0 B16R2.258 Cc1cccc(CCc2cc(N)on2)c1 Amb17237459 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.258 Cc1cccc(CCc2csc(N)n2)c1 Amb17243353 [0,0,0,0,0,0|1,1,2]=4 2 B16R2.258 Cc1nc(CCc2cccc(Br)c2)no1 Amb18884753 [0,0,0,0,0,0|2,1,1]=4 3 B16R2.258 Cc1nc(CCc2cccc(N)c2)no1 Amb18864792 [0,0,0,0,0,0|3,0,1]=4 4 B16R2.258 NC1CCN(CCc2cccc(Cl)c2)C1 Amb17472065 [0,0,0,0,0,0|3,0,1]=4 5 B16R2.258 Nc1cc(CCc2cccc(Br)c2)no1 Amb17272557 [0,0,0,0,0,0|2,1,1]=4 6 B16R2.258 Nc1cc(CCc2cccc(Cl)c2)no1 Amb17245902 [0,0,0,0,0,0|2,0,1]=3 7 B16R2.258 Nc1cc(COc2cccc(Cl)c2)no1 Amb17246728 [0,0,0,0,0,0|3,0,1]=4 8 B16R2.258 Nc1cnc(CCc2cccc(Cl)c2)o1 Amb18069301 [0,0,0,0,0,0|3,0,1]=4 9 B16R2.258 Nc1cnn(CCc2cccc(Cl)c2)c1 Amb31109444 [0,0,0,0,0,0|4,0,0]=4 10 B16R2.258 Nc1nc(CCc2cccc(Br)c2)cs1 Amb17283818 [0,0,0,0,0,0|0,2,2]=4 11 B16R2.258 Nc1nc(CCc2cccc(Cl)c2)cs1 Amb17254503 [0,0,0,0,0,0|0,1,2]=3 12 B16R2.258 Nc1nc(CNc2cccc(Cl)c2)cs1 Amb18228786 [0,0,0,0,0,0|1,1,2]=4 13 B16R2.258 Nc1nc(COc2cccc(Cl)c2)cs1 Amb8830581 [0,0,0,0,0,0|1,1,2]=4 14 B16R2.258 Nc1nc(CSc2cccc(Cl)c2)cs1 Amb18073462 [0,0,0,0,0,0|1,1,2]=4 15 B16R2.258 Nc1nc(SCc2cccc(Cl)c2)ns1 Amb17072833 [0,0,0,0,0,0|2,1,1]=4 16 B16R2.258 Nc1nnc(CCc2cccc(Cl)c2)o1 Amb17064352 [0,0,0,0,0,0|3,0,1]=4 17 B16R2.258 O=C1CC(CCc2cccc(Br)c2)CN1 Amb33433771 [0,0,0,0,0,0|3,1,0]=4 18 B16R2.258 O=C1NC(CCc2cccc(Br)c2)CO1 Amb33433767 [0,0,0,0,0,0|1,1,1]=3 19 B16R2.258 O=C1NCC(CCc2cccc(Br)c2)O1 Amb33433778 [0,0,0,0,0,0|3,1,0]=4 20 B15R2.283 NC1=NC(CSc2ccccc2)CO1 Amb27784910 [1,0,0,0,0,0|1,0,0]=2 21 B15R2.283 NC1=NCC(CCc2ccccc2)O1 Amb27746954 [1,0,0,0,0,0|2,0,0]=3 22 B15R2.283 NC1=NCC(CSc2ccccc2)O1 Amb17595588 [1,0,0,0,0,0|3,0,0]=4 23 B15R2.283 NC1=N[C@@H](CCc2ccccc2)CO1 Amb27969242 [1,0,0,0,0,0|0,0,0]=1 24 B15R2.283 NC1=N[C@H](CCc2ccccc2)CO1 Amb27879567 [1,0,0,0,0,0|0,0,0]=1 25 B15R2.283 NC1=N[C@H](CCc2ccccn2)CS1 Amb27950924 [1,0,0,0,0,0|1,1,0]=3 26 B15R2.283 NC1=N[C@H](CCc2cccnc2)CS1 Amb27868556 [1,0,0,0,0,0|1,1,0]=3 27 B15R2.283 NC1=N[C@H](COc2ccccc2)CO1 Amb27464440 [1,0,0,0,0,0|1,0,0]=2 28 B15R2.283 Nc1c[n+](CCc2ccccc2)no1 Amb19650266 [1,0,0,0,0,0|3,0,0]=4 29 B15R2.283 Nc1cc(CCc2ccccc2)no1 Amb33529147 [1,0,0,0,0,0|2,0,1]=4 30 B15R2.283 Nc1ccn(CCc2ccccc2)n1 Amb7173304 [1,0,0,0,0,0|2,0,1]=4 31 B15R2.283 Nc1cnn(CCc2ccccc2)n1 Amb32702378 [1,0,0,0,0,0|3,0,0]=4 32 B15R2.283 Nc1csc(CCc2ccccc2)n1 Amb28341882 [1,0,0,0,0,0|2,0,1]=4 33 B15R2.283 Nc1nc(CCc2ccccc2)cs1 Amb17238165 [1,0,0,0,0,0|0,1,2]=4 34 B15R2.283 Nc1nc(CCc2ccccc2)ns1 Amb18292122 [1,0,0,0,0,0|1,1,1]=4 35 B15R2.283 Nc1nc(CCc2ccccn2)no1 Amb35722902 [1,0,0,0,0,0|2,0,1]=4 36 B15R2.283 Nc1nc(COc2ccccc2)no1 Amb18995138 [1,0,0,0,0,0|2,0,1]=4 37 B15R2.283 Nc1nc(NCc2ccccc2)no1 Amb27968590 [1,0,0,0,0,0|2,0,1]=4 38 B15R2.283 Nc1ncn(CCc2ccccc2)n1 Amb19747703 [1,0,0,0,0,0|2,0,1]=4 39 B15R2.283 O=C1CC(CCc2ccccc2)CN1 Amb26954493 [1,0,0,0,0,0|3,0,0]=4 40 B15R2.283 O=C1CCC(CCc2ccccc2)C1 Amb28124539 [1,0,0,0,0,0|3,0,0]=4 41 B15R2.283 O=C1CCC(CCc2ccccc2)N1 Amb27596663 [1,0,0,0,0,0|2,0,1]=4 42 B15R2.283 O=C1NC(CCc2ccccc2)CO1 Amb25217512 [1,0,0,0,0,0|1,0,1]=3 43 B15R2.283 O=C1NCC(CCc2ccccc2)O1 Amb27662552 [1,0,0,0,0,0|3,0,0]=4 44 B15R2.283 O=C1OCC(CNc2ccccc2)O1 Amb28137905 [1,0,0,0,0,0|3,0,0]=4 45 B15R2.283 S=C1NC(CCc2ccccc2)CO1 Amb28241411 [1,0,0,0,0,0|1,0,1]=3 46 B15R2.283 S=C1NCC(CCc2ccccc2)O1 Amb28046293 [1,0,0,0,0,0|3,0,0]=4 47 B15R2.283 Sc1nc(CCc2ccccc2)no1 Amb27419282 [1,0,0,0,0,0|2,0,1]=4 48 B15R2.1117 Brc1cccc(CCC2CC=CC2)c1 Amb35594435 [1,0,0,0,0,0|2,1,0]=4 49 B15R2.1117 Cc1cccc(CCC2CC=CC2)c1 Amb35594412 [1,0,0,0,0,0|3,0,0]=4 50 B15R2.1117 Clc1cccc(CCC2CC=CC2)c1 Amb35644880 [1,0,0,0,0,0|2,0,0]=3 51 B15R2.1117 Clc1cccc(CCC2CCCN2)c1 Amb17240496 [1,0,0,0,0,0|1,0,2]=4 52 B15R2.1117 Clc1cccc(CCC2CCNC2)c1 Amb27848304 [1,0,0,0,0,0|2,0,1]=4 53 B15R2.1117 Clc1cccc(CNC2C=CCC2)c1 Amb30007130 [1,0,0,0,0,0|3,0,0]=4 54 B15R2.1117 Clc1cccc(CNC2CC=CC2)c1 Amb27454125 [1,0,0,0,0,0|3,0,0]=4 55 B15R2.1117 Clc1cccc(NCC2CC=CC2)c1 Amb35609783 [1,0,0,0,0,0|3,0,0]=4 56 B15R2.1117 Clc1cccc(OCC2CC=CC2)c1 Amb35629202 [1,0,0,0,0,0|3,0,0]=4 57 B15R2.1117 Fc1cccc(CCC2CC=CC2)c1 Amb29886131 [1,0,0,0,0,0|2,1,0]=4 58 B15R2.1117 Oc1cccc(CCC2CC=CC2)c1 Amb29886119 [1,0,0,0,0,0|3,0,0]=4 59 B17R2.2522 NCc1nc(CCc2cccc(Cl)c2)cs1 Amb17263075 [0,1,0,0,0,0|0,1,2]=4 60 B17R2.2522 NCc1nc(COc2cccc(Cl)c2)no1 Amb17105049 [0,1,0,0,0,0|2,0,1]=4 61 B15R1.1307 [N-]=[N+]=NC(CO)CCc1cccc(Br)c1 Amb33006677 [0,0,1,0,0,0|1,1,1]=4 62 B15R1.8263 CC(CCc1cccc(Br)c1)CC(=O)O Amb33006703 [0,0,1,0,0,0|2,1,0]=4 63 B15R1.8263 CN(CCc1cccc(Cl)c1)CC(=O)O Amb17343969 [0,0,1,0,0,0|3,0,0]=4 64 B15R2.1115 Cc1cccc(CN2CCC(N)=N2)c1 Amb27772166 [0,0,0,0,1,0|3,0,0]=4 65 B15R2.1115 NC1=NC(Cc2cccc(Cl)c2)CO1 Amb27856140 [0,0,0,0,1,0|0,0,0]=1 66 B15R2.1115 NC1=NC(Cc2cccc(F)c2)CO1 Amb27174275 [0,0,0,0,1,0|0,1,0]=2 67 B15R2.1115 Nc1cc(Cc2cccc(Cl)c2)no1 Amb17240111 [0,0,0,0,1,0|2,0,1]=4 68 B15R2.1115 Nc1ccn(Cc2cccc(Cl)c2)n1 Amb33534852 [0,0,0,0,1,0|2,0,1]=4 69 B15R2.1115 Nc1cnn(Cc2cccc(Cl)c2)n1 Amb18776409 [0,0,0,0,1,0|3,0,0]=4 70 B15R2.1115 Nc1nc(Cc2cccc(Br)c2)no1 Amb28203123 [0,0,0,0,1,0|1,1,1]=4 71 B15R2.1115 Nc1nc(Cc2cccc(Cl)c2)cs1 Amb8887725 [0,0,0,0,1,0|0,1,2]=4 72 B15R2.1115 Nc1ncn(Cc2cccc(Cl)c2)n1 Amb1946000 [0,0,0,0,1,0|2,0,1]=4 73 B15R2.1115 Nc1ncn(Cc2cccc(Cl)c2)n1 Amb32427975 [0,0,0,0,1,0|2,0,1]=4 74 B15R2.1115 O=C1CC(Cc2cccc(Cl)c2)CN1 Amb28131641 [0,0,0,0,1,0|3,0,0]=4 75 B15R2.1115 O=C1CCC(Cc2cccc(Cl)c2)N1 Amb27457427 [0,0,0,0,1,0|2,0,1]=4 76 B15R2.15418 NC1CC(COc2cccc(Cl)c2)C1 Amb29890784 [0,0,0,0,1,0|2,0,1]=4 77 B15R2.15418 NC1CC(CSc2cccc(Cl)c2)C1 Amb30039936 [0,0,0,0,1,0|2,0,1]=4 78 B17R2.215 Nc1cnc(CCc2cccc(Cl)c2)nc1 Amb18070830 [0,0,0,0,0,1|2,0,1]=4 79 B17R2.5296 Nc1cc(CCOc2cccc(Cl)c2)no1 Amb17254436 [0,0,0,0,0,1|2,0,1]=4 80 B17R2.5296 Nc1nc(CCOc2cccc(Cl)c2)cs1 Amb17264145 [0,0,0,0,0,1|0,1,2]=4 81 B17R2.5296 O=C1CCC(CNCc2cccc(Cl)c2)N1 Amb33230941 [0,0,0,0,0,1|2,0,1]=4 82 B17R2.5296 O=C1NC(CCOc2cccc(F)c2)CO1 Amb33416616 [0,0,0,0,0,1|1,1,1]=4 83 B17R2.5300 Nc1ccnc(CCc2cccc(Cl)c2)n1 Amb18070824 [0,0,0,0,0,1|1,0,2]=4 84 B14R1.422 N=C(N)NCCCCc1ccccc1 Amb32412066 [1,0,1,0,0,0|1,0,0]=3 85 B14R1.422 N=C(N)NCCOCc1ccccc1 Amb28255031 [1,0,1,0,0,0|2,0,0]=4 86 B14R1.422 N=C(N)NNCCCc1ccccc1 Amb24064219 [1,0,1,0,0,0|2,0,0]=4 87 B14R1.422 N=C(N)SCCCOc1ccccc1 Amb20675993 [1,0,1,0,0,0|1,1,0]=4 88 B14R1.422 N=C(N)SCCNCc1ccccc1 Amb27446566 [1,0,1,0,0,0|1,1,0]=4 89 B14R1.422 NC(=O)OCCNCc1ccccc1 Amb28145444 [1,0,1,0,0,0|2,0,0]=4 90 B14R1.32 CC(CCc1cccc(Br)c1)CON Amb33006657 [1,0,1,0,0,0|1,1,0]=4 91 B14R1.716 COC(=O)CCCCc1ccccc1 Amb8392132 [1,0,1,0,0,0|2,0,0]=4 92 B14R1.547 NCC(CO)CCc1cccc(Br)c1 Amb33009476 [1,0,1,0,0,0|0,1,1]=4 93 B14R1.818 CC(CCc1ccccc1)CC(=O)O Amb6749216 [1,0,1,0,0,0|2,0,0]=4 94 B14R1.818 CC(CCc1ccccc1)NC(=N)N Amb19073485 [1,0,1,0,0,0|1,0,1]=4 95 B14R2.101 c1ccc(CCc2ncon2)cc1 Amb27951724 [2,0,0,0,0,0|1,0,1]=4 96 B16R2.137 O=C1NC(CCc2ccc(Br)cc2)CO1 Amb33334086 [1,1,0,0,0,0|1,0,1]=4 97 B16R2.137 O=C1NC(CCc2ccc(F)cc2)CO1 Amb33319343 [1,1,0,0,0,0|1,0,1]=4 98 B16R2.2334 NCc1nc(CCc2ccccc2)no1 Amb19015873 [1,1,0,0,0,0|1,0,1]=4 99 B16R2.2333 NCc1nc(Cc2cccc(Cl)c2)no1 Amb8842666 [0,1,0,0,1,0|1,0,1]=4 100 B16R2.3252 O=C1CCCCC(c2cccc(Cl)c2)N1 Amb32862526 [0,0,1,1,0,0|2,0,0]=4 101 B16R2.33901 COC(=O)N1CCCc2cc(Cl)ccc21 Amb18867630 [0,0,1,1,0,0|1,0,1]=4 102 B16R2.12529 CC1(CC(=O)O)CCc2cc(Cl)ccc21 Amb17472061 [0,0,1,1,0,0|2,0,0]=4 103 B16R3.335 O=C1C[C@@H]2CCc3ccccc3[C@H]2O1 Amb28463677 [1,0,0,1,0,0|2,0,0]=4 104 B16R3.335 [C@@H]12CCc3ccccc3[C@@H]1OC(=O)C2 Amb17778862 [1,0,0,1,0,0|2,0,0]=4 105 B16R3.2022 Nc1nc(C2Cc3ccccc32)no1 Amb27417622 [1,0,0,1,0,0|1,0,1]=4 106 B16R3.10764 O=C1NC2(CCc3ccccc32)CO1 Amb27391879 [1,0,0,1,0,0|1,0,1]=4 107 B14R1.1025 COC(=O)CCCc1cccc(N)c1 Amb33726854 [0,0,1,0,1,0|2,0,0]=4 108 B14R1.1025 COC(=O)CCNc1cccc(Cl)c1 Amb9026318 [0,0,1,0,1,0|2,0,0]=4 109 B14R1.5956 CC(CCc1cccc(Br)c1)C(=O)O Amb17265517 [0,0,1,0,1,0|1,1,0]=4 110 B14R1.5956 CC(CCc1cccc(Cl)c1)C(=O)O Amb17241242 [0,0,1,0,1,0|1,0,0]=3 111 B14R1.5956 CC(CCc1cccc(Cl)n1)C(=O)O Amb33222656 [0,0,1,0,1,0|2,0,0]=4 112 B14R1.5956 CC(CCc1cccc(F)c1)C(=O)O Amb19337858 [0,0,1,0,1,0|1,1,0]=4 113 B14R1.5956 CC(CCc1cccc(O)c1)C(=O)O Amb17336810 [0,0,1,0,1,0|2,0,0]=4 114 B14R1.5956 CC(CNc1cccc(Cl)c1)C(=O)O Amb9400468 [0,0,1,0,1,0|2,0,0]=4 115 B14R1.5956 CC(CNc1cccc(Cl)c1)C(N)=O Amb8944658 [0,0,1,0,1,0|1,0,1]=4 116 B14R1.5956 CC(COc1cccc(Cl)c1)C(=O)O Amb9399575 [0,0,1,0,1,0|2,0,0]=4 117 B14R1.5956 CC(COc1cccc(Cl)c1)C(N)=O Amb17241551 [0,0,1,0,1,0|1,0,1]=4 118 B14R1.5956 CC(NCc1cccc(Cl)c1)C(=O)O Amb1111448 [0,0,1,0,1,0|2,0,0]=4 119 B14R1.5956 CC(SCc1cccc(Cl)c1)C(=O)O Amb6261785 [0,0,1,0,1,0|2,0,0]=4 120 B14R1.5956 Cc1cccc(CCC(C)C(=O)O)c1 Amb17235379 [0,0,1,0,1,0|2,0,0]=4 121 B14R1.5956 NC(CCc1cccc(Cl)c1)C(=O)O Amb17471481 [0,0,1,0,1,0|2,0,0]=4 122 B14R1.5956 N[C@@H](CCc1cccc(Cl)c1)C(=O)O Amb33802145 [0,0,1,0,1,0|2,0,0]=4 123 B14R1.5956 N[C@H](CCc1cccc(Cl)c1)C(=O)O Amb33802146 [0,0,1,0,1,0|2,0,0]=4 124 B14R1.5978 CC(CC(=O)O)Cc1cccc(Cl)c1 Amb17241247 [0,0,1,0,1,0|2,0,0]=4 125 B14R1.5978 CC(Cc1cccc(Cl)c1)NC(N)=O Amb24753672 [0,0,1,0,1,0|0,0,2]=4 126 B14R2.19 CC1=NC(Cc2ccccc2)CO1 Amb26964500 [1,0,0,0,1,0|1,0,0]=3 127 B14R2.19 NC1=NC(Cc2ccccc2)CO1 Amb23449444 [1,0,0,0,1,0|0,0,0]=2 128 B14R2.19 NC1=NC(Cc2ccccc2)CS1 Amb27400638 [1,0,0,0,1,0|0,1,0]=3 129 B14R2.19 NC1=NCC(Cc2ccccc2)N1 Amb27800741 [1,0,0,0,1,0|1,0,1]=4 130 B14R2.19 NC1=N[C@H](Cc2ccccc2)CO1 Amb27464486 [1,0,0,0,1,0|0,0,0]=2 131 B14R2.19 Nc1nc(Cc2ccccc2)co1 Amb22499416 [1,0,0,0,1,0|0,0,2]=4 132 B14R2.19 O=C1CC(Cc2ccccc2)CO1 Amb8487117 [1,0,0,0,1,0|2,0,0]=4 133 B14R2.19 O=C1NC(Cc2ccccc2)CO1 Amb9809273 [1,0,0,0,1,0|1,0,1]=4 134 B14R2.19 O=C1N[C@@H](Cc2ccccc2)CO1 Amb2725669 [1,0,0,0,1,0|1,0,1]=4 135 B14R2.19 O=C1N[C@H](Cc2ccccc2)CO1 Amb6357181 [1,0,0,0,1,0|1,0,1]=4 136 B14R2.19 S=C1NC(Cc2ccccc2)CO1 Amb25938312 [1,0,0,0,1,0|1,0,1]=4 137 B14R2.19 S=C1N[C@@H](Cc2ccccc2)CO1 Amb8629174 [1,0,0,0,1,0|1,0,1]=4 138 B14R2.19 S=C1N[C@H](Cc2ccccc2)CO1 Amb8629175 [1,0,0,0,1,0|1,0,1]=4 139 B14R2.436 NC1CC(CCc2ccccc2)C1 Amb27415257 [1,0,0,0,1,0|1,0,1]=4 140 B14R2.436 O=C1CC(CCc2ccccc2)C1 Amb27235487 [1,0,0,0,1,0|2,0,0]=4 141 B14R2.436 O=C1C[C@@H](CCc2ccccc2)N1 Amb27413661 [1,0,0,0,1,0|1,0,1]=4 142 B14R2.436 O=C1C[C@H](CCc2ccccc2)N1 Amb27206618 [1,0,0,0,1,0|1,0,1]=4 143 B14R2.716 Clc1cccc(CC2CC=CC2)c1 Amb35594351 [1,0,0,0,1,0|2,0,0]=4 144 B14R2.4475 Clc1cccc(CNC2COC2)c1 Amb19893295 [1,0,0,0,1,0|1,0,1]=4 145 B14R2.268 NC1CC1CCc2cccc(Br)c2 Amb33433395 [0,0,0,0,2,0|0,1,1]=4 146 B14R2.268 NC1CC1COc2cccc(Cl)c2 Amb24533299 [0,0,0,0,2,0|1,0,1]=4 147 B14R2.268 N[C@@H]1C[C@H]1CCc2cccc(Br)c2 Amb33433394 [0,0,0,0,2,0|0,1,1]=4 148 B14R2.22 NC1=NC(c2cccc(F)c2)CO1 Amb28341994 [0,0,0,0,2,0|0,1,0]=3 149 B14R2.22 NC1=NCC(c2cccc(Cl)c2)O1 Amb27180137 [0,0,0,0,2,0|2,0,0]=4 150 B14R2.22 NC1=NN(c2cccc(Cl)c2)CC1 Amb24105111 [0,0,0,0,2,0|2,0,0]=4 151 B14R2.22 Nc1nc(-c2cccc(Cl)c2)co1 Amb18279630 [0,0,0,0,2,0|0,0,2]=4 152 B14R2.22 Nc1nc(-c2cccc(Cl)c2)no1 Amb33530582 [0,0,0,0,2,0|1,0,1]=4 153 B14R2.22 O=C1CC(c2cccc(Cl)c2)CO1 Amb33353527 [0,0,0,0,2,0|2,0,0]=4 154 B14R2.22 O=C1NC(c2cccc(Cl)c2)CO1 Amb26859137 [0,0,0,0,2,0|1,0,1]=4 155 B14R2.22 O=C1N[C@@H](c2cccc(Cl)c2)CO1 Amb28077006 [0,0,0,0,2,0|1,0,1]=4 156 B16R2.2832 Nc1nc(CCCc2ccccc2)co1 Amb33129276 [1,0,0,0,0,1|0,0,2]=4 157 B16R2.2832 Nc1nc(COCc2ccccc2)no1 Amb27666114 [1,0,0,0,0,1|1,0,1]=4 158 B16R2.2832 O=C1NC(CCOc2ccccc2)CO1 Amb33080548 [1,0,0,0,0,1|1,0,1]=4 159 B16R2.2832 O=C1NC(COCc2ccccc2)CO1 Amb27646362 [1,0,0,0,0,1|1,0,1]=4 160 B16R2.2832 O=C1OCC(COCc2ccccc2)O1 Amb10071643 [1,0,0,0,0,1|2,0,0]=4