0 B16R2.2829 CC(CC1CCC(=O)C1)c2ccccc2 Amb24594664 [0,0,0,0,0,0|3,0,0]=3 1 B16R2.2829 CC(CN1CC(N)CC1)c2ccccc2 Amb25387914 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.2829 CC(CN1CCC(=O)C1)c2ccccc2 Amb24455303 [0,0,0,0,0,0|4,0,0]=4 3 B16R2.2829 CC(CN1C[C@@H](N)CC1)c2ccccc2 Amb24783823 [0,0,0,0,0,0|3,0,1]=4 4 B16R2.2829 CC(CN1C[C@H](N)CC1)c2ccccc2 Amb24783822 [0,0,0,0,0,0|3,0,1]=4 5 B16R2.2829 CC(C[n]1cc(N)c[n]1)c2ccccc2 Amb19890569 [0,0,0,0,0,0|4,0,0]=4 6 B16R2.2829 CC(C[n]1ccc(N)[n]1)c2ccccc2 Amb20674793 [0,0,0,0,0,0|2,0,1]=3 7 B15R2.283 NC1=NC(CCc2c[n]ccc2)CS1 Amb24393487 [1,0,0,0,0,0|1,1,0]=3 8 B15R2.283 NC1=NC(CCc2ccccc2)CO1 Amb25376590 [1,0,0,0,0,0|0,0,0]=1 9 B15R2.283 NC1=NC(CNc2ccccc2)CO1 Amb25804113 [1,0,0,0,0,0|1,0,0]=2 10 B15R2.283 NC1=NCC(COc2ccccc2)O1 Amb24652587 [1,0,0,0,0,0|3,0,0]=4 11 B15R2.283 NC1=NCC(CSc2ccccc2)S1 Amb24348684 [1,0,0,0,0,0|3,0,0]=4 12 B15R2.283 NC1=NCC(O1)CSc2ccccc2 Amb17595588 [1,0,0,0,0,0|3,0,0]=4 13 B15R2.283 NC1=N[C@@H](CNc2ccccc2)CO1 Amb25814903 [1,0,0,0,0,0|1,0,0]=2 14 B15R2.283 NC1=N[C@H](CCc2cc[n]cc2)CS1 Amb25709723 [1,0,0,0,0,0|1,1,0]=3 15 B15R2.283 NC1CC(CC1)CCc2ccccc2 Amb25756853 [1,0,0,0,0,0|2,0,1]=4 16 B15R2.283 Nc1[nH]nc(n1)CCc2ccccc2 Amb10607718 [1,0,0,0,0,0|2,0,1]=4 17 B15R2.283 Nc1[n][n](CCc2ccccc2)[n][n]1 Amb25664160 [1,0,0,0,0,0|3,0,0]=4 18 B15R2.283 Nc1[n][n](CCc2ccccc2)c[n]1 Amb19747703 [1,0,0,0,0,0|2,0,1]=4 19 B15R2.283 Nc1[n][s]c(CCc2ccccc2)[n]1 Amb25103913 [1,0,0,0,0,0|2,0,1]=4 20 B15R2.283 Nc1[n]c(CCc2ccccc2)[n][s]1 Amb18292122 [1,0,0,0,0,0|1,1,1]=4 21 B15R2.283 Nc1[n]c(CCc2ccccc2)[n]o1 Amb18991331 [1,0,0,0,0,0|1,0,1]=3 22 B15R2.283 Nc1[n]c(CCc2ccccc2)c[s]1 Amb22477663 [1,0,0,0,0,0|0,1,2]=4 23 B15R2.283 Nc1[n]c(COc2ccccc2)[n]o1 Amb18995138 [1,0,0,0,0,0|2,0,1]=4 24 B15R2.283 Nc1[n]oc(CCc2ccccc2)[n]1 Amb24083478 [1,0,0,0,0,0|2,0,1]=4 25 B15R2.283 Nc1c[n+](CCc2ccccc2)[n]o1 Amb19650266 [1,0,0,0,0,0|3,0,0]=4 26 B15R2.283 Nc1n[nH]c(CCc2ccccc2)n1 Amb17915081 [1,0,0,0,0,0|2,0,1]=4 27 B15R2.283 Nc1n[nH]c(n1)CCc2ccccc2 Amb15740860 [1,0,0,0,0,0|2,0,1]=4 28 B15R2.283 Nc1nc(CCc2ccccc2)cs1 Amb17943401 [1,0,0,0,0,0|0,1,2]=4 29 B15R2.283 Nc1scc(n1)CCc2ccccc2 Amb17238165 [1,0,0,0,0,0|0,1,2]=4 30 B15R2.283 O=C1CC(CO1)NCc2ccccc2 Amb24563385 [1,0,0,0,0,0|3,0,0]=4 31 B15R2.283 O=C1C[C@H](CO1)NCc2ccccc2 Amb25233437 [1,0,0,0,0,0|3,0,0]=4 32 B15R2.283 O=C1NC(CCc2ccccc2)CO1 Amb25217512 [1,0,0,0,0,0|1,0,1]=3 33 B15R2.283 O=C1NC(CO1)OCc2ccccc2 Amb25108221 [1,0,0,0,0,0|2,0,1]=4 34 B15R2.283 O=C1N[C@@H](CCc2ccccc2)CO1 Amb24336441 [1,0,0,0,0,0|1,0,1]=3 35 B15R2.283 O=C1OC(CO1)COc2ccccc2 Amb22446931 [1,0,0,0,0,0|3,0,0]=4 36 B15R2.1259 CC(CC1C=CCN1)c2ccccc2 Amb25273815 [1,0,0,0,0,0|3,0,0]=4 37 B15R2.1259 CC(CC1CCNC1)c2ccccc2 Amb21959203 [1,0,0,0,0,0|2,0,1]=4 38 B15R2.1259 CN(CC1CN=CN1)c2ccccc2 Amb24709323 [1,0,0,0,0,0|2,0,1]=4 39 B15R2.1259 CN(c1ccccc1)CC2COCC2 Amb10562187 [1,0,0,0,0,0|2,0,1]=4 40 B15R2.1259 C[C@@H](NC1CCOC1)c2ccccc2 Amb25696300 [1,0,0,0,0,0|2,0,1]=4 41 B15R2.1259 ClC(CC1CCC=C1)c2ccccc2 Amb24759088 [1,0,0,0,0,0|3,0,0]=4 42 B15R2.1259 NC(CC1CCOC1)c2ccccc2 Amb18995894 [1,0,0,0,0,0|2,0,1]=4 43 B17R2.2519 CN(Cc1[n]oc(CN)[n]1)c2ccccc2 Amb24781890 [0,1,0,0,0,0|2,0,1]=4 44 B17R2.3346 Cc1cc(N)[n][n]1CC(C)c2ccccc2 Amb19890466 [0,1,0,0,0,0|2,0,1]=4 45 B15R1.959 COC(=O)CCCC(O)c1ccccc1 Amb18627401 [0,0,1,0,0,0|3,0,0]=4 46 B15R1.959 COC(=O)CCNC(C)c1ccccc1 Amb22586709 [0,0,1,0,0,0|3,0,0]=4 47 B15R1.1076 CC(c1ccccc1)NC(CC(=O)N)C Amb17239029 [0,0,1,0,0,0|2,0,1]=4 48 B15R2.297 CC(C1CN=C(N)N1)c2ccccc2 Amb24561590 [0,0,0,0,1,0|1,0,1]=3 49 B15R2.297 CC(C1CN=C(N)O1)c2ccccc2 Amb25069782 [0,0,0,0,1,0|2,0,0]=3 50 B15R2.297 CC(C1CNC(=O)C1)c2ccccc2 Amb25067874 [0,0,0,0,1,0|3,0,0]=4 51 B15R2.297 CC(C1CNC(=O)O1)c2ccccc2 Amb25037772 [0,0,0,0,1,0|3,0,0]=4 52 B15R2.297 CC(C1CNC(=S)N1)c2ccccc2 Amb24391381 [0,0,0,0,1,0|2,0,1]=4 53 B15R2.297 CC(C1COC(C)O1)c2ccccc2 Amb24065758 [0,0,0,0,1,0|2,0,1]=4 54 B15R2.297 CC(c1ccccc1)[n]2c[n]c(N)[n]2 Amb25224994 [0,0,0,0,1,0|2,0,1]=4 55 B15R2.297 CC(c1ccccc1)[n]2ccc(N)[n]2 Amb20669072 [0,0,0,0,1,0|2,0,1]=4 56 B15R2.297 CN(c1[n]oc(N)[n]1)c2ccccc2 Amb18650465 [0,0,0,0,1,0|2,0,1]=4 57 B15R2.297 NC(C1COC(=O)N1)c2ccccc2 Amb24347364 [0,0,0,0,1,0|2,0,1]=4 58 B15R2.297 Nc1[n]c([n]o1)C(O)c2ccccc2 Amb18650746 [0,0,0,0,1,0|2,0,1]=4 59 B15R2.297 O=C1O[C@@H](CO1)[C@@H](Cl)c2ccccc2 Amb25317255 [0,0,0,0,1,0|3,0,0]=4 60 B15R2.297 O=C1O[C@@H](CO1)[C@H](Cl)c2ccccc2 Amb24672562 [0,0,0,0,1,0|3,0,0]=4 61 B15R2.297 OC(C1COC(=O)C1)c2ccccc2 Amb25803001 [0,0,0,0,1,0|3,0,0]=4 62 B15R2.297 OC(C1COC(=O)N1)c2ccccc2 Amb24418449 [0,0,0,0,1,0|2,0,1]=4 63 B15R2.297 OC(C1COC(=O)O1)c2ccccc2 Amb24718649 [0,0,0,0,1,0|3,0,0]=4 64 B15R2.297 O[C@H]([C@@H]1COC(=O)N1)c2ccccc2 Amb24513124 [0,0,0,0,1,0|2,0,1]=4 65 B15R2.297 O[C@H]([C@H]1COC(=O)C1)c2ccccc2 Amb24719808 [0,0,0,0,1,0|3,0,0]=4 66 B15R2.297 O[C@H]([C@H]1COC(=O)O1)c2ccccc2 Amb25215369 [0,0,0,0,1,0|3,0,0]=4 67 B15R2.612 CC(CC1CC(=O)N1)c2ccccc2 Amb25728531 [0,0,0,0,1,0|1,0,1]=3 68 B17R2.3229 CN(Cc1ccccc1)CC2CN=C(N)O2 Amb25290268 [0,0,0,0,0,1|3,0,0]=4 69 B17R2.3241 CC(NCc1c[s]c(N)[n]1)c2ccccc2 Amb18870015 [0,0,0,0,0,1|0,1,2]=4 70 B14R1.422 NC(=N)NCCNCc1ccccc1 Amb24415456 [1,0,1,0,0,0|2,0,0]=4 71 B14R1.422 NC(=N)NNCCCc1ccccc1 Amb24064219 [1,0,1,0,0,0|2,0,0]=4 72 B14R1.422 NC(=N)SCCCOc1ccccc1 Amb20675993 [1,0,1,0,0,0|1,1,0]=4 73 B14R1.422 NC(=N)SCCOCc1ccccc1 Amb24377364 [1,0,1,0,0,0|1,1,0]=4 74 B14R1.420 CC(CCCC(O)=O)c1ccccc1 Amb17844447 [1,0,1,0,0,0|2,0,0]=4 75 B14R1.420 CC(c1ccccc1)CCSC(=N)N Amb16205284 [1,0,1,0,0,0|2,0,0]=4 76 B14R1.420 CC(c1ccccc1)CCSC(=N)N Amb1926876 [1,0,1,0,0,0|2,0,0]=4 77 B14R1.818 CC(CCc1ccccc1)NC(N)=N Amb19073485 [1,0,1,0,0,0|1,0,1]=4 78 B14R1.818 CC(CCc1ccccc1)NC(N)=O Amb19078987 [1,0,1,0,0,0|0,0,2]=4 79 B16R2.2334 NCc1[n]c(CCc2ccccc2)[n]o1 Amb24770969 [1,1,0,0,0,0|1,0,1]=4 80 B18R2.3366 CC(CC1CN=C(N)N1CC)c2ccccc2 Amb24034875 [0,2,0,0,0,0|1,0,1]=4 81 B16R2.141 COC(=O)N1CCC(C1)c2ccccc2 Amb10941164 [0,0,1,1,0,0|1,0,1]=4 82 B16R2.1168 CN\C(\N)=N\C1CC(C1)c2ccccc2 Amb25504558 [0,0,1,1,0,0|1,0,0]=3 83 B16R2.34325 CN\C(\N)=N\C1CC1(F)c2ccccc2 Amb25655779 [0,0,1,1,0,0|2,0,0]=4 84 B16R2.27697 CC1(CC(C1)NC(N)=N)c2ccccc2 Amb24841593 [0,0,1,1,0,0|1,0,1]=4 85 B16R3.335 NC1=NC2CCc3ccccc3C2O1 Amb24336485 [1,0,0,1,0,0|0,0,0]=2 86 B16R3.335 NC1=N[C@@H]2CCc3ccccc3[C@H]2O1 Amb24655038 [1,0,0,1,0,0|0,0,0]=2 87 B16R3.335 NC=1CC2C(CCc3ccccc32)N1 Amb24428116 [1,0,0,1,0,0|1,0,0]=3 88 B16R3.335 O=C1NC2CCc3ccccc3C2O1 Amb25166159 [1,0,0,1,0,0|1,0,1]=4 89 B16R3.335 O=C1N[C@H]2CCc3ccccc3[C@@H]2O1 Amb24562298 [1,0,0,1,0,0|1,0,1]=4 90 B16R3.335 [C@@H]12CC(=O)O[C@H]1c3ccccc3CC2 Amb17778863 [1,0,0,1,0,0|2,0,0]=4 91 B16R3.335 [C@H]12CC(=O)O[C@H]1c3ccccc3CC2 Amb17778862 [1,0,0,1,0,0|2,0,0]=4 92 B16R3.10764 NC1=NCC2(CCc3ccccc23)O1 Amb25185696 [1,0,0,1,0,0|2,0,0]=4 93 B16R3.231 NC1CC(C1)CC2Cc3ccccc32 Amb25666568 [0,0,0,1,1,0|1,0,1]=4 94 B16R3.2303 O=C1NC2CC(CC12)c3ccccc3 Amb25709624 [0,0,0,1,1,0|1,0,1]=4 95 B16R3.2303 O=C1N[C@H]2C[C@H](C[C@@H]12)c3ccccc3 Amb25326670 [0,0,0,1,1,0|1,0,1]=4 96 B16R3.182603 CC1CC2(CC(=O)N2)c3ccccc31 Amb25791727 [0,0,0,1,1,0|1,0,1]=4 97 B16R3.202411 CC1CC2C(CC2=O)c3ccccc31 Amb25135742 [0,0,0,1,1,0|2,0,0]=4 98 B16R3.202411 CC1CC2C(N)CC2c3ccccc31 Amb25226110 [0,0,0,1,1,0|1,0,1]=4 99 B14R1.163 COC(=O)CCC(N)c1ccccc1 Amb19373309 [0,0,1,0,1,0|2,0,0]=4 100 B14R1.163 COC(=O)CCC(c1ccccc1)N Amb10610596 [0,0,1,0,1,0|2,0,0]=4 101 B14R1.415 CC(C(=O)N)CN(c1ccccc1)C Amb17235455 [0,0,1,0,1,0|1,0,1]=4 102 B14R1.415 CC(C(=O)O)CN(c1ccccc1)C Amb17336619 [0,0,1,0,1,0|2,0,0]=4 103 B14R1.415 CC(C[C@@H](N)C(O)=O)c1ccccc1 Amb17933184 [0,0,1,0,1,0|2,0,0]=4 104 B14R1.415 CC(NC(C)c1ccccc1)C(O)=O Amb24271459 [0,0,1,0,1,0|2,0,0]=4 105 B14R1.415 CC(c1ccccc1)SC(C(=O)O)C Amb17501620 [0,0,1,0,1,0|2,0,0]=4 106 B14R2.19 NC1=NC(Cc2cc[n]cc2)CS1 Amb24488817 [1,0,0,0,1,0|1,1,0]=4 107 B14R2.19 NC1=NC(Cc2ccccc2)CO1 Amb23449444 [1,0,0,0,1,0|0,0,0]=2 108 B14R2.19 NC1=N[C@H](Cc2c[n]ccc2)CS1 Amb25670320 [1,0,0,0,1,0|1,1,0]=4 109 B14R2.19 NC1=N[C@H](Cc2cc[n]cc2)CS1 Amb25364144 [1,0,0,0,1,0|1,1,0]=4 110 B14R2.19 NC1=N[C@H](Cc2ccccc2)CS1 Amb25729987 [1,0,0,0,1,0|0,1,0]=3 111 B14R2.19 NC=1NCC(N1)Oc2ccccc2 Amb24396134 [1,0,0,0,1,0|2,0,0]=4 112 B14R2.19 Nc1[n]c(Cc2ccccc2)[n]o1 Amb18961686 [1,0,0,0,1,0|1,0,1]=4 113 B14R2.19 Nc1[n]c(Cc2ccccc2)co1 Amb22499416 [1,0,0,0,1,0|0,0,2]=4 114 B14R2.31 NC1CCC1CCc2ccccc2 Amb25757178 [1,0,0,0,1,0|1,0,1]=4 115 B14R2.31 O=C1CCC1CCc2ccccc2 Amb24492658 [1,0,0,0,1,0|2,0,0]=4 116 B14R2.31 O=C1CC[C@H]1CCc2ccccc2 Amb24364139 [1,0,0,0,1,0|2,0,0]=4 117 B14R2.794 CC(CC1CCN1)c2ccccc2 Amb25356580 [1,0,0,0,1,0|0,0,2]=4 118 B14R2.794 CC(CC1CNC1)c2ccccc2 Amb24572490 [1,0,0,0,1,0|1,0,1]=4 119 B14R2.794 CN(CC1COC1)c2ccccc2 Amb24430794 [1,0,0,0,1,0|1,0,1]=4 120 B16R1.609 NC(=N)NCCCCN(c1ccccc1)C Amb15764697 [0,0,1,0,0,1|2,0,0]=4 121 B16R1.610 CN(Cc1ccccc1)CCCNC(=N)N Amb11198584 [0,0,1,0,0,1|2,0,0]=4 122 B16R1.610 CN(Cc1ccccc1)CCCNC(N)=N Amb24186971 [0,0,1,0,0,1|2,0,0]=4 123 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 Amb25103672 [1,0,0,0,0,1|1,0,1]=4 124 B16R2.2832 O=C1OCC(O1)COCc2ccccc2 Amb10071643 [1,0,0,0,0,1|2,0,0]=4