0 B15R2.1 CCc1ccc(cc1)C2CCCCC2 Amb24056447 [0,0,1,0,0,0|1,0,2]=4 1 B15R2.1 CCc1ccc(cc1)C2CCCNC2 Amb17336155 [0,0,1,0,0,0|0,0,2]=3 2 B15R2.1 CCc1ccc(cc1)C2NCCNC2 Amb17234996 [0,0,1,0,0,0|1,0,1]=3 3 B15R2.1 CCc1ccc(cc1)C2NCCSC2 Amb17239648 [0,0,1,0,0,0|2,0,1]=4 4 B15R2.1 CCc1ccc(cc1)C2SCCNC2 Amb17239645 [0,0,1,0,0,0|1,0,1]=3 5 B15R2.1 CCc1ccc(cc1)C=2NCCCN2 Amb25692980 [0,0,1,0,0,0|3,0,0]=4 6 B15R2.1 CCc1ccc(cc1)[C@@H]2CNCCN2 Amb25759733 [0,0,1,0,0,0|1,0,1]=3 7 B15R2.1 CCc1ccc(cc1)[C@@H]2COCCN2 Amb25339429 [0,0,1,0,0,0|2,0,1]=4 8 B15R2.1 CCc1ccc(cc1)[C@H]2CCCCN2 Amb25791584 [0,0,1,0,0,0|2,0,1]=4 9 B15R2.1 CCc1ccc(cc1)[C@H]2CNCCC2 Amb25082566 [0,0,1,0,0,0|0,0,2]=3 10 B15R2.1 CCc1ccc(cc1)[C@H]2CNCCN2 Amb25719552 [0,0,1,0,0,0|1,0,1]=3 11 B15R2.1 CCc1ccc(cc1)[C@H]2COCCN2 Amb25723720 [0,0,1,0,0,0|2,0,1]=4 12 B15R2.1 CNc1ccc(cc1)[C@@H]2CNCCN2 Amb25293593 [0,0,1,0,0,0|2,0,1]=4 13 B15R2.1 CNc1ccc(cc1)[C@H]2CNCCC2 Amb24712368 [0,0,1,0,0,0|1,0,2]=4 14 B15R2.1 COc1[n]cc(c[n]1)C=2CNCCC2 Amb24391816 [0,0,1,0,0,0|3,0,0]=4 15 B15R2.1 COc1ccc([n]c1)C=2CNCCC2 Amb25852056 [0,0,1,0,0,0|2,0,0]=3 16 B15R2.1 COc1ccc(cc1)C2CNCCN2 Amb22756394 [0,0,1,0,0,0|2,0,1]=4 17 B15R2.1 COc1ccc(cc1)C2CNCCO2 Amb22228120 [0,0,1,0,0,0|2,0,1]=4 18 B15R2.1 COc1ccc(cc1)C2NCCNC2 Amb10070189 [0,0,1,0,0,0|2,0,1]=4 19 B15R2.1 COc1ccc(cc1)C2SCCNC2 Amb10068812 [0,0,1,0,0,0|2,0,1]=4 20 B15R2.1 COc1ccc(cc1)C=2CCCCN2 Amb23578245 [0,0,1,0,0,0|3,0,0]=4 21 B15R2.1 COc1ccc(cc1)C=2CCCNN2 Amb25080033 [0,0,1,0,0,0|2,0,1]=4 22 B15R2.1 COc1ccc(cc1)C=2CCNCC2 Amb19373381 [0,0,1,0,0,0|3,0,0]=4 23 B15R2.1 COc1ccc(cc1)[C@@H]2CNCCO2 Amb25675698 [0,0,1,0,0,0|2,0,1]=4 24 B15R2.1 COc1ccc(cc1)[C@H]2CNCCC2 Amb25366317 [0,0,1,0,0,0|1,0,2]=4 25 B15R2.1 COc1ccc(cc1)[C@H]2CNCCN2 Amb25347734 [0,0,1,0,0,0|2,0,1]=4 26 B15R2.1 COc1ccc(cc1)[C@H]2CNCCO2 Amb25705335 [0,0,1,0,0,0|2,0,1]=4 27 B15R2.1 CSc1ccc(cc1)C2CNCCC2 Amb18895879 [0,0,1,0,0,0|1,0,2]=4 28 B15R2.1 NCc1ccc(cc1)C=2CCCCC2 Amb25069082 [0,0,1,0,0,0|2,0,0]=3 29 B15R2.1 OCc1ccc(cc1)C2CNCCC2 Amb23585673 [0,0,1,0,0,0|1,0,2]=4 30 B15R2.1 OCc1ccc(cc1)C=2CCCCC2 Amb25846991 [0,0,1,0,0,0|2,0,0]=3 31 B15R2.1 OCc1ccc(cc1)[C@@H]2CNCCN2 Amb24455538 [0,0,1,0,0,0|2,0,1]=4 32 B15R2.17 CCc1cc(cc[n]1)C=2CNCCC2 Amb25152678 [0,0,1,0,0,0|1,0,0]=2 33 B15R2.17 CCc1cc(ccc1)C2CCCCN2 Amb24364269 [0,0,1,0,0,0|2,0,1]=4 34 B15R2.17 CCc1cc(ccc1)C2COCCN2 Amb25814314 [0,0,1,0,0,0|2,0,1]=4 35 B15R2.17 CCc1cc(ccc1)[C@@H]2CNCCN2 Amb24435573 [0,0,1,0,0,0|1,0,1]=3 36 B15R2.17 CCc1cc(ccc1)[C@H]2CCCCN2 Amb25077199 [0,0,1,0,0,0|2,0,1]=4 37 B15R2.17 COc1c[n]cc(c1)C=2CNCCC2 Amb25738310 [0,0,1,0,0,0|2,0,0]=3 38 B15R2.17 COc1cc(ccc1)C2CNCCC2 Amb21954353 [0,0,1,0,0,0|1,0,2]=4 39 B15R2.17 COc1cc(ccc1)[C@@H]2CNCCN2 Amb25736370 [0,0,1,0,0,0|2,0,1]=4 40 B15R2.17 COc1cc(ccc1)[C@H]2CNCCN2 Amb24526051 [0,0,1,0,0,0|2,0,1]=4 41 B15R2.17 COc1cccc(c1)C2=CCNCC2 Amb13951654 [0,0,1,0,0,0|3,0,0]=4 42 B15R2.17 COc1cccc(c1)C2CNCCS2 Amb17240393 [0,0,1,0,0,0|2,0,1]=4 43 B15R2.17 COc1cccc(c1)C=2CNCCC2 Amb24442461 [0,0,1,0,0,0|1,0,0]=2 44 B15R2.17 CSc1cc(ccc1)[C@@H]2CNCCC2 Amb24531611 [0,0,1,0,0,0|1,0,2]=4 45 B15R2.17 CSc1cc(ccc1)[C@@H]2CNCCN2 Amb25330753 [0,0,1,0,0,0|2,0,1]=4 46 B15R2.17 N#Cc1c[n]cc(c1)C=2CNCCC2 Amb24679647 [0,0,1,0,0,0|2,0,1]=4 47 B15R2.17 N#Cc1cccc(c1)C=2CNCCC2 Amb25346641 [0,0,1,0,0,0|1,0,1]=3 48 B15R2.17 NCc1cc(ccc1)C=2CCCCC2 Amb24572917 [0,0,1,0,0,0|2,0,0]=3 49 B15R2.17 O=Cc1cccc(c1)C=2CCCCC2 Amb25835613 [0,0,1,0,0,0|2,0,1]=4 50 B15R2.17 OCc1cc(ccc1)C2=CCCCO2 Amb25284511 [0,0,1,0,0,0|3,0,0]=4 51 B15R2.17 OCc1cc(ccc1)C2CNCCC2 Amb25758199 [0,0,1,0,0,0|1,0,2]=4 52 B15R2.17 OCc1cc(ccc1)C2CNCCN2 Amb25125355 [0,0,1,0,0,0|2,0,1]=4 53 B15R2.17 OCc1cc(ccc1)C=2CCOCC2 Amb25687905 [0,0,1,0,0,0|3,0,0]=4 54 B15R2.94 CN1C=CC(=CC1=O)C=2CNCCC2 Amb25031348 [0,0,1,0,0,0|2,0,0]=3 55 B15R2.94 Cc1[n]cc(cc1C)C=2CNCCC2 Amb25340934 [0,0,1,0,0,0|1,0,0]=2 56 B15R2.94 Cc1cc(ccc1Br)C2CNCCN2 Amb25317386 [0,0,1,0,0,0|2,0,1]=4 57 B15R2.94 Cc1cc(ccc1Br)C2CNCCO2 Amb25170301 [0,0,1,0,0,0|2,0,1]=4 58 B15R2.94 Cc1cc(ccc1Br)[C@H]2CNCCC2 Amb25726946 [0,0,1,0,0,0|1,0,2]=4 59 B15R2.94 Cc1cc(ccc1C)C2CCCCC2 Amb24612088 [0,0,1,0,0,0|1,0,2]=4 60 B15R2.94 Cc1cc(ccc1C)N2CCCCC2 Amb18932413 [0,0,1,0,0,0|2,0,1]=4 61 B15R2.94 Cc1cc(ccc1C)[C@@H]2CNCCN2 Amb25324258 [0,0,1,0,0,0|1,0,1]=3 62 B15R2.94 Cc1cc(ccc1C)[C@H]2CNCCN2 Amb25814343 [0,0,1,0,0,0|1,0,1]=3 63 B15R2.94 Cc1cc(ccc1Cl)C2CNCCN2 Amb25737136 [0,0,1,0,0,0|2,0,1]=4 64 B15R2.94 Cc1cc(ccc1Cl)C2CNCCO2 Amb25777795 [0,0,1,0,0,0|2,0,1]=4 65 B15R2.94 Cc1cc(ccc1Cl)[C@@H]2CNCCN2 Amb24728225 [0,0,1,0,0,0|2,0,1]=4 66 B15R2.94 Cc1cc(ccc1Cl)[C@H]2CNCCC2 Amb24459867 [0,0,1,0,0,0|1,0,2]=4 67 B15R2.94 Cc1cc(ccc1F)C2CNCCS2 Amb18569334 [0,0,1,0,0,0|2,0,1]=4 68 B15R2.94 Cc1cc(ccc1N)C2CNCCC2 Amb25138610 [0,0,1,0,0,0|1,0,2]=4 69 B15R2.94 Cc1cc(ccc1N)[C@@H]2CNCCC2 Amb24395004 [0,0,1,0,0,0|1,0,2]=4 70 B15R2.94 Cc1cc(ccc1N)[C@H]2CNCCC2 Amb24347388 [0,0,1,0,0,0|1,0,2]=4 71 B15R2.94 Cc1cc(ccc1O)C=2CCCCC2 Amb24620151 [0,0,1,0,0,0|2,0,0]=3 72 B15R2.94 Cc1cc(ccc1O)C=2CCCNN2 Amb18650606 [0,0,1,0,0,0|2,0,1]=4 73 B15R2.94 Cc1cc(ccc1O)[C@H]2CNCCN2 Amb25814342 [0,0,1,0,0,0|2,0,1]=4 74 B15R2.94 Cc1ccc(cc1Br)C2CNCCC2 Amb18154139 [0,0,1,0,0,0|1,0,2]=4 75 B15R2.94 Cc1ccc(cc1Br)[C@@H]2CNCCC2 Amb24499179 [0,0,1,0,0,0|1,0,2]=4 76 B15R2.94 Cc1ccc(cc1Br)[C@@H]2CNCCN2 Amb25722024 [0,0,1,0,0,0|2,0,1]=4 77 B15R2.94 Cc1ccc(cc1Br)[C@H]2CNCCC2 Amb24498956 [0,0,1,0,0,0|1,0,2]=4 78 B15R2.94 Cc1ccc(cc1C)C2CCCCN2 Amb2235414 [0,0,1,0,0,0|2,0,1]=4 79 B15R2.94 Cc1ccc(cc1C)C2CCCNC2 Amb17401356 [0,0,1,0,0,0|0,0,2]=3 80 B15R2.94 Cc1ccc(cc1C)C2CNCCN2 Amb17234997 [0,0,1,0,0,0|1,0,1]=3 81 B15R2.94 Cc1ccc(cc1C)C2CNCCS2 Amb18568287 [0,0,1,0,0,0|1,0,1]=3 82 B15R2.94 Cc1ccc(cc1C)C2COCCN2 Amb17235127 [0,0,1,0,0,0|2,0,1]=4 83 B15R2.94 Cc1ccc(cc1C)C2CSCCN2 Amb17239649 [0,0,1,0,0,0|2,0,1]=4 84 B15R2.94 Cc1ccc(cc1C)C=2CNCCC2 Amb25195811 [0,0,1,0,0,0|0,0,0]=1 85 B15R2.94 Cc1ccc(cc1C)[C@@H]2CCCCN2 Amb22745824 [0,0,1,0,0,0|2,0,1]=4 86 B15R2.94 Cc1ccc(cc1C)[C@@H]2CNCCC2 Amb24728322 [0,0,1,0,0,0|0,0,2]=3 87 B15R2.94 Cc1ccc(cc1C)[C@@H]2COCCN2 Amb24376665 [0,0,1,0,0,0|2,0,1]=4 88 B15R2.94 Cc1ccc(cc1C)[C@H]2CNCCC2 Amb24756652 [0,0,1,0,0,0|0,0,2]=3 89 B15R2.94 Cc1ccc(cc1C)[C@H]2COCCN2 Amb25228431 [0,0,1,0,0,0|2,0,1]=4 90 B15R2.94 Cc1ccc(cc1Cl)C2CNCCC2 Amb18176235 [0,0,1,0,0,0|1,0,2]=4 91 B15R2.94 Cc1ccc(cc1Cl)C2CNCCN2 Amb25791054 [0,0,1,0,0,0|2,0,1]=4 92 B15R2.94 Cc1ccc(cc1Cl)C=2CNCCC2 Amb24468540 [0,0,1,0,0,0|1,0,0]=2 93 B15R2.94 Cc1ccc(cc1Cl)[C@H]2CNCCN2 Amb25047341 [0,0,1,0,0,0|2,0,1]=4 94 B15R2.94 Cc1ccc(cc1F)C2CNCCC2 Amb24105539 [0,0,1,0,0,0|1,0,2]=4 95 B15R2.94 Cc1ccc(cc1F)C2CNCCN2 Amb25207743 [0,0,1,0,0,0|2,0,1]=4 96 B15R2.94 Cc1ccc(cc1F)C2CNCCO2 Amb25756924 [0,0,1,0,0,0|2,0,1]=4 97 B15R2.94 Cc1ccc(cc1F)C=2CCNCC2 Amb24744168 [0,0,1,0,0,0|3,0,0]=4 98 B15R2.94 Cc1ccc(cc1F)[C@H]2CNCCC2 Amb25119367 [0,0,1,0,0,0|1,0,2]=4 99 B15R2.94 Cc1ccc(cc1I)C2CNCCC2 Amb25856931 [0,0,1,0,0,0|1,0,2]=4 100 B15R2.94 Cc1ccc(cc1I)[C@@H]2CNCCC2 Amb25293845 [0,0,1,0,0,0|1,0,2]=4 101 B15R2.94 Cc1ccc(cc1N)C2CNCCN2 Amb24419930 [0,0,1,0,0,0|2,0,1]=4 102 B15R2.94 Cc1ccc(cc1N)C2CNCCO2 Amb25801870 [0,0,1,0,0,0|2,0,1]=4 103 B15R2.94 Cc1ccc(cc1N)[C@@H]2CNCCC2 Amb25785733 [0,0,1,0,0,0|1,0,2]=4 104 B15R2.94 Cc1ccc(cc1N)[C@@H]2CNCCN2 Amb25067284 [0,0,1,0,0,0|2,0,1]=4 105 B15R2.94 Cc1ccc(cc1O)C2CNCCC2 Amb25760128 [0,0,1,0,0,0|1,0,2]=4 106 B15R2.94 Clc1ccc(cc1Cl)C=2CNCCC2 Amb25743132 [0,0,1,0,0,0|2,0,0]=3 107 B15R2.94 Fc1ccc(cc1C)C2CCCNC2 Amb17401798 [0,0,1,0,0,0|1,0,2]=4 108 B15R2.94 Fc1ccc(cc1C)C2CNCCN2 Amb17235968 [0,0,1,0,0,0|2,0,1]=4 109 B15R2.94 Fc1ccc(cc1C)C2CNCCO2 Amb17336975 [0,0,1,0,0,0|2,0,1]=4 110 B15R2.94 Fc1ccc(cc1Cl)C=2CNCCC2 Amb24744095 [0,0,1,0,0,0|2,0,0]=3 111 B15R2.94 Nc1cc(ccc1Cl)C=2CCCCC2 Amb25116996 [0,0,1,0,0,0|3,0,0]=4 112 B15R2.94 Nc1ccc(cc1C)C2=CCCCC2 Amb17107096 [0,0,1,0,0,0|2,0,0]=3 113 B15R2.94 Oc1ccc(cc1F)C=2CCCCC2 Amb25081340 [0,0,1,0,0,0|3,0,0]=4 114 B15R2.94 Oc1ccc(cc1O)C=2CNCCC2 Amb18650803 [0,0,1,0,0,0|2,0,0]=3 115 B17R3.1941 C1CCC(CN1)c2ccc3c(c2)CCC3 Amb17402475 [0,0,0,0,0,1|0,0,2]=3 116 B17R3.1941 C1CCC(CN1)c2ccc3c(c2)OCO3 Amb17403031 [0,0,0,0,0,1|1,0,2]=4 117 B17R3.1941 C1CCCC(N1)c2cc3CCCc3cc2 Amb18566436 [0,0,0,0,0,1|2,0,1]=4 118 B17R3.1941 C1CCN(CC1)c2ccc3c(c2)NCC3 Amb17139887 [0,0,0,0,0,1|2,0,1]=4 119 B17R3.1941 C1CNC(CN1)c2ccc3c(c2)CCC3 Amb17237567 [0,0,0,0,0,1|1,0,1]=3 120 B17R3.1941 C1CNC(CN1)c2ccc3c(c2)OCO3 Amb10070200 [0,0,0,0,0,1|2,0,1]=4 121 B17R3.1941 C1CNC(CO1)c2ccc3c(c2)CCC3 Amb17237741 [0,0,0,0,0,1|2,0,1]=4 122 B17R3.1941 C1CNC(CS1)c2ccc3c(c2)CCC3 Amb17243987 [0,0,0,0,0,1|2,0,1]=4 123 B17R3.1941 C1COC(CN1)c2ccc3c(c2)CCC3 Amb17337989 [0,0,0,0,0,1|1,0,1]=3 124 B17R3.1941 C1NCCSC1c2cc3CCCc3cc2 Amb18570813 [0,0,0,0,0,1|1,0,1]=3 125 B17R3.1941 C1Oc2cc(ccc2O1)C3CNCCS3 Amb18069490 [0,0,0,0,0,1|2,0,1]=4 126 B17R3.1941 C1Oc2cc(ccc2O1)C=3CCCCC3 Amb22171867 [0,0,0,0,0,1|2,0,0]=3 127 B14R2.68 Brc1c[n]c(cc1)C=2CNCCC2 Amb25044201 [1,0,1,0,0,0|2,0,0]=4 128 B14R2.68 Brc1ccc(cc1)C=2CNCCC2 Amb25037222 [1,0,1,0,0,0|1,0,0]=3 129 B14R2.68 Cc1ccc(cc1)C2=CCNCC2 Amb1559810 [1,0,1,0,0,0|2,0,0]=4 130 B14R2.68 Cc1ccc(cc1)C2=CCNCC2 Amb2371514 [1,0,1,0,0,0|2,0,0]=4 131 B14R2.68 Cc1ccc(cc1)C2CCCNC2 Amb17335078 [1,0,1,0,0,0|0,0,2]=4 132 B14R2.68 Cc1ccc(cc1)C2CNCCC2 Amb21954349 [1,0,1,0,0,0|0,0,2]=4 133 B14R2.68 Cc1ccc(cc1)C2NCCNC2 Amb13881653 [1,0,1,0,0,0|1,0,1]=4 134 B14R2.68 Cc1ccc(cc1)C2OCCNC2 Amb10068840 [1,0,1,0,0,0|1,0,1]=4 135 B14R2.68 Cc1ccc(cc1)C2SCCNC2 Amb17235835 [1,0,1,0,0,0|1,0,1]=4 136 B14R2.68 Cc1ccc(cc1)[C@@H]2CNCCN2 Amb25328546 [1,0,1,0,0,0|1,0,1]=4 137 B14R2.68 Cc1ccc(cc1)[C@H]2CNCCC2 Amb24403310 [1,0,1,0,0,0|0,0,2]=4 138 B14R2.68 Clc1ccc(cc1)C=2CNCCC2 Amb24529836 [1,0,1,0,0,0|1,0,0]=3 139 B14R2.68 Fc1ccc(cc1)C=2CCCCC2 Amb25143574 [1,0,1,0,0,0|2,0,0]=4 140 B14R2.68 Fc1ccc(cc1)C=2CNCCC2 Amb25064453 [1,0,1,0,0,0|1,0,0]=3 141 B14R2.68 Nc1ccc(cc1)C2=CCCCC2 Amb17107095 [1,0,1,0,0,0|2,0,0]=4 142 B14R2.21 Cc1c[n]cc([n]1)C=2CNCCC2 Amb24693976 [1,0,1,0,0,0|2,0,0]=4 143 B14R2.21 Cc1cc([n]cc1)C=2CCCCC2 Amb25205573 [1,0,1,0,0,0|2,0,0]=4 144 B14R2.21 Cc1cc(cc[n]1)C=2CCCCC2 Amb24476465 [1,0,1,0,0,0|2,0,0]=4 145 B14R2.21 Cc1cc(cc[n]1)C=2CNCCC2 Amb25364806 [1,0,1,0,0,0|1,0,0]=3 146 B14R2.21 Cc1cc(ccc1)C2CNCCC2 Amb21954351 [1,0,1,0,0,0|0,0,2]=4 147 B14R2.21 Cc1cccc([n]1)C=2CCCCC2 Amb25822939 [1,0,1,0,0,0|2,0,0]=4 148 B14R2.21 Cc1cccc(c1)C2=CCNCC2 Amb17107108 [1,0,1,0,0,0|2,0,0]=4 149 B14R2.21 Cc1cccc(c1)C2CCCNC2 Amb10607437 [1,0,1,0,0,0|0,0,2]=4 150 B14R2.21 Cc1cccc(c1)C2CNCCS2 Amb17235834 [1,0,1,0,0,0|1,0,1]=4 151 B14R2.21 Clc1cc(ccc1)C=2CNCCC2 Amb25294996 [1,0,1,0,0,0|1,0,0]=3 152 B14R2.21 Nc1cccc(c1)C2=CCCCC2 Amb17107094 [1,0,1,0,0,0|2,0,0]=4 153 B14R2.21 Oc1cc(ccc1)C=2CNCCC2 Amb25793597 [1,0,1,0,0,0|1,0,0]=3 154 B14R2.9949 O=C(CCCl)c1cc2CCc2cc1 Amb24429075 [1,0,1,0,0,0|2,0,0]=4 155 B16R2.1 CCc1ccc(cc1)C2CN(N)CCO2 Amb18567775 [0,1,1,0,0,0|1,0,1]=4 156 B16R2.1 CCc1ccc(cc1)C2NCCN(C2)C Amb17338193 [0,1,1,0,0,0|1,0,1]=4 157 B16R2.1 CCc1ccc(cc1)C=2CCCC(=O)C2 Amb25374636 [0,1,1,0,0,0|1,0,1]=4 158 B16R2.1 CCc1ccc(cc1)C=2CCCC(Cl)C2 Amb25141844 [0,1,1,0,0,0|1,0,0]=3 159 B16R2.1 COc1ccc(cc1)C=2CCCC(Cl)C2 Amb24678697 [0,1,1,0,0,0|2,0,0]=4 160 B16R2.7 CCCc1ccc(cc1)C2CCCNC2 Amb17402801 [0,1,1,0,0,0|0,0,2]=4 161 B16R2.7 CCCc1ccc(cc1)C2CNCCS2 Amb18067805 [0,1,1,0,0,0|1,0,1]=4 162 B16R2.7 CCCc1ccc(cc1)C2NCCNC2 Amb17238254 [0,1,1,0,0,0|1,0,1]=4 163 B16R2.7 CCOc1ccc(cc1)C2CCCNC2 Amb17338374 [0,1,1,0,0,0|0,0,2]=4 164 B16R2.7 CCOc1ccc(cc1)C2NCCNC2 Amb17239056 [0,1,1,0,0,0|1,0,1]=4 165 B16R2.7 CCOc1ccc(cc1)C2SCCNC2 Amb17246303 [0,1,1,0,0,0|1,0,1]=4 166 B16R2.7 CCSc1ccc(cc1)C2CNCCC2 Amb18244764 [0,1,1,0,0,0|0,0,2]=4 167 B16R2.7 COCc1ccc(cc1)C2CNCCN2 Amb24096889 [0,1,1,0,0,0|1,0,1]=4 168 B16R2.47 CCc1ccc(cc1)C2=CCCCC2=O Amb25219822 [0,1,1,0,0,0|1,0,1]=4 169 B16R2.47 CCc1ccc(cc1)C2CNCCC2=O Amb18785333 [0,1,1,0,0,0|0,0,1]=3 170 B16R2.47 CCc1ccc(cc1)C2CNCCN2C Amb17062771 [0,1,1,0,0,0|1,0,1]=4 171 B16R2.47 CCc1ccc(cc1)N2CCCCC2=O Amb17237801 [0,1,1,0,0,0|2,0,0]=4 172 B16R2.47 COc1ccc(cc1)C2CNCCC2=O Amb18782762 [0,1,1,0,0,0|1,0,1]=4 173 B16R2.85 CC(=O)c1ccc(cc1)C=2CCCCC2 Amb25793439 [0,1,1,0,0,0|1,0,1]=4 174 B16R2.85 CC(c1ccc(cc1)C2CCCNC2)C Amb17338026 [0,1,1,0,0,0|0,0,2]=4 175 B16R2.85 CC(c1ccc(cc1)C2NCCNC2)C Amb17238252 [0,1,1,0,0,0|1,0,1]=4 176 B16R2.85 CC(c1ccc(cc1)C2SCCNC2)C Amb17245255 [0,1,1,0,0,0|1,0,1]=4 177 B16R2.13235 CCc1ccc(cc1)C2(C)CCCNC2 Amb18566783 [0,1,1,0,0,0|0,0,2]=4 178 B16R2.13235 CCc1ccc(cc1)C2(O)CCCNC2 Amb18567536 [0,1,1,0,0,0|0,0,2]=4 179 B16R2.22 CCc1cc(ccc1)C=2CCCC(Cl)C2 Amb25844769 [0,1,1,0,0,0|1,0,0]=3 180 B16R2.27 CCc1cc(c(O)cc1)C=2CCCCC2 Amb23441394 [0,1,1,0,0,0|1,0,0]=3 181 B16R2.94 CCOc1cccc(c1)C2CCCNC2 Amb17403114 [0,1,1,0,0,0|0,0,2]=4 182 B16R2.2415 COc1cc(ccc1)C2CNCCC2=O Amb18782761 [0,1,1,0,0,0|1,0,1]=4 183 B16R2.309 Cc1cc(C2CNCCC2)c(C)cc1C Amb18895110 [0,1,1,0,0,0|0,0,2]=4 184 B16R2.309 Cc1cc(C2CNCCN2)c(C)cc1C Amb18567160 [0,1,1,0,0,0|1,0,1]=4 185 B16R2.309 Cc1cc(C2CNCCO2)c(C)cc1C Amb18567526 [0,1,1,0,0,0|1,0,1]=4 186 B16R2.309 Cc1cc(C2CNCCS2)c(C)cc1C Amb18067819 [0,1,1,0,0,0|1,0,1]=4 187 B16R2.311 Cc1ccc(c(O)c1C)C=2CCCCC2 Amb23441396 [0,1,1,0,0,0|1,0,0]=3 188 B16R2.2917 CN1CCNC(C1)c2ccc(c(c2)C)C Amb17338194 [0,1,1,0,0,0|1,0,1]=4 189 B16R2.2917 Cc1cc(ccc1C)C=2CCCC(=O)C2 Amb25739895 [0,1,1,0,0,0|1,0,1]=4 190 B16R2.2917 Cc1ccc(cc1Cl)C=2CCCC(Cl)C2 Amb25244631 [0,1,1,0,0,0|2,0,0]=4 191 B16R2.2917 Cc1ccc(cc1F)C=2CCCC(Cl)C2 Amb24735558 [0,1,1,0,0,0|2,0,0]=4 192 B16R2.3269 CN1CCNCC1c2ccc(c(c2)C)C Amb17238253 [0,1,1,0,0,0|1,0,1]=4 193 B16R2.3269 Cc1cc(ccc1C)C2CNCCC2=O Amb18176798 [0,1,1,0,0,0|0,0,1]=3 194 B16R2.3269 Cc1ccc(cc1Cl)C2CNCCC2=O Amb18761577 [0,1,1,0,0,0|1,0,1]=4 195 B16R2.3269 O=C1CCCCN1c2ccc(c(c2)C)C Amb17237796 [0,1,1,0,0,0|2,0,0]=4 196 B16R2.167795 Cc1ccc(cc1C)C2(O)CNCCC2 Amb18567544 [0,1,1,0,0,0|0,0,2]=4 197 B18R3.3026 CN1CCNC(C1)c2ccc3c(c2)CCC3 Amb17340669 [0,1,0,0,0,1|1,0,1]=4 198 B18R3.3958 CN1CCNCC1c2ccc3CCOc3c2 Amb18768835 [0,1,0,0,0,1|1,0,1]=4 199 B18R3.3958 CN1CCNCC1c2ccc3c(c2)CCC3 Amb17242424 [0,1,0,0,0,1|1,0,1]=4 200 B18R3.3958 O=C1CCCCN1c2cc3CCNc3cc2 Amb18917591 [0,1,0,0,0,1|2,0,0]=4 201 B18R3.3958 O=C1CCCCN1c2ccc3CCNc3c2 Amb18255273 [0,1,0,0,0,1|2,0,0]=4 202 B18R3.3958 O=C1CCNCC1c2cc3OCOc3cc2 Amb18768171 [0,1,0,0,0,1|1,0,1]=4 203 B14R1.191 CCN\C(=N\N)\c1ccc(CC)cc1 Amb19041330 [0,0,2,0,0,0|2,0,0]=4 204 B14R1.191 CCOC(c1ccc(cc1)CC)CN Amb17606024 [0,0,2,0,0,0|1,0,1]=4 205 B14R1.191 CC\C=C(\c1ccc(cc1)CC)/C#N Amb17234213 [0,0,2,0,0,0|0,0,2]=4 206 B14R1.191 CNCC(c1ccc(cc1)CC)OC Amb17605894 [0,0,2,0,0,0|1,0,1]=4 207 B14R1.776 CCc1ccc(cc1)OCCCNC Amb22588098 [0,0,2,0,0,0|1,0,1]=4 208 B14R1.926 BrCC\C=C(\c1ccc(cc1)OC)/C Amb17264265 [0,0,2,0,0,0|2,0,0]=4 209 B14R1.926 CCNCC(=O)c1ccc(cc1)CC Amb17313910 [0,0,2,0,0,0|1,0,0]=3 210 B14R1.926 CCNCC(=O)c1ccc(cc1)OC Amb17314522 [0,0,2,0,0,0|2,0,0]=4 211 B14R1.926 CCc1ccc(cc1)C(=O)CCCN Amb18623675 [0,0,2,0,0,0|1,0,1]=4 212 B14R1.926 CCc1ccc(cc1)C(C)OCCN Amb18565356 [0,0,2,0,0,0|1,0,1]=4 213 B14R1.926 ClCC\C=C(\c1ccc(cc1)OC)/C Amb17240780 [0,0,2,0,0,0|2,0,0]=4 214 B14R1.926 NCCCN(c1ccc(cc1)CC)C Amb17059633 [0,0,2,0,0,0|1,0,1]=4 215 B14R1.926 NCC\C=C(\c1ccc(cc1)CC)/C Amb17234798 [0,0,2,0,0,0|0,0,0]=2 216 B14R1.926 NCC\C=C(\c1ccc(cc1)OC)/C Amb17235133 [0,0,2,0,0,0|1,0,0]=3 217 B14R1.228 CCc1cc(ccc1)OCCCNC Amb22588109 [0,0,2,0,0,0|1,0,1]=4 218 B14R1.934 BrCC\C=C(\c1cccc(c1)OC)/C Amb17264269 [0,0,2,0,0,0|2,0,0]=4 219 B14R1.934 CCNCC(=O)c1cccc(c1)OC Amb17314676 [0,0,2,0,0,0|2,0,0]=4 220 B14R1.934 C\C(=C\CCN)\c1cc(ccc1)C#N Amb24586116 [0,0,2,0,0,0|1,0,1]=4 221 B14R1.934 ClCC\C=C(\c1cccc(c1)OC)/C Amb17240786 [0,0,2,0,0,0|2,0,0]=4 222 B14R1.934 NCC\C=C(\c1cccc(c1)OC)/C Amb17235135 [0,0,2,0,0,0|1,0,0]=3 223 B14R1.206 CCCC(c1ccc(c(c1)C)C)CN Amb17235252 [0,0,2,0,0,0|0,0,2]=4 224 B14R1.206 CCN\C(=N\N)\c1cc(C)c(C)cc1 Amb19041327 [0,0,2,0,0,0|2,0,0]=4 225 B14R1.206 CC\C=C(\c1ccc(c(c1)C)C)/C#N Amb17234217 [0,0,2,0,0,0|0,0,2]=4 226 B14R1.206 CNCC(OC)c1cc(C)c(C)cc1 Amb18565359 [0,0,2,0,0,0|1,0,1]=4 227 B14R1.206 CNCC(c1ccc(c(c1)C)C)CC Amb17235250 [0,0,2,0,0,0|0,0,2]=4 228 B14R1.232 Cc1cc(\C=C\CCCN)ccc1C Amb18564643 [0,0,2,0,0,0|2,0,0]=4 229 B14R1.232 Cc1cc(\C=C\CCON)ccc1C Amb18564934 [0,0,2,0,0,0|2,0,0]=4 230 B14R1.941 BrCC\C=C(\c1ccc(c(c1)C)C)/C Amb17263202 [0,0,2,0,0,0|1,0,0]=3 231 B14R1.941 BrCC\C=C(\c1ccc(c(c1)C)F)/C Amb17265550 [0,0,2,0,0,0|2,0,0]=4 232 B14R1.941 CC(CCCN)c1cc(C)c(C)cc1 Amb18565034 [0,0,2,0,0,0|0,0,2]=4 233 B14R1.941 CC(OCCN)c1cc(C)c(C)cc1 Amb18565362 [0,0,2,0,0,0|1,0,1]=4 234 B14R1.941 CCNCC(=O)c1ccc(c(c1)C)F Amb17336969 [0,0,2,0,0,0|2,0,0]=4 235 B14R1.941 CCNCC(c1ccc(c(c1)C)C)O Amb17336691 [0,0,2,0,0,0|1,0,1]=4 236 B14R1.941 CNC\C=C(\C)/c1cc(C)c(C)cc1 Amb24685239 [0,0,2,0,0,0|2,0,0]=4 237 B14R1.941 Cc1cc(ccc1C)C(=O)CCCN Amb18623674 [0,0,2,0,0,0|1,0,1]=4 238 B14R1.941 Cc1cc(ccc1C)\C(\C)=C/CCBr Amb24535253 [0,0,2,0,0,0|1,0,0]=3 239 B14R1.941 Cc1cc(ccc1C)\C(\C)=C/CCCl Amb24435349 [0,0,2,0,0,0|1,0,0]=3 240 B14R1.941 Cc1cc(ccc1C)\C(\C)=C/CCN Amb24453084 [0,0,2,0,0,0|0,0,0]=2 241 B14R1.941 Cc1cc(ccc1F)\C(\C)=C/CCBr Amb25664667 [0,0,2,0,0,0|2,0,0]=4 242 B14R1.941 Cc1cc(ccc1F)\C(\C)=C/CCCl Amb24623969 [0,0,2,0,0,0|2,0,0]=4 243 B14R1.941 Cc1cc(ccc1F)\C(\C)=C/CCN Amb25820707 [0,0,2,0,0,0|1,0,0]=3 244 B14R1.941 Cc1ccc(cc1Cl)\C(\C)=C/CCBr Amb24410892 [0,0,2,0,0,0|2,0,0]=4 245 B14R1.941 Cc1ccc(cc1Cl)\C(\C)=C/CCN Amb25736876 [0,0,2,0,0,0|1,0,0]=3 246 B14R1.941 Cc1ccc(cc1F)\C(\C)=C/CCBr Amb24370812 [0,0,2,0,0,0|2,0,0]=4 247 B14R1.941 Cc1ccc(cc1F)\C(\C)=C/CCN Amb25682385 [0,0,2,0,0,0|1,0,0]=3 248 B14R1.941 Cc1ccc(cc1N)C(=O)CNCC Amb18863736 [0,0,2,0,0,0|2,0,0]=4 249 B14R1.941 ClCC\C=C(\c1ccc(c(c1)C)C)/C Amb17240152 [0,0,2,0,0,0|1,0,0]=3 250 B14R1.941 ClCC\C=C(\c1ccc(c(c1)C)F)/C Amb17241291 [0,0,2,0,0,0|2,0,0]=4 251 B14R1.941 NCCCN(c1ccc(c(c1)C)C)C Amb17059796 [0,0,2,0,0,0|1,0,1]=4 252 B14R1.941 NCC\C=C(\c1ccc(c(c1)C)C)/C Amb17234799 [0,0,2,0,0,0|0,0,0]=2 253 B14R1.941 NCC\C=C(\c1ccc(c(c1)C)F)/C Amb17235671 [0,0,2,0,0,0|1,0,0]=3 254 B14R1.941 NCC\C=C(\c1ccc(c(c1)F)F)/C Amb17236565 [0,0,2,0,0,0|2,0,0]=4 255 B16R3.2232 CCc1ccc(cc1)C23CNCC2C3 Amb24415601 [0,0,1,1,0,0|0,0,2]=4 256 B16R3.40296 Cc1ccc(cc1C)[C@@]23CNC[C@@H]2C3 Amb24594929 [0,0,1,1,0,0|0,0,2]=4 257 B14R2.1 CCc1ccc(cc1)-c2cc[nH][n]2 Amb18178013 [0,0,1,0,1,0|1,0,1]=4 258 B14R2.1 CCc1ccc(cc1)-c2ccc[nH]2 Amb24652518 [0,0,1,0,1,0|0,0,2]=4 259 B14R2.1 CCc1ccc(cc1)C2C=CCN2 Amb24439813 [0,0,1,0,1,0|0,0,2]=4 260 B14R2.1 CCc1ccc(cc1)C2CCCO2 Amb17335147 [0,0,1,0,1,0|1,0,1]=4 261 B14R2.1 CCc1ccc(cc1)C2CNCC2 Amb17104485 [0,0,1,0,1,0|0,0,1]=3 262 B14R2.1 CCc1ccc(cc1)C2CNCO2 Amb18065700 [0,0,1,0,1,0|1,0,1]=4 263 B14R2.1 CCc1ccc(cc1)C2COCC2 Amb21960826 [0,0,1,0,1,0|1,0,1]=4 264 B14R2.1 CCc1ccc(cc1)C2NCCO2 Amb17335179 [0,0,1,0,1,0|1,0,1]=4 265 B14R2.1 CCc1ccc(cc1)C=2CNCC2 Amb24492445 [0,0,1,0,1,0|0,0,0]=2 266 B14R2.1 CCc1ccc(cc1)C=2NCCN2 Amb18065542 [0,0,1,0,1,0|1,0,0]=3 267 B14R2.1 CCc1ccc(cc1)[C@H]2CCCN2 Amb24601829 [0,0,1,0,1,0|0,0,2]=4 268 B14R2.1 CCc1ccc(cc1)c2c[nH]nc2 Amb17334891 [0,0,1,0,1,0|1,0,1]=4 269 B14R2.1 CCc1ccc(cc1)c2cnc[nH]2 Amb17232893 [0,0,1,0,1,0|1,0,1]=4 270 B14R2.1 CNc1ccc(cc1)C2=NCCN2 Amb17578274 [0,0,1,0,1,0|2,0,0]=4 271 B14R2.1 CNc1ccc(cc1)C2CNCC2 Amb24725252 [0,0,1,0,1,0|1,0,1]=4 272 B14R2.1 CNc1ccc(cc1)[C@@H]2CNCC2 Amb25756711 [0,0,1,0,1,0|1,0,1]=4 273 B14R2.1 COc1ccc(c[n]1)C2=CCCN2 Amb25035274 [0,0,1,0,1,0|2,0,0]=4 274 B14R2.1 COc1ccc(cc1)C2=CCCC2 Amb1145285 [0,0,1,0,1,0|1,0,0]=3 275 B14R2.1 COc1ccc(cc1)C2=NCCC2 Amb10606646 [0,0,1,0,1,0|2,0,0]=4 276 B14R2.1 COc1ccc(cc1)C2CNCC2 Amb10064406 [0,0,1,0,1,0|1,0,1]=4 277 B14R2.1 COc1ccc(cc1)C2CNCC2 Amb10068899 [0,0,1,0,1,0|1,0,1]=4 278 B14R2.1 COc1ccc(cc1)C2CNCC2 Amb21959245 [0,0,1,0,1,0|1,0,1]=4 279 B14R2.1 COc1ccc(cc1)C=2CNCC2 Amb22059722 [0,0,1,0,1,0|1,0,0]=3 280 B14R2.1 COc1ccc(cc1)[C@@H]2CNCC2 Amb24062916 [0,0,1,0,1,0|1,0,1]=4 281 B14R2.1 COc1ccc(cc1)[C@H]2CNCC2 Amb24063160 [0,0,1,0,1,0|1,0,1]=4 282 B14R2.1 CSc1ccc(cc1)C2CNCC2 Amb18894397 [0,0,1,0,1,0|1,0,1]=4 283 B14R2.1 NCc1ccc(cc1)C=2CCCC2 Amb25728106 [0,0,1,0,1,0|1,0,0]=3 284 B14R2.1 OCc1ccc(cc1)C=2CCCC2 Amb25343727 [0,0,1,0,1,0|1,0,0]=3 285 B14R2.8 CC[n]1c[n]c(c1)C=2CNCCC2 Amb25849634 [0,0,1,0,1,0|2,0,0]=4 286 B14R2.10 CCc1cc(cc[n]1)C=2NCCN2 Amb24102827 [0,0,1,0,1,0|2,0,0]=4 287 B14R2.10 CCc1cc(ccc1)C2CCCN2 Amb24089804 [0,0,1,0,1,0|0,0,2]=4 288 B14R2.10 CCc1cc(ccc1)C2CNCC2 Amb25374086 [0,0,1,0,1,0|0,0,1]=3 289 B14R2.10 CCc1cc(ccc1)[C@H]2CNCC2 Amb25245178 [0,0,1,0,1,0|0,0,1]=3 290 B14R2.10 CNc1cc(ccc1)C2CNCC2 Amb24416170 [0,0,1,0,1,0|1,0,1]=4 291 B14R2.10 COc1cc(ccc1)C2CNCC2 Amb22234363 [0,0,1,0,1,0|1,0,1]=4 292 B14R2.10 COc1cc(ccc1)C2CNCC2 Amb22727982 [0,0,1,0,1,0|1,0,1]=4 293 B14R2.10 COc1cc(ccc1)[C@@H]2CNCC2 Amb24079626 [0,0,1,0,1,0|1,0,1]=4 294 B14R2.10 COc1cc(ccc1)[C@H]2CNCC2 Amb24093703 [0,0,1,0,1,0|1,0,1]=4 295 B14R2.10 COc1cc(ccc1)[C@H]2CNCC2 Amb25189668 [0,0,1,0,1,0|1,0,1]=4 296 B14R2.10 COc1cccc(c1)C2CNCC2 Amb17104487 [0,0,1,0,1,0|1,0,1]=4 297 B14R2.10 COc1cccc(c1)C=2CCCC2 Amb24635597 [0,0,1,0,1,0|1,0,0]=3 298 B14R2.10 COc1cccc(c1)C=2CCCN2 Amb24053771 [0,0,1,0,1,0|2,0,0]=4 299 B14R2.10 COc1cccc(c1)C=2CNCC2 Amb22157307 [0,0,1,0,1,0|1,0,0]=3 300 B14R2.10 CSc1cc(ccc1)C=2NCCN2 Amb24520906 [0,0,1,0,1,0|2,0,0]=4 301 B14R2.10 CSc1cccc(c1)C=2CCCN2 Amb25133851 [0,0,1,0,1,0|2,0,0]=4 302 B14R2.10 FCc1cc(ccc1)C2CNCC2 Amb25208146 [0,0,1,0,1,0|1,0,1]=4 303 B14R2.10 NCc1cc(ccc1)C=2CCCC2 Amb25715003 [0,0,1,0,1,0|1,0,0]=3 304 B14R2.10 NCc1cc(ccc1)C=2NCCN2 Amb25843474 [0,0,1,0,1,0|2,0,0]=4 305 B14R2.10 OCc1cc(ccc1)C=2CCCC2 Amb24496628 [0,0,1,0,1,0|1,0,0]=3 306 B14R2.14 CC[n]1[n]ccc1C=2CNCCC2 Amb25793903 [0,0,1,0,1,0|2,0,0]=4 307 B14R2.14 CC[n]1cc[n]c1C=2CNCCC2 Amb25037223 [0,0,1,0,1,0|2,0,0]=4 308 B14R2.70 Cc1cc([n]cc1N)C=2CCCC2 Amb24531835 [0,0,1,0,1,0|2,0,0]=4 309 B14R2.70 Cc1cc(c[n]c1C)C=2CNCC2 Amb25115815 [0,0,1,0,1,0|1,0,0]=3 310 B14R2.70 Cc1cc(c[n]c1N)C=2CCCC2 Amb25783345 [0,0,1,0,1,0|2,0,0]=4 311 B14R2.70 Cc1cc(ccc1Br)C2CNCC2 Amb18571845 [0,0,1,0,1,0|1,0,1]=4 312 B14R2.70 Cc1cc(ccc1C)-c2cc[nH][n]2 Amb18178012 [0,0,1,0,1,0|1,0,1]=4 313 B14R2.70 Cc1cc(ccc1C)C=2CNCC2 Amb24492444 [0,0,1,0,1,0|0,0,0]=2 314 B14R2.70 Cc1cc(ccc1C)N2CCCC2 Amb18269334 [0,0,1,0,1,0|1,0,1]=4 315 B14R2.70 Cc1cc(ccc1F)C=2CNCC2 Amb24455444 [0,0,1,0,1,0|1,0,0]=3 316 B14R2.70 Cc1cc(ccc1F)C=2NCCN2 Amb24642351 [0,0,1,0,1,0|2,0,0]=4 317 B14R2.70 Cc1cc(ccc1F)[C@H]2CNCC2 Amb25076245 [0,0,1,0,1,0|1,0,1]=4 318 B14R2.70 Cc1cc(ccc1I)[C@H]2CNCC2 Amb24641537 [0,0,1,0,1,0|1,0,1]=4 319 B14R2.70 Cc1cc(ccc1N)[C@H]2CNCC2 Amb25076196 [0,0,1,0,1,0|1,0,1]=4 320 B14R2.70 Cc1cc(ccc1O)C=2CCCC2 Amb24614233 [0,0,1,0,1,0|1,0,0]=3 321 B14R2.70 Cc1cc(ccc1O)[C@@H]2CNCC2 Amb24435509 [0,0,1,0,1,0|1,0,1]=4 322 B14R2.70 Cc1cc(ccc1O)[C@H]2CNCC2 Amb24580008 [0,0,1,0,1,0|1,0,1]=4 323 B14R2.70 Cc1ccc(cc1Br)C2CNCC2 Amb18070599 [0,0,1,0,1,0|1,0,1]=4 324 B14R2.70 Cc1ccc(cc1Br)[C@@H]2CNCC2 Amb25815958 [0,0,1,0,1,0|1,0,1]=4 325 B14R2.70 Cc1ccc(cc1C)C2CCCN2 Amb2235416 [0,0,1,0,1,0|0,0,2]=4 326 B14R2.70 Cc1ccc(cc1C)C2CCCO2 Amb17335148 [0,0,1,0,1,0|1,0,1]=4 327 B14R2.70 Cc1ccc(cc1C)C2CNCC2 Amb17335081 [0,0,1,0,1,0|0,0,1]=3 328 B14R2.70 Cc1ccc(cc1C)C2CNCO2 Amb18224567 [0,0,1,0,1,0|1,0,1]=4 329 B14R2.70 Cc1ccc(cc1C)C2NCCS2 Amb18321177 [0,0,1,0,1,0|1,0,1]=4 330 B14R2.70 Cc1ccc(cc1C)[C@@H]2CCCN2 Amb25791170 [0,0,1,0,1,0|0,0,2]=4 331 B14R2.70 Cc1ccc(cc1C)[C@H]2CNCC2 Amb25067937 [0,0,1,0,1,0|0,0,1]=3 332 B14R2.70 Cc1ccc(cc1C)c2cnc[nH]2 Amb17232895 [0,0,1,0,1,0|1,0,1]=4 333 B14R2.70 Cc1ccc(cc1Cl)C2CNCC2 Amb18565793 [0,0,1,0,1,0|1,0,1]=4 334 B14R2.70 Cc1ccc(cc1Cl)C=2CNCC2 Amb25101433 [0,0,1,0,1,0|1,0,0]=3 335 B14R2.70 Cc1ccc(cc1F)C=2CNCC2 Amb24533612 [0,0,1,0,1,0|1,0,0]=3 336 B14R2.70 Cc1ccc(cc1F)C=2NCCN2 Amb25064621 [0,0,1,0,1,0|2,0,0]=4 337 B14R2.70 Cc1ccc(cc1F)[C@@H]2CNCC2 Amb25679077 [0,0,1,0,1,0|1,0,1]=4 338 B14R2.70 Cc1ccc(cc1N)C=2CCCC2 Amb25703985 [0,0,1,0,1,0|1,0,0]=3 339 B14R2.70 Cc1ccc(cc1N)[C@@H]2CNCC2 Amb24376123 [0,0,1,0,1,0|1,0,1]=4 340 B14R2.70 Cc1ccc(cc1O)[C@@H]2CNCC2 Amb25081978 [0,0,1,0,1,0|1,0,1]=4 341 B14R2.70 Clc1cc(ccc1Cl)C=2CNCC2 Amb25311153 [0,0,1,0,1,0|2,0,0]=4 342 B14R2.70 Fc1ccc(cc1C)C2CNCC2 Amb17335338 [0,0,1,0,1,0|1,0,1]=4 343 B14R2.70 Nc1cc(ccc1Cl)C=2CCCC2 Amb25265550 [0,0,1,0,1,0|2,0,0]=4 344 B14R2.70 Nc1ccc(cc1C)C2=CCCC2 Amb17107091 [0,0,1,0,1,0|1,0,0]=3 345 B14R2.70 Nc1ccc(cc1Cl)C=2CCCC2 Amb24649856 [0,0,1,0,1,0|2,0,0]=4 346 B14R2.70 Nc1ccc(cc1F)C=2CCCC2 Amb25728105 [0,0,1,0,1,0|2,0,0]=4 347 B14R2.70 Oc1ccc(cc1F)C=2CCCC2 Amb24757233 [0,0,1,0,1,0|2,0,0]=4 348 B14R2.4514 Cc1[n]cc(C=2CNCCC2)[n]1C Amb25703499 [0,0,1,0,1,0|2,0,0]=4 349 B16R2.2 CCc1ccc(CC2CNCCN2)cc1 Amb18567151 [0,0,1,0,0,1|1,0,1]=4 350 B16R2.2 CCc1ccc(CC2CNCCO2)cc1 Amb18567416 [0,0,1,0,0,1|1,0,1]=4 351 B16R2.2 CCc1ccc(CC2CNCCS2)cc1 Amb18570795 [0,0,1,0,0,1|1,0,1]=4 352 B16R2.2 CCc1ccc(cc1)CC2CCCNC2 Amb1994074 [0,0,1,0,0,1|0,0,2]=4 353 B16R2.2 CCc1ccc(cc1)OC2CNCCC2 Amb18293409 [0,0,1,0,0,1|0,0,2]=4 354 B16R2.3080 CCc1ccc(cc1)C2CCCNCC2 Amb18566803 [0,0,1,0,0,1|0,0,2]=4 355 B16R2.3080 CCc1ccc(cc1)C2CNCCOC2 Amb18567366 [0,0,1,0,0,1|0,0,2]=4 356 B16R2.3080 CCc1ccc(cc1)C=2CCNCCC2 Amb18566427 [0,0,1,0,0,1|0,0,0]=2 357 B16R2.3080 CCc1ccc(cc1)N2CCNCCC2 Amb18286479 [0,0,1,0,0,1|1,0,1]=4 358 B16R2.3080 COc1ccc(cc1)C=2CCNCCC2 Amb18566735 [0,0,1,0,0,1|1,0,0]=3 359 B16R2.23 CCc1cc(ccc1)NC2CNCCC2 Amb24771608 [0,0,1,0,0,1|0,0,2]=4 360 B16R2.23 CCc1cc(ccc1)OC2CNCCC2 Amb21954753 [0,0,1,0,0,1|0,0,2]=4 361 B16R2.7399 COc1cccc(c1)C=2CCNCCC2 Amb18566737 [0,0,1,0,0,1|1,0,0]=3 362 B16R2.124 Cc1cc(CC2CNCCN2)ccc1C Amb18567148 [0,0,1,0,0,1|1,0,1]=4 363 B16R2.124 Cc1cc(ccc1C)NC2CNCCC2 Amb18955867 [0,0,1,0,0,1|0,0,2]=4 364 B16R2.124 Cc1ccc(CC2CNCCO2)cc1C Amb18567410 [0,0,1,0,0,1|1,0,1]=4 365 B16R2.124 Cc1ccc(CC2CNCCS2)cc1C Amb18068992 [0,0,1,0,0,1|1,0,1]=4 366 B16R2.124 Cc1ccc(cc1C)CC2CCCNC2 Amb1994088 [0,0,1,0,0,1|0,0,2]=4 367 B16R2.124 Cc1ccc(cc1C)CC2CCCNC2 Amb1994135 [0,0,1,0,0,1|0,0,2]=4 368 B16R2.124 Cc1ccc(cc1C)OC2CNCCC2 Amb18956211 [0,0,1,0,0,1|0,0,2]=4 369 B16R2.124 Cc1ccc(cc1C)OC2CNCCC2 Amb21957590 [0,0,1,0,0,1|0,0,2]=4 370 B16R2.33213 Cc1cc(ccc1F)C=2CCNCCC2 Amb18567304 [0,0,1,0,0,1|1,0,0]=3 371 B16R2.33213 Cc1ccc(cc1C)C2CCCNCC2 Amb18566807 [0,0,1,0,0,1|0,0,2]=4 372 B16R2.33213 Cc1ccc(cc1C)C=2CCNCCC2 Amb18566428 [0,0,1,0,0,1|0,0,0]=2 373 B16R2.33213 Fc1ccc(cc1F)C=2CCNCCC2 Amb18568647 [0,0,1,0,0,1|2,0,0]=4 374 B16R2.2122 BrCC\C=C(\c1ccc2c(c1)OCO2)/C Amb17273830 [0,0,1,0,0,1|2,0,0]=4 375 B16R2.2122 CC(CCCN)c1cc2CCCc2cc1 Amb18566819 [0,0,1,0,0,1|0,0,2]=4 376 B16R2.2122 CC(NCCN)c1cc2CCCc2cc1 Amb19005514 [0,0,1,0,0,1|1,0,1]=4 377 B16R2.2122 CC(NCCN)c1cc2CCOc2cc1 Amb19005547 [0,0,1,0,0,1|1,0,1]=4 378 B16R2.2122 CC(OCCN)c1cc2CCCc2cc1 Amb18567469 [0,0,1,0,0,1|1,0,1]=4 379 B16R2.2122 CCCCC(=O)c1ccc2c(c1)CCN2 Amb17121809 [0,0,1,0,0,1|2,0,0]=4 380 B16R2.2122 CCNCC(=O)c1ccc2c(c1)CCC2 Amb17314990 [0,0,1,0,0,1|1,0,0]=3 381 B16R2.2122 CCNCC(=O)c1ccc2c(c1)CCN2 Amb17315054 [0,0,1,0,0,1|1,0,0]=3 382 B16R2.2122 CCNCC(=O)c1ccc2c(c1)OCO2 Amb17338706 [0,0,1,0,0,1|2,0,0]=4 383 B16R2.2122 CCNCC(c1ccc2c(c1)CCC2)O Amb17338352 [0,0,1,0,0,1|1,0,1]=4 384 B16R2.2122 CN(CCCN)c1cc2CCCc2cc1 Amb18895280 [0,0,1,0,0,1|1,0,1]=4 385 B16R2.2122 C\C(=C\CCBr)\c1cc2CCOc2cc1 Amb24543459 [0,0,1,0,0,1|1,0,0]=3 386 B16R2.2122 C\C(=C\CCCl)\c1cc2CCCc2cc1 Amb25220294 [0,0,1,0,0,1|1,0,0]=3 387 B16R2.2122 C\C(=C\CCCl)\c1ccc2CCOc2c1 Amb25124224 [0,0,1,0,0,1|1,0,0]=3 388 B16R2.2122 ClCC\C=C(\c1ccc2c(c1)OCO2)/C Amb17246759 [0,0,1,0,0,1|2,0,0]=4 389 B16R2.2122 NCCCC(=O)c1cc2CCCc2cc1 Amb18105840 [0,0,1,0,0,1|1,0,1]=4 390 B16R2.2122 NCCCC(=O)c1cc2CCOc2cc1 Amb18141362 [0,0,1,0,0,1|1,0,1]=4 391 B16R2.2122 NCCNC(=O)c1cc2CCCc2cc1 Amb25388175 [0,0,1,0,0,1|2,0,0]=4 392 B16R2.2122 NCC\C=C(\c1ccc2c(c1)CCC2)/C Amb17237376 [0,0,1,0,0,1|0,0,0]=2 393 B16R2.2122 NCC\C=C(\c1ccc2c(c1)OCO2)/C Amb17238392 [0,0,1,0,0,1|1,0,0]=3 394 B16R2.3053 CCCC(c1ccc2c(c1)CCC2)CN Amb17237888 [0,0,1,0,0,1|0,0,2]=4 395 B16R2.3053 CC\C=C(\c1ccc2c(c1)CCC2)/C#N Amb17236635 [0,0,1,0,0,1|0,0,2]=4 396 B16R2.3053 CNCC(OC)c1cc2CCCc2cc1 Amb18567465 [0,0,1,0,0,1|1,0,1]=4 397 B16R2.3053 CNCC(c1ccc2c(c1)CCC2)CC Amb17237885 [0,0,1,0,0,1|0,0,2]=4 398 B16R2.3136 C=CCNCCc1cc2CCNc2cc1 Amb18550149 [0,0,1,0,0,1|0,0,2]=4 399 B16R2.3136 CCCNCCc1cc2CCCc2cc1 Amb18552759 [0,0,1,0,0,1|0,0,2]=4 400 B16R2.3136 CCCNCCc1ccc2NCCc2c1 Amb18050331 [0,0,1,0,0,1|0,0,2]=4 401 B16R2.3136 CNCCNCc1ccc2OCCc2c1 Amb25390963 [0,0,1,0,0,1|1,0,1]=4 402 B16R2.3136 NCCC\C=C\c1cc2CCCc2cc1 Amb18566434 [0,0,1,0,0,1|2,0,0]=4 403 B16R2.3136 NOCC\C=C\c1cc2CCCc2cc1 Amb18566739 [0,0,1,0,0,1|2,0,0]=4 404 B16R2.3136 OCCNCCc1ccc2NCCc2c1 Amb18550145 [0,0,1,0,0,1|1,0,1]=4 405 B16R3.1779 C1C=C(CN1)c2cc3CCOc3cc2 Amb25306675 [0,0,0,0,1,1|0,0,0]=2 406 B16R3.1779 C1C=C(CN1)c2ccc3CCOc3c2 Amb25708538 [0,0,0,0,1,1|0,0,0]=2 407 B16R3.1779 C1CCN(C1)c2ccc3c(c2)CCN3 Amb17139210 [0,0,0,0,1,1|1,0,1]=4 408 B16R3.1779 C1CCN(C1)c2ccc3c(c2)NCC3 Amb17139209 [0,0,0,0,1,1|1,0,1]=4 409 B16R3.1779 C1CC[C@@H](N1)c2cc3CCCc3cc2 Amb25694432 [0,0,0,0,1,1|0,0,2]=4 410 B16R3.1779 C1CC[C@H](N1)c2cc3CCCc3cc2 Amb25292206 [0,0,0,0,1,1|0,0,2]=4 411 B16R3.1779 C1CCc2ccc(cc21)C=3NCCN3 Amb25700607 [0,0,0,0,1,1|1,0,0]=3 412 B16R3.1779 C1CN=C(C1)c2ccc3c(c2)OCO3 Amb10606879 [0,0,0,0,1,1|2,0,0]=4 413 B16R3.1779 C1CNC(=N1)c2ccc3CCCc3[n]2 Amb25717941 [0,0,0,0,1,1|2,0,0]=4 414 B16R3.1779 C1CNc2cc(ccc21)N3CCCC3 Amb18820691 [0,0,0,0,1,1|1,0,1]=4 415 B16R3.1779 C1CNc2ccc(cc21)N3CCCC3 Amb18820692 [0,0,0,0,1,1|1,0,1]=4 416 B16R3.1779 C1CNc2ccc(cc21)[C@@H]3CCCN3 Amb24670892 [0,0,0,0,1,1|0,0,2]=4 417 B16R3.1779 C1CNc2ccc(cc21)[C@H]3CCCN3 Amb25076575 [0,0,0,0,1,1|0,0,2]=4 418 B16R3.1779 C1COC(C1)c2ccc3c(c2)CCC3 Amb17336017 [0,0,0,0,1,1|1,0,1]=4 419 B16R3.1779 C1COc2cc(ccc21)[C@@H]3CCCN3 Amb24608887 [0,0,0,0,1,1|0,0,2]=4 420 B16R3.1779 C1COc2ccc(cc21)C3CCCN3 Amb19077880 [0,0,0,0,1,1|0,0,2]=4 421 B16R3.1779 C1COc2ccc(cc21)C3NCCS3 Amb24444150 [0,0,0,0,1,1|1,0,1]=4 422 B16R3.1779 C1COc2ccc(cc21)[C@@H]3CCCN3 Amb24376262 [0,0,0,0,1,1|0,0,2]=4 423 B16R3.1779 C1NCC(C1)c2ccc3c(c2)CCC3 Amb17335941 [0,0,0,0,1,1|0,0,1]=3 424 B16R3.1779 C1NCC(C1)c2ccc3c(c2)OCO3 Amb17104494 [0,0,0,0,1,1|1,0,1]=4 425 B16R3.1779 C1NCC(O1)c2cc3CCCc3cc2 Amb18863455 [0,0,0,0,1,1|1,0,1]=4 426 B16R3.1779 C1NCCC1c2cc3CCOc3cc2 Amb19077873 [0,0,0,0,1,1|0,0,1]=3 427 B16R3.1779 C1NCC[C@@H]1c2ccc3CCOc3c2 Amb25267680 [0,0,0,0,1,1|0,0,1]=3 428 B16R3.1779 C1NCC[C@H]1c2cc3CCCc3cc2 Amb25817554 [0,0,0,0,1,1|0,0,1]=3 429 B16R3.1779 C1NCC[C@H]1c2cc3CCOc3cc2 Amb25230094 [0,0,0,0,1,1|0,0,1]=3 430 B16R3.1779 C1NCC[C@H]1c2ccc3CCOc3c2 Amb25844456 [0,0,0,0,1,1|0,0,1]=3 431 B16R3.1779 C1NCc2ccc(cc21)C3CCCC3 Amb25665736 [0,0,0,0,1,1|0,0,2]=4 432 B16R3.1779 C1OCc2cc(ccc21)C3CCCN3 Amb25354053 [0,0,0,0,1,1|0,0,2]=4 433 B16R3.1779 C1Oc2cc(ccc2O1)C3CNCC3 Amb19114111 [0,0,0,0,1,1|1,0,1]=4 434 B16R3.1779 C1Oc2cc(ccc2O1)C=3CCCC3 Amb25794131 [0,0,0,0,1,1|1,0,0]=3 435 B16R3.1779 C1Oc2cc(ccc2O1)C=3NCCN3 Amb18564686 [0,0,0,0,1,1|2,0,0]=4 436 B16R3.1779 C1Oc2cc(ccc2O1)[C@@H]3CNCC3 Amb25167613 [0,0,0,0,1,1|1,0,1]=4 437 B16R3.1779 c1[nH]nc(c1)c2ccc3c(c2)CCC3 Amb2432945 [0,0,0,0,1,1|1,0,1]=4 438 B16R3.1779 c1ncc([nH]1)c2ccc3c(c2)CCC3 Amb17234085 [0,0,0,0,1,1|1,0,1]=4 439 B18R3.2123 C1CCC(CN1)c2ccc3c(c2)CCCC3 Amb17404499 [0,0,0,0,0,2|0,0,2]=4 440 B18R3.2123 C1CCC(CN1)c2ccc3c(c2)OCCO3 Amb17405286 [0,0,0,0,0,2|0,0,2]=4 441 B18R3.2123 C1CNC(CN1)c2ccc3c(c2)CCCC3 Amb17242422 [0,0,0,0,0,2|1,0,1]=4 442 B18R3.2123 C1CNC(CN1)c2ccc3c(c2)OCCO3 Amb17244317 [0,0,0,0,0,2|1,0,1]=4 443 B18R3.2123 C1COC(CN1)c2ccc3c(c2)CCCC3 Amb17340885 [0,0,0,0,0,2|1,0,1]=4 444 B18R3.2123 C1NCCCC1c2cc3CCCOc3cc2 Amb18244709 [0,0,0,0,0,2|0,0,2]=4 445 B18R3.2123 C1NCCSC1c2cc3CCCCc3cc2 Amb18070810 [0,0,0,0,0,2|1,0,1]=4 446 B18R3.2123 C1NCCSC1c2cc3OCCOc3cc2 Amb18071232 [0,0,0,0,0,2|1,0,1]=4 447 B18R3.10316 C1CC(CCCN1)c2cc3CCCc3cc2 Amb18067023 [0,0,0,0,0,2|0,0,2]=4 448 B18R3.10316 C1CNCCC(=C1)c2cc3CCCc3cc2 Amb18569631 [0,0,0,0,0,2|0,0,0]=2 449 B18R3.10316 C1Oc2ccc(cc2O1)C=3CCNCCC3 Amb18570112 [0,0,0,0,0,2|1,0,0]=3 450 B18R3.12792 C(C1CNCCC1)c2cc3CCOc3cc2 Amb18141360 [0,0,0,0,0,2|0,0,2]=4 451 B18R3.12792 C1CCC(CN1)Cc2ccc3c(c2)CCC3 Amb17195209 [0,0,0,0,0,2|0,0,2]=4 452 B18R3.12792 C1NCCCC1Oc2cc3CCCc3cc2 Amb21954947 [0,0,0,0,0,2|0,0,2]=4