0 B17R3.8707 c1cc(C2CCNCC2)c3ncsc3n1 Amb18168150 [0,0,0,0,0,0|4,0,0]=4 1 B17R3.8707 c1cc(N2CCNCC2)c3ncoc3c1 Amb17570908 [0,0,0,0,0,0|4,0,0]=4 2 B17R3.8707 c1cc(N2CCNCC2)c3ncsc3c1 Amb17571746 [0,0,0,0,0,0|4,0,0]=4 3 B17R3.8707 c1cc(N2CCNCC2)c3sccc3n1 Amb25389573 [0,0,0,0,0,0|4,0,0]=4 4 B17R3.8707 c1cc(N2CCNCC2)c3sccc3n1 Amb32645917 [0,0,0,0,0,0|4,0,0]=4 5 B17R3.8707 c1cc(N2CCNCC2)n3ncnc3n1 Amb29848021 [0,0,0,0,0,0|3,0,1]=4 6 B17R3.8707 c1cc2ccsc2c(N3CCNCC3)n1 Amb18560454 [0,0,0,0,0,0|4,0,0]=4 7 B17R3.8707 c1cc2ncnn2c(N3CCNCC3)n1 Amb29848018 [0,0,0,0,0,0|3,0,1]=4 8 B17R3.8707 c1cc2occc2c(N3CCNCC3)n1 Amb2724962 [0,0,0,0,0,0|4,0,0]=4 9 B17R3.8707 c1cc2occc2c(N3CCOCC3)n1 Amb28469367 [0,0,0,0,0,0|3,0,0]=3 10 B17R3.8707 c1cc2sccc2c(N3CCNCC3)n1 Amb32653315 [0,0,0,0,0,0|4,0,0]=4 11 B17R3.8707 c1cc2sccc2c(N3CCNCC3)n1 Amb33531680 [0,0,0,0,0,0|4,0,0]=4 12 B17R3.8707 c1nc(N2CCNCC2)c3ccsc3n1 Amb33526517 [0,0,0,0,0,0|3,0,0]=3 13 B17R3.8707 c1nc(N2CCNCC2)c3sccc3n1 Amb2690354 [0,0,0,0,0,0|3,0,0]=3 14 B17R3.8707 c1nc2c(c(N3CCCCC3)n1)CCN2 Amb32656485 [0,0,0,0,0,0|2,0,1]=3 15 B17R3.8707 c1nc2c(c(N3CCOCC3)n1)CCN2 Amb32656386 [0,0,0,0,0,0|1,0,1]=2 16 B17R3.8707 c1nc2c(c(N3CCSCC3)n1)CCC2 Amb31195249 [0,0,0,0,0,0|2,1,1]=4 17 B18R3.1 Cc1csc2c(N3CCNCC3)ncnc12 Amb17671933 [0,1,0,0,0,0|3,0,0]=4 18 B18R3.1 Cn1cnc2c(C3CCCNC3)ncnc21 Amb18170546 [0,1,0,0,0,0|3,0,0]=4 19 B18R3.1 Cn1cnc2c(C3CCNCC3)ncnc21 Amb18170552 [0,1,0,0,0,0|2,0,0]=3 20 B18R3.1 Cn1cnc2c(N3CCNCC3)cccc21 Amb18770176 [0,1,0,0,0,0|3,0,0]=4 21 B18R3.1 Cn1cnc2c(N3CCSCC3)ncnc21 Amb33609914 [0,1,0,0,0,0|0,1,0]=2 22 B18R3.1 Cn1ncc2c(N3CCNCC3)ncnc21 Amb269753 [0,1,0,0,0,0|3,0,0]=4 23 B18R3.1 Cn1ncc2c(N3CCOCC3)ncnc21 Amb2738758 [0,1,0,0,0,0|2,0,0]=3 24 B18R3.1 Cn1ncc2c(N3CCSCC3)ncnc21 Amb11430265 [0,1,0,0,0,0|2,1,0]=4 25 B18R3.1 Cn1nnc2c(N3CCNCC3)ncnc21 Amb31198245 [0,1,0,0,0,0|2,0,0]=3 26 B18R3.1 Cn1nnc2c(N3CCNCC3)ncnc21 Amb9174212 [0,1,0,0,0,0|2,0,0]=3 27 B18R3.174 Brc1cn2ccnc2c(N3CCOCC3)n1 Amb20671304 [0,1,0,0,0,0|3,0,0]=4 28 B18R3.174 Cc1nc(N2CCCCC2)c3ccsc3n1 Amb1541958 [0,1,0,0,0,0|3,0,0]=4 29 B18R3.174 Clc1cc(N2CCOCC2)c3sccc3n1 Amb32683345 [0,1,0,0,0,0|3,0,0]=4 30 B18R3.174 Clc1nc(N2CCCCC2)c3sccc3n1 Amb32419317 [0,1,0,0,0,0|3,0,0]=4 31 B18R3.174 Clc1nc(N2CCNCC2)c3sccc3n1 Amb32421915 [0,1,0,0,0,0|3,0,0]=4 32 B18R3.174 Clc1nc(N2CCOCC2)c3cccn3n1 Amb30869344 [0,1,0,0,0,0|3,0,0]=4 33 B18R3.174 Clc1nc(N2CCOCC2)c3ccsc3n1 Amb19958297 [0,1,0,0,0,0|2,0,0]=3 34 B18R3.174 Clc1nc(N2CCOCC2)c3ncsc3n1 Amb22728588 [0,1,0,0,0,0|1,0,0]=2 35 B18R3.174 Clc1nc(N2CCOCC2)c3sccc3n1 Amb19957523 [0,1,0,0,0,0|2,0,0]=3 36 B18R3.174 Clc1nc(N2CCOCC2)c3scnc3n1 Amb22495689 [0,1,0,0,0,0|1,0,1]=3 37 B18R3.174 Clc1nc(N2CCSCC2)c3sccc3n1 Amb32419318 [0,1,0,0,0,0|2,1,0]=4 38 B18R3.174 Clc1nc2c(c(N3CCOCC3)n1)CCC2 Amb32415809 [0,1,0,0,0,0|2,0,1]=4 39 B18R3.174 Nc1nc(N2CCOCC2)c3ccsc3n1 Amb32660922 [0,1,0,0,0,0|2,0,0]=3 40 B18R3.213 Cc1cc2c(N3CCNCC3)ncnc2s1 Amb7101628 [0,1,0,0,0,0|3,0,0]=4 41 B18R3.213 O=C1Nc2ncnc(C3CCNCC3)c2N1 Amb18767882 [0,1,0,0,0,0|2,0,1]=4 42 B18R3.8788 CC1CCN(c2ncnc3sccc23)CC1 Amb1158542 [0,1,0,0,0,0|3,0,0]=4 43 B18R3.51480 Cc1csc2ncnc(N3CCNCC3)c12 Amb10067992 [0,1,0,0,0,0|3,0,0]=4 44 B18R3.51480 Cn1cnc2ncnc(N3CCNCC3)c21 Amb32430128 [0,1,0,0,0,0|1,0,2]=4 45 B16R2.2602 CCc1c(Cl)ncnc1N2CCOCC2 Amb28144291 [0,0,1,0,0,0|2,0,1]=4 46 B16R2.2602 COc1c(N)ncnc1N2CCOCC2 Amb31189578 [0,0,1,0,0,0|1,0,1]=3 47 B16R2.2602 O=Cc1c(Cl)ncnc1N2CCOCC2 Amb841874 [0,0,1,0,0,0|3,0,0]=4 48 B16R3.5924 c1cc(N2CCCC2)c3ccoc3n1 Amb28130001 [0,0,0,0,1,0|3,0,0]=4 49 B16R3.5924 c1cc(N2CCCC2)c3occc3n1 Amb27185997 [0,0,0,0,1,0|3,0,0]=4 50 B16R3.5924 c1cc2ccsc2c(N3CCCC3)n1 Amb27236660 [0,0,0,0,1,0|3,0,0]=4 51 B16R3.5924 c1cc2occc2c(N3CCCC3)n1 Amb27984324 [0,0,0,0,1,0|3,0,0]=4 52 B16R3.5924 c1cc2sccc2c(N3CCCC3)n1 Amb28142857 [0,0,0,0,1,0|3,0,0]=4 53 B16R3.5924 c1nc(N2CCCC2)c3sccc3n1 Amb26512448 [0,0,0,0,1,0|2,0,0]=3 54 B16R3.5924 c1nc(N2CCCN2)c3ncsc3n1 Amb28073425 [0,0,0,0,1,0|2,0,0]=3 55 B16R3.5924 c1nc2c(c(N3CCCC3)n1)CCC2 Amb28142858 [0,0,0,0,1,0|2,0,1]=4 56 B18R3.2108 c1cc(N2CCOCC2)c3cnccc3c1 Amb18356023 [0,0,0,0,0,1|3,0,0]=4 57 B18R3.2108 c1cc2c(N3CCSCC3)ncnc2cn1 Amb33609962 [0,0,0,0,0,1|1,1,1]=4 58 B18R3.2108 c1ccc2c(N3CCCCC3)ncnc2c1 Amb1304650 [0,0,0,0,0,1|3,0,0]=4 59 B18R3.2108 c1ccc2c(N3CCNCC3)ncnc2c1 Amb22737030 [0,0,0,0,0,1|3,0,0]=4 60 B18R3.2108 c1ccc2c(N3CCNCC3)ncnc2c1 Amb2901998 [0,0,0,0,0,1|3,0,0]=4 61 B18R3.2108 c1ccc2c(N3CCOCC3)ncnc2c1 Amb626488 [0,0,0,0,0,1|2,0,0]=3 62 B18R3.2108 c1cnc2c(N3CCNCC3)ncnc2n1 Amb17340537 [0,0,0,0,0,1|1,0,1]=3 63 B18R3.2108 c1cnc2c(N3CCOCC3)cccc2c1 Amb18269593 [0,0,0,0,0,1|3,0,0]=4 64 B18R3.2108 c1cnc2ncnc(N3CCNCC3)c2c1 Amb18560540 [0,0,0,0,0,1|2,0,1]=4 65 B18R3.2108 c1cnc2ncnc(N3CCNCC3)c2c1 Amb33618549 [0,0,0,0,0,1|2,0,1]=4 66 B18R3.2108 c1nc2c(c(N3CCOCC3)n1)CNCC2 Amb19352978 [0,0,0,0,0,1|1,0,2]=4 67 B18R3.1440748 c1nc(N2CCCCCC2)c3ccsc3n1 Amb1161585 [0,0,0,0,0,1|3,0,0]=4 68 B18R3.1440748 c1nc(N2CCCNCC2)c3ccsc3n1 Amb2686705 [0,0,0,0,0,1|3,0,0]=4 69 B18R3.1440748 c1nc(N2CCCOCC2)c3sccc3n1 Amb15259096 [0,0,0,0,0,1|2,0,0]=3 70 B15R2.17 CNc1cc(N2CCOCC2)ccn1 Amb27259203 [1,0,1,0,0,0|1,0,1]=4 71 B15R2.17 CNc1ccnc(N2CCOCC2)c1 Amb27755307 [1,0,1,0,0,0|1,0,1]=4 72 B15R2.17 NNc1cc(N2CCCCC2)ncn1 Amb20092939 [1,0,1,0,0,0|1,0,1]=4 73 B15R2.17 NNc1cc(N2CCNCC2)ncn1 Amb27852359 [1,0,1,0,0,0|1,0,1]=4 74 B15R2.17 NNc1cc(N2CCOCC2)ccn1 Amb27868251 [1,0,1,0,0,0|1,0,1]=4 75 B15R2.17 NNc1cc(N2CCOCC2)ncn1 Amb8496627 [1,0,1,0,0,0|0,0,1]=3 76 B15R2.17 NNc1cc(N2CCSCC2)ncn1 Amb28346257 [1,0,1,0,0,0|0,1,1]=4 77 B15R2.17 NNc1ncnc(N2CCOCC2)n1 Amb27956857 [1,0,1,0,0,0|1,0,1]=4 78 B15R2.17 O=Cc1ccnc(N2CCOCC2)c1 Amb2723747 [1,0,1,0,0,0|2,0,0]=4 79 B15R2.17 OCc1cc(N2CCOCC2)ncn1 Amb27971022 [1,0,1,0,0,0|1,0,1]=4 80 B15R2.32 Cc1c(F)ncnc1N2CCOCC2 Amb35581558 [1,0,1,0,0,0|1,0,1]=4 81 B15R2.32 Cc1c(N)ncnc1N2CCCCC2 Amb27182103 [1,0,1,0,0,0|1,0,1]=4 82 B15R2.32 Cc1c(N)ncnc1N2CCNCC2 Amb27668427 [1,0,1,0,0,0|1,0,1]=4 83 B15R2.32 Cc1ncnc(N2CCOCC2)c1C Amb28468725 [1,0,1,0,0,0|1,0,1]=4 84 B15R2.32 Clc1ncnc(N2CCOCC2)c1Br Amb22900051 [1,0,1,0,0,0|2,0,0]=4 85 B15R2.32 Clc1ncnc(N2CCOCC2)c1Cl Amb27207330 [1,0,1,0,0,0|2,0,0]=4 86 B15R2.32 Fc1ncnc(N2CCOCC2)c1Br Amb35712732 [1,0,1,0,0,0|2,0,0]=4 87 B15R2.32 Nc1c(Cl)ncnc1N2CCOCC2 Amb2722108 [1,0,1,0,0,0|1,0,1]=4 88 B15R2.32 Nc1c(F)ncnc1N2CCOCC2 Amb30021650 [1,0,1,0,0,0|1,0,1]=4 89 B15R2.32 Nc1c(O)ncnc1N2CCOCC2 Amb3066189 [1,0,1,0,0,0|1,0,1]=4 90 B15R2.32 Nc1ccnc(N2CCOCC2)c1Br Amb24320161 [1,0,1,0,0,0|2,0,0]=4 91 B15R2.32 Nc1nccc(N2CCOCC2)c1Br Amb24319906 [1,0,1,0,0,0|2,0,0]=4 92 B15R2.32 Nc1ncnc(N2CCNCC2)c1F Amb28130048 [1,0,1,0,0,0|2,0,0]=4 93 B15R2.32 Nc1ncnc(N2CCOCC2)c1Cl Amb27847376 [1,0,1,0,0,0|1,0,0]=3 94 B15R2.32 Nc1ncnc(N2CCOCC2)c1N Amb2632322 [1,0,1,0,0,0|0,0,1]=3 95 B15R2.32 Nc1ncnc(N2CCSCC2)c1Cl Amb24348571 [1,0,1,0,0,0|1,1,0]=4 96 B15R2.32 [NH3+]c1c(Cl)ncnc1N2CCOCC2 Amb16230419 [1,0,1,0,0,0|1,0,1]=4 97 B15R2.21 ClCc1cncnc1N2CCOCC2 Amb27403360 [1,0,1,0,0,0|1,0,1]=4 98 B15R2.21 N#Cc1cncnc1N2CCOCC2 Amb25252776 [1,0,1,0,0,0|0,0,2]=4 99 B15R2.21 NCc1cccnc1N2CCOCC2 Amb1135271 [1,0,1,0,0,0|1,0,1]=4 100 B15R2.21 NCc1cccnc1N2CCOCC2 Amb6760602 [1,0,1,0,0,0|1,0,1]=4 101 B15R2.21 NCc1cncnc1C2CCOCC2 Amb25739628 [1,0,1,0,0,0|1,0,1]=4 102 B15R2.21 NCc1cncnc1N2CCSCC2 Amb27595022 [1,0,1,0,0,0|0,1,1]=4 103 B15R2.21 O=Cc1cccnc1N2CCOCC2 Amb2608542 [1,0,1,0,0,0|2,0,0]=4 104 B15R2.21 O=Cc1cccnc1N2CCOCC2 Amb6760610 [1,0,1,0,0,0|2,0,0]=4 105 B15R2.21 O=Cc1cnccc1N2CCOCC2 Amb27945928 [1,0,1,0,0,0|2,0,0]=4 106 B15R2.4278 CCCCNc1ncnc2ocnc12 Amb27394078 [1,0,1,0,0,0|1,0,0]=3 107 B15R2.4278 COCCNc1ncnc2ccsc12 Amb8994928 [1,0,1,0,0,0|2,0,0]=4 108 B15R2.4278 CSCCNc1ncnc2scnc12 Amb27985139 [1,0,1,0,0,0|1,1,0]=4 109 B15R2.17340 CN(CCBr)c1ncnc2scnc12 Amb27650749 [1,0,1,0,0,0|2,0,0]=4 110 B15R2.17340 CN(CCN)c1ncnc2scnc12 Amb27455345 [1,0,1,0,0,0|2,0,0]=4 111 B15R2.17340 CN(CCO)c1ncnc2ccsc12 Amb144299 [1,0,1,0,0,0|2,0,0]=4 112 B15R2.17340 CN(CCO)c1ncnc2sccc12 Amb29344 [1,0,1,0,0,0|2,0,0]=4 113 B15R2.15972 CCN(CC)c1ncnc2c1CCN2 Amb32656562 [1,0,1,0,0,0|1,0,1]=4 114 B15R2.15972 CCN(CC)c1ncnc2ccsc12 Amb2738683 [1,0,1,0,0,0|2,0,0]=4 115 B15R2.15972 CCN(CC)c1ncnc2scnc12 Amb27955430 [1,0,1,0,0,0|1,0,0]=3 116 B17R2.5291 Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] Amb1308476 [0,1,1,0,0,0|1,0,1]=4 117 B17R3.3 Cn1cnc2c(C3CCNC3)ncnc21 Amb18176815 [0,1,0,0,1,0|2,0,0]=4 118 B17R3.3 Cn1nnc2c(N3CCCC3)ncnc21 Amb5452970 [0,1,0,0,1,0|1,0,0]=3 119 B17R3.104 Clc1nc(N2CCCC2)c3sccc3n1 Amb28363793 [0,1,0,0,1,0|2,0,0]=4 120 B17R3.17527 ClC1CCN(c2ncnc3scnc23)C1 Amb27758116 [0,1,0,0,1,0|1,0,0]=3 121 B17R3.17527 O=C1CCN(c2ncnc3scnc23)C1 Amb28057418 [0,1,0,0,1,0|1,0,1]=4 122 B17R3.17527 OC1CCN(c2ncnc3sccc23)C1 Amb31201989 [0,1,0,0,1,0|2,0,0]=4 123 B19R3.294 Clc1nc(N2CCOCC2)c3ccccc3n1 Amb485710 [0,1,0,0,0,1|2,0,0]=4 124 B19R3.294 Clc1nc2c(c(N3CCCCC3)n1)NC=CN2 Amb19747532 [0,1,0,0,0,1|1,0,1]=4 125 B19R3.4066 Brc1ccc2ncnc(N3CCOCC3)c2c1 Amb1290204 [0,1,0,0,0,1|2,0,0]=4 126 B19R3.2 CCn1nnc2c(N3CCNCC3)ncnc21 Amb28991125 [0,2,0,0,0,0|2,0,0]=4 127 B19R3.2 CCn1nnc2c(N3CCNCC3)ncnc21 Amb9175226 [0,2,0,0,0,0|2,0,0]=4 128 B19R3.5829 Cc1csc2c(N3CCOCC3)nc(Cl)nc12 Amb22497328 [0,2,0,0,0,0|2,0,0]=4 129 B19R3.5829 Clc1nc(N2CCOCC2)c3scc(Br)c3n1 Amb24063212 [0,2,0,0,0,0|2,0,0]=4 130 B19R3.5829 Cn1cnc2c(N3CCOCC3)nc(Cl)nc21 Amb22728362 [0,2,0,0,0,0|0,0,0]=2 131 B19R3.5829 Cn1ncc2c(N3CCOCC3)nc(Cl)nc21 Amb8130489 [0,2,0,0,0,0|2,0,0]=4 132 B19R3.5829 Cn1nnc2c(N3CCCCC3)nc(N)nc21 Amb29845071 [0,2,0,0,0,0|2,0,0]=4 133 B19R3.5829 Cn1nnc2c(N3CCNCC3)nc(N)nc21 Amb29845075 [0,2,0,0,0,0|2,0,0]=4 134 B19R3.5829 Cn1nnc2c(N3CCOCC3)nc(N)nc21 Amb29845073 [0,2,0,0,0,0|1,0,0]=3 135 B19R3.6006 Cn1cc(Br)c2c(N3CCCCC3)ncnc21 Amb31123809 [0,2,0,0,0,0|2,0,0]=4 136 B19R3.6006 Cn1cc(Br)c2c(N3CCOCC3)ncnc21 Amb31123944 [0,2,0,0,0,0|1,0,0]=3 137 B19R3.6006 Cn1nc(Br)c2c(N3CCOCC3)ncnc21 Amb31163963 [0,2,0,0,0,0|2,0,0]=4 138 B19R3.6006 Cn1nc(N)c2c(N3CCOCC3)ncnc21 Amb17040296 [0,2,0,0,0,0|2,0,0]=4 139 B19R3.2145874 C=C1CCCN(c2ncnc3c2ncn3C)C1 Amb31199767 [0,2,0,0,0,0|1,0,1]=4 140 B19R3.328 Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1 Amb33623281 [0,2,0,0,0,0|2,0,0]=4 141 B19R4.1389728 c1nc(N2CC3CC2CO3)c4ccsc4n1 Amb31201733 [0,1,0,1,0,0|2,0,0]=4 142 B19R4.1389728 c1nc(N2CC3CC2CO3)c4sccc4n1 Amb28470944 [0,1,0,1,0,0|2,0,0]=4 143 B15R2.19 Cc1c(NN)ncnc1N2CCCC2 Amb27883504 [0,0,1,0,1,0|2,0,0]=4 144 B15R3.6952 c1nc(N2CCC2)c3ccsc3n1 Amb2600336 [0,0,0,0,2,0|2,0,0]=4 145 B17R2.163534 CCN(CCO)c1ncnc2ncccc12 Amb16890588 [0,0,1,0,0,1|1,0,1]=4