0 B15R2.17700 C#CCN[C@H]1CCc2nc(N)sc2C1 Amb27588232 [0,0,0,0,0,0|0,0,2]=2 1 B15R2.17700 CCCCN1CCc2nc(N)sc2C1 Amb17042326 [0,0,0,0,0,0|2,0,0]=2 2 B15R2.17700 CCCNC1CCc2nc(C)cn2C1 Amb28400393 [0,0,0,0,0,0|3,0,0]=3 3 B15R2.17700 CCCNC1CCc2nc(C)nn2C1 Amb28184827 [0,0,0,0,0,0|3,0,0]=3 4 B15R2.17700 CCCNC1CCc2nc(N)sc2C1 Amb17619486 [0,0,0,0,0,0|0,0,0]=0 5 B15R2.17700 CCCNC1CCc2nc(N)sc2C1 Amb32666026 [0,0,0,0,0,0|0,0,0]=0 6 B15R2.17700 CCCNC1CCc2nc(O)sc2C1 Amb28204110 [0,0,0,0,0,0|1,0,0]=1 7 B15R2.17700 CCCN[C@@H]1CCc2nc(N)sc2C1 Amb833916 [0,0,0,0,0,0|0,0,0]=0 8 B15R2.17700 CCCN[C@H]1CCc2nc(N)sc2C1 Amb17942958 [0,0,0,0,0,0|0,0,0]=0 9 B15R2.17700 CCCN[C@H]1CCc2nc(N)sc2C1 Amb32409702 [0,0,0,0,0,0|0,0,0]=0 10 B15R2.17700 CCCN[C@H]1CCc2nc(N)sc2C1 Amb8390637 [0,0,0,0,0,0|0,0,0]=0 11 B15R2.17700 CCCN[C@H]1CCc2nc(N)sc2C1 Amb8628251 [0,0,0,0,0,0|0,0,0]=0 12 B15R2.17700 COCCC1CCn2nc(N)nc2C1 Amb33190526 [0,0,0,0,0,0|4,0,0]=4 13 B15R2.17700 COCCN1CCc2nc(N)sc2C1 Amb27810941 [0,0,0,0,0,0|3,0,0]=3 14 B15R2.17700 Cc1nc2c(s1)CN(CCCN)CC2 Amb17309839 [0,0,0,0,0,0|4,0,0]=4 15 B15R2.17700 N#CCCN1CCc2nc(N)sc2C1 Amb17042373 [0,0,0,0,0,0|3,0,1]=4 16 B14R2.991 CCCNC1CCc2ncsc2C1 Amb27642429 [1,0,0,0,0,0|0,0,0]=1 17 B14R2.991 CCCNC1CCc2ncsc2C1 Amb32405241 [1,0,0,0,0,0|0,0,0]=1 18 B14R2.991 CCCNC1CCn2nccc2C1 Amb27165173 [1,0,0,0,0,0|2,0,0]=3 19 B14R2.991 CSCCN1CCc2ncsc2C1 Amb27769508 [1,0,0,0,0,0|3,0,0]=4 20 B14R2.991 NCCCN1CCc2ncsc2C1 Amb17307519 [1,0,0,0,0,0|3,0,0]=4 21 B14R2.991 OCCCN1CCc2ncsc2C1 Amb28045514 [1,0,0,0,0,0|3,0,0]=4 22 B14R2.6400 C=CCN1CCc2nc(N)sc2C1 Amb17042335 [1,0,0,0,0,0|1,0,2]=4 23 B14R2.6400 CCCC1CCC2=C(C1)NC(=S)N2 Amb27484233 [1,0,0,0,0,0|2,0,1]=4 24 B14R2.6400 CCCC1CCC2=C(C1)SC(=O)N2 Amb19054686 [1,0,0,0,0,0|1,0,1]=3 25 B14R2.6400 CCCC1CCc2nc(Cl)sc2C1 Amb13953088 [1,0,0,0,0,0|1,0,0]=2 26 B14R2.6400 CCCC1CCc2nc(N)sc2C1 Amb13952041 [1,0,0,0,0,0|0,0,0]=1 27 B14R2.6400 CCCN1CCc2nc(C)sc2C1 Amb27976598 [1,0,0,0,0,0|2,0,0]=3 28 B14R2.6400 CCCN1CCc2nc(Cl)sc2C1 Amb28073731 [1,0,0,0,0,0|2,0,0]=3 29 B14R2.6400 CCCN1CCc2nc(N)sc2C1 Amb1131725 [1,0,0,0,0,0|1,0,0]=2 30 B14R2.6400 CCNC1CCc2nc(N)sc2C1 Amb26580436 [1,0,0,0,0,0|0,0,0]=1 31 B14R2.6400 CCN[C@H]1CCc2nc(N)sc2C1 Amb27459944 [1,0,0,0,0,0|0,0,0]=1 32 B14R2.6400 Cc1nc2c(s1)CN(CCN)CC2 Amb17309861 [1,0,0,0,0,0|3,0,0]=4 33 B14R2.6400 N#CCN1CCc2nc(N)sc2C1 Amb17042372 [1,0,0,0,0,0|2,0,1]=4 34 B14R2.6400 O=CNC1CCc2nc(Cl)sc2C1 Amb27850612 [1,0,0,0,0,0|2,0,1]=4 35 B16R2.4322 Cc1nc2c(s1)CN(CCCCN)CC2 Amb17309886 [0,1,0,0,0,0|3,0,0]=4 36 B16R2.29707 CCCC(=O)N1CCc2nc(N)sc2C1 Amb17042274 [0,1,0,0,0,0|2,0,0]=3 37 B16R2.29707 CCOC(=O)C1CCc2nc(N)sc2C1 Amb20670206 [0,1,0,0,0,0|2,0,0]=3 38 B16R2.29707 CCOC(=O)C1CCc2nc(N)sc2C1 Amb28990975 [0,1,0,0,0,0|2,0,0]=3 39 B16R2.29707 CCOC(=O)N1CCc2nc(N)sc2C1 Amb18659801 [0,1,0,0,0,0|3,0,0]=4 40 B16R2.29707 CNCC(=O)N1CCc2nc(N)sc2C1 Amb31173479 [0,1,0,0,0,0|3,0,0]=4 41 B16R2.29707 NCCC(=O)N1CCc2nc(N)sc2C1 Amb31173475 [0,1,0,0,0,0|3,0,0]=4 42 B16R2.176344 CCC(=O)NC1CCc2nc(N)sc2C1 Amb19887621 [0,1,0,0,0,0|0,0,1]=2 43 B16R2.176344 CCC(=O)N[C@@H]1CCc2nc(N)sc2C1 Amb19888462 [0,1,0,0,0,0|0,0,1]=2 44 B16R2.176344 CCC(=O)N[C@H]1CCc2nc(N)sc2C1 Amb8628986 [0,1,0,0,0,0|0,0,1]=2 45 B16R2.176344 Cc1nc2c(s1)CC(NC(=O)CN)CC2 Amb31159913 [0,1,0,0,0,0|2,0,1]=4 46 B14R1.155 CCCNC(=O)NCc1csc(N)n1 Amb32722692 [0,0,1,0,0,0|2,0,1]=4 47 B14R1.466 CCCCC(CC)Cn1cnc(N)c1 Amb33037758 [0,0,1,0,0,0|3,0,0]=4 48 B14R1.466 CCCCC(CC)Cn1cnc(N)n1 Amb19065160 [0,0,1,0,0,0|3,0,0]=4 49 B14R1.3126 CCCCCCCc1nc(Br)sc1Br Amb24101739 [0,0,1,0,0,0|3,0,0]=4 50 B14R1.3126 CCCCCCCn1nc(N)cc1C Amb19890598 [0,0,1,0,0,0|3,0,0]=4 51 B16R3.335 Nc1nc2c(s1)CC[C@@H]3NCCC[C@@H]23 Amb27446568 [0,0,0,1,0,0|2,0,0]=3 52 B16R3.335 Nc1nc2n(n1)CCC3CCCCC23 Amb33190534 [0,0,0,1,0,0|3,0,0]=4 53 B16R3.2273 Nc1nc2c(s1)CC3CCCCC3C2 Amb28120561 [0,0,0,1,0,0|1,0,0]=2 54 B16R3.2273 Nc1nc2c(s1)CC3NCCCC3C2 Amb27264846 [0,0,0,1,0,0|0,0,0]=1 55 B16R3.3325 Brc1nc2c(o1)CC(C3CCC3)CC2 Amb35669455 [0,0,0,1,0,0|2,1,0]=4 56 B16R3.3325 Brc1nc2c(s1)CC(C3CCC3)CC2 Amb35669454 [0,0,0,1,0,0|2,0,0]=3 57 B16R3.3325 Cc1nc2c(s1)CC(C3CCC3)CC2 Amb35669458 [0,0,0,1,0,0|2,0,0]=3 58 B16R3.3325 Ic1nc2c(o1)CC(C3CCC3)CC2 Amb35669456 [0,0,0,1,0,0|2,1,0]=4 59 B16R3.3325 Nc1nc2c(o1)CC(C3CCC3)CC2 Amb35676093 [0,0,0,1,0,0|1,1,0]=3 60 B16R3.3325 Nc1nc2c(s1)CC(C3CCC3)CC2 Amb35669452 [0,0,0,1,0,0|1,0,0]=2 61 B16R3.3325 Sc1nc2c(o1)CC(C3CCC3)CC2 Amb35661880 [0,0,0,1,0,0|2,1,0]=4 62 B16R3.3325 Sc1nc2c(s1)CC(C3CCC3)CC2 Amb35661879 [0,0,0,1,0,0|2,0,0]=3 63 B16R3.206774 Clc1nc2c(s1)CC3(CC2)OCCO3 Amb26863739 [0,0,0,1,0,0|3,0,0]=4 64 B16R3.206774 Clc1nc2c(s1)CC3(CCCC3)CC2 Amb28348072 [0,0,0,1,0,0|2,0,0]=3 65 B16R3.206774 Nc1nc2c(s1)CC3(CC2)OCCO3 Amb26326595 [0,0,0,1,0,0|2,0,0]=3 66 B16R3.206774 Nc1nc2c(s1)CC3(CCCC3)CC2 Amb27602779 [0,0,0,1,0,0|1,0,0]=2 67 B16R3.206774 Sc1nc2c(s1)CC3(CCCC3)CC2 Amb27961112 [0,0,0,1,0,0|2,0,0]=3 68 B14R2.859 CCCNC1CCc2sc(Br)cc21 Amb28283642 [0,0,0,0,1,0|3,0,0]=4 69 B14R2.10527 CCCCN1Cc2nc(N)sc2C1 Amb17519155 [0,0,0,0,1,0|2,0,0]=3 70 B13R1.41 CCNC(=O)CCc1csc(N)n1 Amb9175371 [1,0,1,0,0,0|1,0,1]=4 71 B13R1.137 CCCNCCn1ccnc1CC Amb18179184 [1,0,1,0,0,0|2,0,0]=4 72 B13R1.190 CCCCCCn1nc(N)cc1C Amb19890885 [1,0,1,0,0,0|2,0,0]=4 73 B13R1.372 CCCCC(CC)Cc1cccs1 Amb22493861 [1,0,1,0,0,0|2,0,0]=4 74 B13R2.449 CCCC1CCc2ncsc2C1 Amb27832329 [2,0,0,0,0,0|0,0,0]=2 75 B13R2.449 CCCN1CCc2ncsc2C1 Amb27785407 [2,0,0,0,0,0|1,0,0]=3 76 B13R2.449 NCCC1CCc2ccsc2C1 Amb18823931 [2,0,0,0,0,0|2,0,0]=4 77 B13R2.449 NCCC1CCc2ncoc2C1 Amb18827606 [2,0,0,0,0,0|1,1,0]=4 78 B13R2.449 NCCC1CCc2ncsc2C1 Amb18823494 [2,0,0,0,0,0|1,0,0]=3 79 B13R2.449 NCCC1CCc2nnsc2C1 Amb18823090 [2,0,0,0,0,0|2,0,0]=4 80 B13R2.449 NCCN1CCc2ncsc2C1 Amb17307520 [2,0,0,0,0,0|2,0,0]=4 81 B13R2.2121 CCC1CCC2=C(C1)SC(=O)N2 Amb19074485 [2,0,0,0,0,0|1,0,1]=4 82 B13R2.2121 CCC1CCc2nc(Br)sc2C1 Amb27162497 [2,0,0,0,0,0|1,0,0]=3 83 B13R2.2121 CCC1CCc2nc(Cl)sc2C1 Amb13953086 [2,0,0,0,0,0|1,0,0]=3 84 B13R2.2121 CCC1CCc2nc(N)nn2C1 Amb33190533 [2,0,0,0,0,0|2,0,0]=4 85 B13R2.2121 CCC1CCc2nc(N)sc2C1 Amb1129058 [2,0,0,0,0,0|0,0,0]=2 86 B13R2.2121 CCC1CCc2nc(N)sc2C1 Amb33548708 [2,0,0,0,0,0|0,0,0]=2 87 B13R2.2121 CCN1CCc2nc(C)sc2C1 Amb27850965 [2,0,0,0,0,0|2,0,0]=4 88 B13R2.2121 CCN1CCc2nc(Cl)sc2C1 Amb28435080 [2,0,0,0,0,0|2,0,0]=4 89 B13R2.2121 CCN1CCc2nc(N)sc2C1 Amb1106830 [2,0,0,0,0,0|1,0,0]=3 90 B13R2.2121 CCN1CCc2nc(S)sc2C1 Amb27836936 [2,0,0,0,0,0|2,0,0]=4 91 B13R2.2121 CNC1CCc2nc(C)sc2C1 Amb18065075 [2,0,0,0,0,0|1,0,0]=3 92 B13R2.2121 CNC1CCc2nc(Cl)sc2C1 Amb27628360 [2,0,0,0,0,0|1,0,0]=3 93 B13R2.2121 Cc1nc2c(s1)CC(CN)CC2 Amb18063160 [2,0,0,0,0,0|2,0,0]=4 94 B15R2.2123 CCCCNC1CCc2ncsc2C1 Amb24086347 [1,1,0,0,0,0|0,0,0]=2 95 B15R2.2123 CCCCNC1CCc2ncsc2C1 Amb24086358 [1,1,0,0,0,0|0,0,0]=2 96 B15R2.2123 NCCCCN1CCc2ncsc2C1 Amb17307521 [1,1,0,0,0,0|2,0,0]=4 97 B15R2.7688 CC(C)CNC1CCc2nccn2C1 Amb27437118 [1,1,0,0,0,0|2,0,0]=4 98 B15R2.926 C=C(C)CN1CCc2nc(N)sc2C1 Amb17042336 [1,1,0,0,0,0|1,0,1]=4 99 B15R2.926 CC(=O)NC1CCc2nc(N)sc2C1 Amb15695312 [1,1,0,0,0,0|0,0,1]=3 100 B15R2.926 CC(=O)NC1CCc2nc(N)sc2C1 Amb32409400 [1,1,0,0,0,0|0,0,1]=3 101 B15R2.926 CC(C)CN1CCc2nc(N)sc2C1 Amb17042327 [1,1,0,0,0,0|1,0,0]=3 102 B15R2.926 CC(C)CN1CCc2nc(S)sc2C1 Amb27835187 [1,1,0,0,0,0|2,0,0]=4 103 B15R2.926 CC(C)NC1CCc2nc(N)sc2C1 Amb26424314 [1,1,0,0,0,0|0,0,0]=2 104 B15R2.16675 CCCC1CCc2nc(C=O)sc2C1 Amb28453585 [1,1,0,0,0,0|1,0,0]=3 105 B15R2.16675 CCCC1CCc2nc(CC)sc2C1 Amb28453597 [1,1,0,0,0,0|1,0,0]=3 106 B15R2.16675 CCCC1CCc2nc(CN)sc2C1 Amb18969857 [1,1,0,0,0,0|0,0,0]=2 107 B15R2.16675 CCCN1CCc2nc(C=O)sc2C1 Amb27834529 [1,1,0,0,0,0|2,0,0]=4 108 B15R2.16675 CCCN1CCc2nc(CO)sc2C1 Amb27451776 [1,1,0,0,0,0|2,0,0]=4 109 B15R2.19280 CCC(=O)N1CCc2nc(N)sc2C1 Amb17042273 [1,1,0,0,0,0|1,0,1]=4 110 B15R2.19280 CCC(C)N1CCc2nc(N)sc2C1 Amb17042328 [1,1,0,0,0,0|1,0,0]=3 111 B15R2.19280 COC(=O)C1CCc2nc(N)sc2C1 Amb22497851 [1,1,0,0,0,0|1,0,1]=4 112 B15R2.4885 CCCCCN1Cc2nc(N)sc2C1 Amb17519209 [0,1,0,0,1,0|2,0,0]=4 113 B15R2.17378 CCCC(=O)N1Cc2nc(N)sc2C1 Amb17519057 [0,1,0,0,1,0|2,0,0]=4 114 B17R2.4857 CC(C)CC(=O)N1CCc2nc(N)sc2C1 Amb17042278 [0,2,0,0,0,0|2,0,0]=4 115 B17R2.74598 CCCCC(=O)N1CCc2nc(N)sc2C1 Amb17042277 [0,2,0,0,0,0|2,0,0]=4 116 B17R2.74598 CNCCC(=O)N1CCc2nc(N)sc2C1 Amb31173480 [0,2,0,0,0,0|2,0,0]=4 117 B17R2.74598 NCCCC(=O)N1CCc2nc(N)sc2C1 Amb31173478 [0,2,0,0,0,0|2,0,0]=4 118 B17R2.75079 CNCC(=O)NC1CCc2nc(C)sc2C1 Amb31159915 [0,2,0,0,0,0|1,0,1]=4 119 B17R2.75079 Cc1nc2c(s1)CC(NC(=O)CCN)CC2 Amb31159914 [0,2,0,0,0,0|1,0,1]=4 120 B17R2.84224 CCCS(=O)(=O)N1CCc2nc(N)sc2C1 Amb17042316 [0,2,0,0,0,0|2,0,0]=4 121 B15R2.283 Cc1cc(CCC2CCCCN2)cs1 Amb27187015 [0,0,1,1,0,0|2,0,0]=4 122 B15R2.283 Nc1nc(CNC2CCCCC2)cs1 Amb18866277 [0,0,1,1,0,0|2,0,0]=4 123 B15R2.283 Nc1nc(CSC2CCCCC2)cs1 Amb18289427 [0,0,1,1,0,0|2,0,0]=4 124 B15R2.16 CCc1nc(N)cn1C2CCCNC2 Amb24322673 [0,0,1,1,0,0|2,0,0]=4 125 B15R2.1289 C=CCN1CCc2nc(N)sc2CC1 Amb17577200 [0,0,1,1,0,0|0,0,2]=4 126 B15R2.1289 C=CCN1CCc2nc(N)sc2CC1 Amb17609383 [0,0,1,1,0,0|0,0,2]=4 127 B15R2.98 CC1CCC(Cc2cnc(N)s2)CC1 Amb27404731 [0,0,1,1,0,0|1,0,0]=3 128 B15R2.98 CC1CCN(Cc2cnc(N)s2)CC1 Amb17490469 [0,0,1,1,0,0|2,0,0]=4 129 B15R2.2189 CCC1CCCCC1c2cnc(N)s2 Amb27182471 [0,0,1,1,0,0|1,0,0]=3 130 B15R2.2189 COC1CCCCC1c2cnc(N)s2 Amb27865100 [0,0,1,1,0,0|2,0,0]=4 131 B15R2.2236 CCC1CCN(Cc2cnc(N)s2)C1 Amb28409452 [0,0,1,1,0,0|2,0,0]=4 132 B15R2.6962 Brc1ccc(CC2CCCCCN2)s1 Amb27746796 [0,0,1,1,0,0|2,0,0]=4 133 B15R2.6962 Cc1nnc(CC2CCCCCN2)s1 Amb35667875 [0,0,1,1,0,0|2,0,0]=4 134 B15R2.6962 Nc1ncc(CN2CCCCCC2)s1 Amb17490448 [0,0,1,1,0,0|2,0,0]=4 135 B15R2.26522 CCC1(Cc2ccc(Cl)s2)CCCN1 Amb27830505 [0,0,1,1,0,0|2,0,0]=4 136 B15R2.26522 CCC1(Cc2nnc(C)s2)CCCN1 Amb30037846 [0,0,1,1,0,0|2,0,0]=4 137 B15R2.26522 COC1(Cc2cnc(N)s2)CCCC1 Amb35727116 [0,0,1,1,0,0|2,0,0]=4 138 B15R2.1453 CCCNC1CCCc2sc(N)nc21 Amb27772132 [0,0,1,1,0,0|0,0,2]=4 139 B15R2.325 Cc1cc(CC2CCCNC2)c(C)s1 Amb33456582 [0,0,1,1,0,0|2,0,0]=4 140 B15R2.557 Cc1cc(C2CCNCC2C)c(C)s1 Amb27455755 [0,0,1,1,0,0|2,0,0]=4 141 B15R3.1957 c1nc2c(s1)CC(C3CCC3)CC2 Amb35669457 [1,0,0,1,0,0|1,0,0]=3 142 B15R3.1957 c1nc2c(s1)CN(C3CCC3)CC2 Amb28128611 [1,0,0,1,0,0|2,0,0]=4 143 B15R3.4379 c1nc2c(s1)CN(CC3CC3)CC2 Amb27809970 [1,0,0,1,0,0|2,0,0]=4 144 B15R3.530 Brc1nc2c(s1)CN(C3CC3)CC2 Amb24455430 [1,0,0,1,0,0|2,0,0]=4 145 B15R3.530 Nc1nc2c(s1)CN(C3CC3)CC2 Amb28242804 [1,0,0,1,0,0|1,0,0]=3 146 B15R3.530 Nc1nc2n(n1)CCC(C3CC3)C2 Amb33190536 [1,0,0,1,0,0|2,0,0]=4 147 B17R3.458965 Nc1nc2c(s1)CC3(CCCCC3)CC2 Amb32662983 [0,1,0,1,0,0|1,0,0]=3 148 B17R3.458965 Nc1nc2c(s1)CC3(CCCCC3)CC2 Amb32663011 [0,1,0,1,0,0|1,0,0]=3 149 B17R3.458965 Nc1nc2c(s1)CC3(CCOCC3)CC2 Amb28594180 [0,1,0,1,0,0|1,0,0]=3 150 B17R3.50057 Nc1nc2c(s1)CN(C(=O)C3CC3)CC2 Amb17042276 [0,1,0,1,0,0|2,0,0]=4 151 B17R3.637709 CNc1nc2c(s1)CC3(CC2)OCCO3 Amb27977086 [0,1,0,1,0,0|2,0,0]=4 152 B13R1.25 CCCCC(CC)c1nnc(N)s1 Amb17659051 [0,0,1,0,1,0|2,0,0]=4 153 B13R2.259 CNCC1CCc2nc(N)oc21 Amb27795295 [1,0,0,0,1,0|1,1,0]=4 154 B13R2.4515 CCCN1Cc2nc(N)sc2C1 Amb17519207 [1,0,0,0,1,0|1,0,0]=3 155 B15R2.1282 CCCC1CCC2=NNC(=O)C=C2C1 Amb19074068 [1,0,0,0,0,1|2,0,0]=4 156 B15R2.1282 CCOC1CCc2nnc(N)cc2C1 Amb29879804 [1,0,0,0,0,1|2,0,0]=4 157 B15R2.10252 CCCC1CCc2cc(N)ncc2C1 Amb32756451 [1,0,0,0,0,1|2,0,0]=4 158 B15R2.10252 CCCC1CCc2nc(Cl)ncc2C1 Amb27433627 [1,0,0,0,0,1|2,0,0]=4 159 B15R2.10252 CCCC1CCc2nc(N)ncc2C1 Amb27590856 [1,0,0,0,0,1|1,0,0]=3 160 B15R2.10252 CCCN1CCc2nc(N)ncc2C1 Amb20414022 [1,0,0,0,0,1|2,0,0]=4 161 B15R2.10252 CCOC1CCc2nc(N)ncc2C1 Amb35608923 [1,0,0,0,0,1|2,0,0]=4