Amb9825510 [0,0,1,0,1,0|1,0,1]=4 1250 B12R1.43 NC(=O)[C@@H](O)Cc1ccccc1 Amb26371653 [0,0,1,0,1,0|1,0,1]=4 1251 B12R1.43 NC(=O)[C@H](Cl)Cc1ccccc1 Amb28385619 [0,0,1,0,1,0|1,0,1]=4 1252 B12R1.43 NC(=O)[C@H](N)Cc1ccccc1 Amb16183950 [0,0,1,0,1,0|1,0,1]=4 1253 B12R1.43 NC(=O)[C@H](N)Cc1ccccc1 Amb33800758 [0,0,1,0,1,0|1,0,1]=4 1254 B12R1.43 NC(=O)[C@H](O)Cc1ccccc1 Amb25359872 [0,0,1,0,1,0|1,0,1]=4 1255 B12R1.43 NC(=S)C(O)Cc1ccccc1 Amb27398697 [0,0,1,0,1,0|1,1,0]=4 1256 B12R1.43 NC(Cc1ccccc1)C(=O)O Amb19958284 [0,0,1,0,1,0|2,0,0]=4 1257 B12R1.43 NC(Cc1ccccc1)C(=O)O Amb9703092 [0,0,1,0,1,0|2,0,0]=4 1258 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O Amb22351110 [0,0,1,0,1,0|2,0,0]=4 1259 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O Amb3940754 [0,0,1,0,1,0|2,0,0]=4 1260 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O Amb2725663 [0,0,1,0,1,0|2,0,0]=4 1261 B12R1.43 O=C(O)C(Br)Cc1ccccc1 Amb8392806 [0,0,1,0,1,0|2,0,0]=4 1262 B12R1.43 O=C(O)C(Cl)Cc1ccccc1 Amb17204339 [0,0,1,0,1,0|2,0,0]=4 1263 B12R1.43 O=C(O)C(F)Cc1ccccc1 Amb27863462 [0,0,1,0,1,0|2,0,0]=4 1264 B12R1.43 O=C(O)C(O)Cc1ccccc1 Amb2718772 [0,0,1,0,1,0|2,0,0]=4 1265 B12R1.43 O=C(O)C(S)Cc1ccccc1 Amb18289035 [0,0,1,0,1,0|2,0,0]=4 1266 B12R1.43 O=C(O)[C@@H](Cl)Cc1ccccc1 Amb24707843 [0,0,1,0,1,0|2,0,0]=4 1267 B12R1.43 O=C(O)[C@@H](F)Cc1ccccc1 Amb27983597 [0,0,1,0,1,0|2,0,0]=4 1268 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 Amb6295887 [0,0,1,0,1,0|2,0,0]=4 1269 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 Amb3940793 [0,0,1,0,1,0|2,0,0]=4 1270 B12R1.107 CC(CC(=N)N)c1ccccc1 Amb25898810 [0,0,1,0,1,0|2,0,0]=4 1271 B12R1.107 CC(CC(=O)O)c1ccccc1 Amb1207393 [0,0,1,0,1,0|2,0,0]=4 1272 B12R1.107 CC(CC(N)=O)c1ccccc1 Amb3886650 [0,0,1,0,1,0|1,0,1]=4 1273 B12R1.107 CC(CC(N)=S)c1ccccc1 Amb24583414 [0,0,1,0,1,0|1,1,0]=4 1274 B12R1.107 CC(NC(=N)N)c1ccccc1 Amb10669498 [0,0,1,0,1,0|1,0,1]=4 1275 B12R1.107 CC(NC(=N)N)c1ccccc1 Amb22284229 [0,0,1,0,1,0|1,0,1]=4 1276 B12R1.107 CC(NC(N)=O)c1ccccc1 Amb1135151 [0,0,1,0,1,0|0,0,2]=4 1277 B12R1.107 CC(NC(N)=S)c1ccccc1 Amb1645582 [0,0,1,0,1,0|0,1,1]=4 1278 B12R1.107 CC(NC(O)=S)c1ccccc1 Amb27614814 [0,0,1,0,1,0|1,0,1]=4 1279 B12R1.107 CC(SC(=N)N)c1ccccc1 Amb6373046 [0,0,1,0,1,0|2,0,0]=4 1280 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 Amb10844379 [0,0,1,0,1,0|2,0,0]=4 1281 B12R1.107 C[C@@H](NC(N)=O)c1ccccc1 Amb22232053 [0,0,1,0,1,0|0,0,2]=4 1282 B12R1.107 C[C@H](CC(=O)O)c1ccccc1 Amb10844340 [0,0,1,0,1,0|2,0,0]=4 1283 B12R1.107 C[C@H](NC(N)=O)c1ccccc1 Amb22232024 [0,0,1,0,1,0|0,0,2]=4 1284 B12R1.107 C[C@H](NC(N)=S)c1ccccc1 Amb27614623 [0,0,1,0,1,0|0,1,1]=4 1285 B12R1.107 C\C(N)=N\N(C)c1ccccc1 Amb26589111 [0,0,1,0,1,0|2,0,0]=4 1286 B12R1.27 CCC(=O)CCc1ccccc1 Amb3940674 [0,0,1,0,1,0|2,0,0]=4 1287 B12R1.27 CCC(N)CCc1ccccc1 Amb9031865 [0,0,1,0,1,0|1,0,1]=4 1288 B12R1.27 CNC(=O)CCc1ccccc1 Amb3886651 [0,0,1,0,1,0|2,0,0]=4 1289 B12R1.27 CNC(=S)CCc1ccccc1 Amb4430624 [0,0,1,0,1,0|2,0,0]=4 1290 B12R1.27 COC(=N)CCc1ccccn1 Amb18563625 [0,0,1,0,1,0|1,0,1]=4 1291 B12R1.27 COC(=N)CCc1cccnc1 Amb18563630 [0,0,1,0,1,0|1,0,1]=4 1292 B12R1.27 COC(=N)CCc1ccncc1 Amb18563635 [0,0,1,0,1,0|1,0,1]=4 1293 B12R1.27 COC(=N)CSc1ccccc1 Amb29847972 [0,0,1,0,1,0|1,0,1]=4 1294 B12R1.27 COC(=O)CCc1ccccc1 Amb843216 [0,0,1,0,1,0|1,0,0]=3 1295 B12R1.27 COC(=O)CCc1cccnc1 Amb6357821 [0,0,1,0,1,0|2,0,0]=4 1296 B12R1.27 COC(=O)CCc1ccncc1 Amb10604945 [0,0,1,0,1,0|2,0,0]=4 1297 B12R1.27 COC(=O)CNc1ccccc1 Amb33548260 [0,0,1,0,1,0|2,0,0]=4 1298 B12R1.27 COC(=O)CNc1ccccc1 Amb6323391 [0,0,1,0,1,0|2,0,0]=4 1299 B12R1.27 COC(=O)COc1ccccc1 Amb2689596 [0,0,1,0,1,0|2,0,0]=4 1300 B12R1.27 COC(=O)CSc1ccccc1 Amb2689638 [0,0,1,0,1,0|2,0,0]=4 1301 B12R1.27 COC(=O)NCc1ccccc1 Amb2746993 [0,0,1,0,1,0|1,0,1]=4 1302 B12R1.27 COC(=O)OCc1ccccc1 Amb25034726 [0,0,1,0,1,0|2,0,0]=4 1303 B12R1.27 COC(=S)NCc1ccccc1 Amb27388388 [0,0,1,0,1,0|1,0,1]=4 1304 B12R1.27 N\C(CCc1ccccc1)=N/O Amb1115853 [0,0,1,0,1,0|2,0,0]=4 1305 B12R1.27 N\C(CCc1ccccc1)=N\O Amb22053006 [0,0,1,0,1,0|2,0,0]=4 1306 B12R2.2 C1=NC(c2cccnc2)CC1 Amb17616205 [1,0,0,0,1,0|2,0,0]=4 1307 B12R2.2 C1=N[C@@H](c2ccccc2)CN1 Amb27174575 [1,0,0,0,1,0|1,0,0]=3 1308 B12R2.2 c1ccc(-c2cocn2)cc1 Amb17399894 [1,0,0,0,1,0|0,0,2]=4 1309 B12R2.2 c1ccc(-c2ncon2)cc1 Amb28457268 [1,0,0,0,1,0|1,0,1]=4 1310 B12R2.2 c1ccc([C@H]2COCN2)cc1 Amb25877610 [1,0,0,0,1,0|0,0,2]=4 1311 B12R2.2058 B1CC(Cc2ccccc2)C1 Amb25243383 [1,0,0,0,1,0|1,0,1]=4 1312 B12R2.2058 c1cc(CC2COC2)ccn1 Amb32456061 [1,0,0,0,1,0|1,0,1]=4 1313 B12R2.2058 c1ccc(CC2CCN2)cc1 Amb33552346 [1,0,0,0,1,0|0,0,2]=4 1314 B12R2.2058 c1ccc(CC2CCN2)cc1 Amb7808794 [1,0,0,0,1,0|0,0,2]=4 1315 B12R2.2058 c1ccc(CC2CNC2)cc1 Amb1123190 [1,0,0,0,1,0|1,0,1]=4 1316 B12R2.2058 c1ccc(CC2CNC2)cc1 Amb19373673 [1,0,0,0,1,0|1,0,1]=4 1317 B12R2.2058 c1ccc(CC2COC2)cc1 Amb27602505 [1,0,0,0,1,0|0,0,1]=3 1318 B12R2.2058 c1ccc(NC2COC2)cc1 Amb33538163 [1,0,0,0,1,0|1,0,1]=4 1319 B12R2.2058 c1ccc(SC2COC2)cc1 Amb25145934 [1,0,0,0,1,0|1,0,1]=4 1320 B12R2.2058 c1cncc(CC2COC2)c1 Amb32456059 [1,0,0,0,1,0|1,0,1]=4 1321 B12R2.6 NC1=NC(c2ccns2)CO1 Amb35716402 [0,0,0,0,2,0|2,0,0]=4 1322 B12R2.22 C=C1CC(c2ccccc2)C1 Amb35681149 [0,0,0,0,2,0|2,0,0]=4 1323 B12R2.22 NC1CC(c2ccccc2)C1 Amb19514746 [0,0,0,0,2,0|1,0,1]=4 1324 B12R2.22 NC1CC(c2ccccc2)C1 Amb9496746 [0,0,0,0,2,0|1,0,1]=4 1325 B12R2.22 N[C@H]1C[C@@H](c2ccccc2)C1 Amb23439754 [0,0,0,0,2,0|1,0,1]=4 1326 B12R2.22 N[C@H]1C[C@@H](c2ccccc2)C1 Amb32653334 [0,0,0,0,2,0|1,0,1]=4 1327 B12R2.22 N[C@H]1C[C@H](c2ccccc2)C1 Amb23439755 [0,0,0,0,2,0|1,0,1]=4 1328 B12R2.22 N[C@H]1C[C@H](c2ccccc2)C1 Amb33473674 [0,0,0,0,2,0|1,0,1]=4 1329 B12R2.22 O=C1CC(c2ccccc2)C1 Amb6739873 [0,0,0,0,2,0|2,0,0]=4 1330 B12R2.22 O=C1CC(c2ccccc2)N1 Amb1993905 [0,0,0,0,2,0|1,0,1]=4 1331 B12R2.22 S=C1CC(c2ccccc2)N1 Amb28182509 [0,0,0,0,2,0|1,0,1]=4 1332 B12R2.23 NC1CCC1c2ccccc2 Amb19335290 [0,0,0,0,2,0|1,0,1]=4 1333 B12R2.23 NC1CCC1c2ccccc2 Amb24120632 [0,0,0,0,2,0|1,0,1]=4 1334 B12R2.23 N[C@@H]1CC[C@@H]1c2ccccc2 Amb28594309 [0,0,0,0,2,0|1,0,1]=4 1335 B12R2.23 N[C@@H]1CC[C@@H]1c2ccccc2 Amb32665507 [0,0,0,0,2,0|1,0,1]=4 1336 B12R2.23 N[C@@H]1CC[C@H]1c2ccccc2 Amb25174969 [0,0,0,0,2,0|1,0,1]=4 1337 B12R2.23 N[C@@H]1CC[C@H]1c2ccccc2 Amb33447016 [0,0,0,0,2,0|1,0,1]=4 1338 B12R2.23 N[C@H]1CC[C@H]1c2ccccc2 Amb27789894 [0,0,0,0,2,0|1,0,1]=4 1339 B12R2.23 O=C1CCC1c2ccccc2 Amb19515483 [0,0,0,0,2,0|2,0,0]=4 1340 B12R2.23 O=C1CC[C@H]1c2ccccc2 Amb28253765 [0,0,0,0,2,0|2,0,0]=4 1341 B12R2.23 O=C1NCC1c2ccccc2 Amb614326 [0,0,0,0,2,0|2,0,0]=4 1342 B12R2.11 BrC1CC1Cc2ccccc2 Amb27176533 [0,0,0,0,2,0|1,0,1]=4 1343 B12R2.11 Br[C@H]1C[C@@H]1Cc2ccccc2 Amb28287700 [0,0,0,0,2,0|1,0,1]=4 1344 B12R2.11 Cl[C@@H]1C[C@@H]1Cc2ccccc2 Amb27640652 [0,0,0,0,2,0|1,0,1]=4 1345 B12R2.11 NC1CC1Cc2ccccc2 Amb18960797 [0,0,0,0,2,0|0,0,1]=3 1346 B12R2.11 NC1CC1Cc2ccccc2 Amb19375025 [0,0,0,0,2,0|0,0,1]=3 1347 B12R2.11 N[C@@H]1C[C@H]1Cc2ccccc2 Amb32953150 [0,0,0,0,2,0|0,0,1]=3 1348 B12R2.11 N[C@@H]1C[C@H]1Oc2ccccc2 Amb33347106 [0,0,0,0,2,0|1,0,1]=4 1349 B12R2.11 N[C@H]1C[C@@H]1Oc2ccccc2 Amb27494042 [0,0,0,0,2,0|1,0,1]=4 1350 B14R1.979 C=CCC(CO)NCc1ccccc1 Amb27974205 [0,0,1,0,0,1|2,0,0]=4 1351 B14R1.979 C=CC[C@@H](CO)OCc1ccccc1 Amb27457713 [0,0,1,0,0,1|2,0,0]=4 1352 B14R1.979 O=CCC(CO)OCc1ccccc1 Amb27388283 [0,0,1,0,0,1|2,0,0]=4 1353 B14R1.422 CC(=N)NCCOCc1ccccc1 Amb27428538 [0,0,1,0,0,1|2,0,0]=4 1354 B14R1.422 CC(=O)OCCCOc1ccccc1 Amb24046251 [0,0,1,0,0,1|2,0,0]=4 1355 B14R1.422 CC(=O)OCCNCc1ccccc1 Amb18929298 [0,0,1,0,0,1|2,0,0]=4 1356 B14R1.422 N=C(N)NCCCCc1ccccc1 Amb32412066 [0,0,1,0,0,1|1,0,0]=3 1357 B14R1.422 N=C(N)NCCOCc1ccccc1 Amb28255031 [0,0,1,0,0,1|1,0,0]=3 1358 B14R1.422 N=C(N)NNCCCc1ccccc1 Amb24064219 [0,0,1,0,0,1|1,0,0]=3 1359 B14R1.422 N=C(N)SCCCOc1ccccc1 Amb20675993 [0,0,1,0,0,1|0,1,0]=3 1360 B14R1.422 N=C(N)SCCNCc1ccccc1 Amb27446566 [0,0,1,0,0,1|0,1,0]=3 1361 B14R1.422 NC(=O)CCCOCc1ccccc1 Amb25073445 [0,0,1,0,0,1|2,0,0]=4 1362 B14R1.422 NC(=O)CCNCCc1ccccc1 Amb22587630 [0,0,1,0,0,1|2,0,0]=4 1363 B14R1.422 NC(=O)CCNCCc1ccccc1 Amb8511712 [0,0,1,0,0,1|2,0,0]=4 1364 B14R1.422 NC(=O)CNCCCc1ccccc1 Amb6714614 [0,0,1,0,0,1|2,0,0]=4 1365 B14R1.422 NC(=O)OCCC#Cc1ccccc1 Amb27975850 [0,0,1,0,0,1|1,0,1]=4 1366 B14R1.422 NC(=O)OCCNCc1ccccc1 Amb28145444 [0,0,1,0,0,1|1,0,0]=3 1367 B14R1.422 NC(=S)COCCCc1ccncc1 Amb9208892 [0,0,1,0,0,1|2,0,0]=4 1368 B14R1.422 NC(N)=NCCNCc1ccccc1 Amb26938735 [0,0,1,0,0,1|1,0,1]=4 1369 B14R2.101 C1=CCC(COc2ccccc2)C1 Amb35629192 [1,0,0,0,0,1|2,0,0]=4 1370 B14R2.101 C1=CCC(NCc2ccccc2)C1 Amb27414910 [1,0,0,0,0,1|2,0,0]=4 1371 B14R2.101 C1=CCC(OCc2ccccc2)C1 Amb25786312 [1,0,0,0,0,1|2,0,0]=4 1372 B14R2.101 C1=C[C@H](NCc2ccccc2)CC1 Amb27608598 [1,0,0,0,0,1|2,0,0]=4 1373 B14R2.101 c1ccc(CCc2ncon2)cc1 Amb27951724 [1,0,0,0,0,1|1,0,1]=4 1374 B14R2.101 c1ccc(CNC2CCOC2)cc1 Amb22490250 [1,0,0,0,0,1|1,0,1]=4 1375 B14R2.101 c1ccc(CSC2CCOC2)cc1 Amb27586140 [1,0,0,0,0,1|1,0,1]=4 1376 B14R2.101 c1ccc(NCC2CCOC2)cc1 Amb9739162 [1,0,0,0,0,1|1,0,1]=4 1377 B16R2.2832 Nc1nc(CCCc2ccccc2)co1 Amb33129276 [0,0,0,0,0,2|0,0,2]=4 1378 B16R2.2832 Nc1nc(COCc2ccccc2)no1 Amb27666114 [0,0,0,0,0,2|1,0,1]=4 1379 B16R2.2832 O=C1NC(CCOc2ccccc2)CO1 Amb33080548 [0,0,0,0,0,2|1,0,1]=4 1380 B16R2.2832 O=C1NC(COCc2ccccc2)CO1 Amb27646362 [0,0,0,0,0,2|1,0,1]=4 1381 B16R2.2832 O=C1OCC(COCc2ccccc2)O1 Amb10071643 [0,0,0,0,0,2|2,0,0]=4