0 B12R1.37 CSCCCNCc1ccco1 AIFCHEM-94546183170 [1,0,0,0,0,0|1,1,1]=4 1 B12R1.255 O=C(O)CCNCc1cccs1 AIFCHEM-5885864236 [1,0,0,0,0,0|1,1,0]=3 2 B14R1.588 CNC(=O)CC(C)NCc1ccco1 AIFCHEM-94602603497 [0,1,0,0,0,0|2,0,0]=3 3 B14R1.588 CNC(=O)CC(C)NCc1ncco1 AIFCHEM-94602591618 [0,1,0,0,0,0|3,0,0]=4 4 B14R1.588 COC(=O)CC(C)NCc1cc[nH]n1 AIFCHEM-94524658077 [0,1,0,0,0,0|3,0,0]=4 5 B14R1.588 COC(=O)CC(C)NCc1cncs1 AIFCHEM-94571854141 [0,1,0,0,0,0|2,1,0]=4 6 B14R1.588 COC(=O)CC(C)NCc1cscn1 AIFCHEM-5637596765 [0,1,0,0,0,0|3,0,0]=4 7 B14R1.588 COC(=O)C[C@@H](C)NCc1cc[nH]n1 AIFCHEM-94524658275 [0,1,0,0,0,0|3,0,0]=4 8 B14R1.588 COC(=O)C[C@@H](C)NCc1cncs1 AIFCHEM-94564415512 [0,1,0,0,0,0|2,1,0]=4 9 B14R1.588 COC(=O)C[C@@H](C)NCc1cscn1 AIFCHEM-5946814812 [0,1,0,0,0,0|3,0,0]=4 10 B14R1.588 COC(=O)C[C@@H](C)NCc1ncc[nH]1 AIFCHEM-94564415562 [0,1,0,0,0,0|3,0,0]=4 11 B14R1.588 COC(=O)C[C@H](C)NCc1cc[nH]n1 AIFCHEM-94524658276 [0,1,0,0,0,0|3,0,0]=4 12 B14R1.588 COC(=O)C[C@H](C)NCc1cncs1 AIFCHEM-5718656169 [0,1,0,0,0,0|2,1,0]=4 13 B14R1.609 CCOC(=O)CCNCc1ccco1 AIFCHEM-94540087097 [0,1,0,0,0,0|1,0,0]=2 14 B14R1.609 CCOC(=O)CCNCc1cnco1 AIFCHEM-6037044859 [0,1,0,0,0,0|2,0,0]=3 15 B14R1.609 CCOC(=O)CCNCc1nccs1 AIFCHEM-6056448090 [0,1,0,0,0,0|2,1,0]=4 16 B14R1.715 COC(=O)CCCNc1ccc(s1)C AIFCHEM-94592441993 [0,1,0,0,0,0|2,1,0]=4 17 B14R1.715 COC(=O)CCNCc1cc(co1)Br AIFCHEM-6108162062 [0,1,0,0,0,0|1,0,0]=2 18 B14R1.715 COC(=O)CCNCc1cc(cs1)O AIFCHEM-94571797056 [0,1,0,0,0,0|1,1,0]=3 19 B14R1.715 COC(=O)CCNCc1ccc(o1)C AIFCHEM-6173861731 [0,1,0,0,0,0|1,0,0]=2 20 B14R1.715 COC(=O)CCNCc1cn(cn1)C AIFCHEM-6108504368 [0,1,0,0,0,0|3,0,0]=4 21 B14R1.715 COC(=O)CCNCc1cnc(s1)C AIFCHEM-6173843546 [0,1,0,0,0,0|2,1,0]=4 22 B14R1.715 COC(=O)CCNCc1csc(n1)C AIFCHEM-6131247882 [0,1,0,0,0,0|3,0,0]=4 23 B14R1.715 COC(=O)CCNCc1nc(cs1)C AIFCHEM-6108649636 [0,1,0,0,0,0|2,1,0]=4 24 B14R1.729 COC(=O)CCNC(=O)c1ccco1 AIFCHEM-6150113733 [0,1,0,0,0,0|1,0,1]=3 25 B14R1.729 COC(=O)CCNC(=O)c1cccs1 AIFCHEM-6132081850 [0,1,0,0,0,0|1,1,1]=4 26 B14R1.731 CNC(=O)CCN(C)Cc1cnco1 AIFCHEM-94601208349 [0,1,0,0,0,0|3,0,0]=4 27 B14R1.731 CNC(=O)CCN(C)Cc1ncco1 AIFCHEM-94601212853 [0,1,0,0,0,0|3,0,0]=4 28 B14R1.731 COC(=O)CCN(C)Cc1ccoc1 AIFCHEM-5713292551 [0,1,0,0,0,0|3,0,0]=4 29 B14R1.731 COC(=O)CCN(C)Cc1ccsc1 AIFCHEM-5687634631 [0,1,0,0,0,0|3,0,0]=4 30 B14R1.731 COC(=O)CCN(C)Cc1cncs1 AIFCHEM-5687585211 [0,1,0,0,0,0|2,1,0]=4 31 B14R1.731 COC(=O)CCN(C)Cc1cocn1 AIFCHEM-5687468595 [0,1,0,0,0,0|3,0,0]=4 32 B14R1.731 COC(=O)CCN(C)Cc1cscn1 AIFCHEM-5749369704 [0,1,0,0,0,0|3,0,0]=4 33 B14R1.731 COC(=O)CCN(C)Cc1ncco1 AIFCHEM-5773861505 [0,1,0,0,0,0|2,0,0]=3 34 B14R1.731 COC(=O)CNC(=O)Cc1cccs1 AIFCHEM-6193218056 [0,1,0,0,0,0|2,1,0]=4 35 B14R1.986 COC(=O)C(C)CNCc1ccsc1 AIFCHEM-5867234547 [0,1,0,0,0,0|3,0,0]=4 36 B14R1.986 COC(=O)C(C)CNCc1cocn1 AIFCHEM-5788595443 [0,1,0,0,0,0|3,0,0]=4 37 B14R2.252 O=C1CC(CN1)NCc2cccs2 AIFCHEM-5751717502 [0,0,0,1,0,0|2,1,0]=4 38 B14R2.252 O=C1CC(CN1)NCc2ncco2 AIFCHEM-5917475595 [0,0,0,1,0,0|3,0,0]=4 39 B14R2.252 O=C1C[C@@H](CO1)NCc2ncco2 AIFCHEM-6120529474 [0,0,0,1,0,0|2,0,0]=3 40 B14R2.252 O=C1C[C@H](CN1)NCc2cccs2 AIFCHEM-6088188246 [0,0,0,1,0,0|2,1,0]=4 41 B14R2.252 O=C1C[C@H](CO1)NCc2ncco2 AIFCHEM-5598702253 [0,0,0,1,0,0|2,0,0]=3 42 B14R2.1185 COC1CC(C1)NCc2ccco2 AIFCHEM-94557348038 [0,0,0,1,0,0|2,0,1]=4 43 B14R2.1185 CO[C@H]1C[C@@H](C1)NCc2ccco2 AIFCHEM-94540080754 [0,0,0,1,0,0|2,0,1]=4 44 B14R2.1185 CO[C@H]1C[C@H](C1)NCc2ccco2 AIFCHEM-94540080755 [0,0,0,1,0,0|2,0,1]=4 45 B12R1.477 CNC(=O)CNCc1cccs1 AIFCHEM-94562546321 [0,0,0,0,1,0|2,1,0]=4 46 B12R1.477 COC(=O)CNCc1cccs1 AIFCHEM-6233438102 [0,0,0,0,1,0|1,1,0]=3 47 B14R1.716 COC(=O)CCCNc1ccccc1 AIFCHEM-94552033058 [0,0,0,0,0,1|3,0,0]=4 48 B14R1.716 COC(=O)CCCNc1ccncc1 AIFCHEM-94592442665 [0,0,0,0,0,1|3,0,0]=4 49 B14R1.716 COC(=O)CCNCc1ccccn1 AIFCHEM-6173863971 [0,0,0,0,0,1|2,0,0]=3 50 B14R1.716 COC(=O)CCNCc1cccnn1 AIFCHEM-6150387932 [0,0,0,0,0,1|2,0,0]=3 51 B14R1.730 COC(=O)CCCCNc1ccn[nH]1 AIFCHEM-5941139492 [0,0,0,0,0,1|3,0,0]=4 52 B14R1.730 COC(=O)CCCCNc1cscn1 AIFCHEM-94557118811 [0,0,0,0,0,1|3,0,0]=4 53 B14R1.730 COC(=O)CCCNCc1nccs1 AIFCHEM-6090901439 [0,0,0,0,0,1|2,1,0]=4 54 B13R1.27 COCCCNCc1cc(co1)Br AIFCHEM-94598888062 [1,1,0,0,0,0|1,0,1]=4 55 B13R1.404 COCC(O)CNCc1ccco1 AIFCHEM-94540092811 [1,1,0,0,0,0|1,0,1]=4 56 B13R1.167 O=C(O)CCNCc1sccc1Cl AIFCHEM-5846157503 [1,1,0,0,0,0|1,1,0]=4 57 B13R1.545 CNC(=O)CN(C)Cc1ccco1 AIFCHEM-94608447501 [0,1,0,0,1,0|2,0,0]=4 58 B13R1.545 COC(=O)CN(C)Cc1ccco1 AIFCHEM-94540080251 [0,1,0,0,1,0|1,0,0]=3 59 B13R1.554 COC(=O)C(C)NCc1ccco1 AIFCHEM-94540080252 [0,1,0,0,1,0|1,0,0]=3 60 B13R1.554 COC(=O)[C@@H](C)NCc1ccco1 AIFCHEM-94540080986 [0,1,0,0,1,0|1,0,0]=3 61 B13R1.554 COC(=O)[C@H](C)NCc1ccco1 AIFCHEM-94540084724 [0,1,0,0,1,0|1,0,0]=3 62 B13R1.717 COC(=O)CNCc1cc(co1)Br AIFCHEM-6216423180 [0,1,0,0,1,0|1,0,0]=3 63 B13R1.717 COC(=O)CNCc1cc(cs1)Cl AIFCHEM-6216796496 [0,1,0,0,1,0|1,1,0]=4 64 B15R1.26 COC(=O)CCNCc1ccc(cc1)Cl AIFCHEM-6131256414 [0,1,0,0,0,1|2,0,0]=4 65 B15R1.26 COC(=O)CCNCc1ccc(cn1)Br AIFCHEM-6173719884 [0,1,0,0,0,1|2,0,0]=4 66 B15R1.26 COC(=O)CCNCc1ccc(cn1)C AIFCHEM-6149950928 [0,1,0,0,0,1|2,0,0]=4 67 B15R1.26 COC(=O)CCNCc1ccc(nc1)F AIFCHEM-6150706458 [0,1,0,0,0,1|2,0,0]=4 68 B15R1.741 COC(=O)CC(C)NCc1ccccc1 AIFCHEM-5794339861 [0,1,0,0,0,1|2,0,0]=4 69 B15R1.741 COC(=O)CC(C)NCc1ccncn1 AIFCHEM-94598724535 [0,1,0,0,0,1|2,0,0]=4 70 B15R1.741 COC(=O)C[C@@H](C)NCc1ccncn1 AIFCHEM-5913906295 [0,1,0,0,0,1|2,0,0]=4 71 B15R1.741 COC(=O)C[C@H](C)NCc1ccncn1 AIFCHEM-5765015739 [0,1,0,0,0,1|2,0,0]=4 72 B15R1.778 CCOC(=O)CCNCc1cccnn1 AIFCHEM-6037179306 [0,1,0,0,0,1|2,0,0]=4 73 B15R1.778 CCOC(=O)CCNCc1ncccn1 AIFCHEM-6016641632 [0,1,0,0,0,1|2,0,0]=4 74 B15R1.942 COC(=O)CCNCc1cc(ccn1)Br AIFCHEM-6130955027 [0,1,0,0,0,1|2,0,0]=4 75 B15R1.942 COC(=O)CCNCc1cccc(c1)Br AIFCHEM-6108353545 [0,1,0,0,0,1|2,0,0]=4 76 B15R1.942 COC(=O)CCNCc1cccc(c1)C AIFCHEM-6173780145 [0,1,0,0,0,1|2,0,0]=4 77 B15R1.942 COC(=O)CCNCc1cccc(n1)C AIFCHEM-6108499474 [0,1,0,0,0,1|2,0,0]=4 78 B15R1.942 COC(=O)CCNCc1cncc(c1)O AIFCHEM-6129743376 [0,1,0,0,0,1|2,0,0]=4 79 B15R1.959 COC(=O)CCNC(C)c1ccncn1 AIFCHEM-6129846129 [0,1,0,0,0,1|2,0,0]=4 80 B15R1.964 COC(=O)CCN(C)Cc1ccncc1 AIFCHEM-5773761241 [0,1,0,0,0,1|2,0,0]=4 81 B15R1.1091 COC(=O)CCNCc1ccccc1O AIFCHEM-94532464275 [0,1,0,0,0,1|2,0,0]=4 82 B15R1.1091 COC(=O)CCNCc1cccnc1F AIFCHEM-6131464191 [0,1,0,0,0,1|2,0,0]=4 83 B15R1.1091 COC(=O)CCNCc1cnccc1Cl AIFCHEM-6130845258 [0,1,0,0,0,1|2,0,0]=4 84 B15R1.1091 COC(=O)CCNCc1ncccc1F AIFCHEM-6108389991 [0,1,0,0,0,1|2,0,0]=4 85 B15R1.795 CCOC(=O)CCCCNc1ncco1 AIFCHEM-6254437977 [0,1,0,0,0,1|2,0,0]=4 86 B15R1.961 CCC(=O)NCCNCc1ccc(o1)I AIFCHEM-94532525023 [0,1,0,0,0,1|2,0,0]=4 87 B15R1.961 COC(=O)CCCNCc1cc(cs1)O AIFCHEM-94571791217 [0,1,0,0,0,1|1,1,0]=4 88 B15R1.961 COC(=O)CCCNCc1ccc(s1)Br AIFCHEM-6127859547 [0,1,0,0,0,1|1,1,0]=4 89 B15R1.1115 COC(=O)CCC(=O)NCc1ccc[nH]1 AIFCHEM-5978202357 [0,1,0,0,0,1|2,0,0]=4 90 B15R1.1115 COC(=O)NCC(=O)NCc1ccco1 AIFCHEM-94557354272 [0,1,0,0,0,1|1,0,1]=4 91 B15R1.1332 COC(=O)[C@@H](O)CCNCc1ccco1 AIFCHEM-94540085563 [0,1,0,0,0,1|1,0,0]=3 92 B15R1.1332 COC(=O)[C@@H](O)CCNCc1cnco1 AIFCHEM-6496597452 [0,1,0,0,0,1|2,0,0]=4 93 B15R1.3174 CCC(=O)NCCNCc1occc1Br AIFCHEM-94532523599 [0,1,0,0,0,1|2,0,0]=4 94 B15R1.740 COC(=O)CC(C)NCc1cc(cs1)O AIFCHEM-94571791802 [0,2,0,0,0,0|1,1,0]=4 95 B15R1.740 COC(=O)CC(C)NCc1ccc(o1)I AIFCHEM-6043311361 [0,2,0,0,0,0|1,0,0]=3 96 B15R1.740 COC(=O)C[C@@H](C)NCc1cc(cs1)O AIFCHEM-94571788502 [0,2,0,0,0,0|1,1,0]=4 97 B15R1.740 COC(=O)C[C@@H](C)NCc1ccc([nH]1)Br AIFCHEM-5960994607 [0,2,0,0,0,0|2,0,0]=4 98 B15R1.740 COC(=O)C[C@@H](C)NCc1ccc(o1)I AIFCHEM-94564418483 [0,2,0,0,0,0|1,0,0]=3 99 B15R1.740 COC(=O)C[C@H](C)NCc1cc(cs1)O AIFCHEM-94571792001 [0,2,0,0,0,0|1,1,0]=4 100 B15R1.740 COC(=O)C[C@H](C)NCc1ccc([nH]1)Br AIFCHEM-5765034135 [0,2,0,0,0,0|2,0,0]=4 101 B15R1.740 COC(=O)C[C@H](C)NCc1ccc(o1)I AIFCHEM-5773208569 [0,2,0,0,0,0|1,0,0]=3 102 B15R1.948 COC(=O)CC(=O)N(C)Cc1ccco1 AIFCHEM-94549712478 [0,2,0,0,0,0|1,0,1]=4 103 B15R1.1284 CCOC(=O)CC(C)NCc1cccs1 AIFCHEM-5744640015 [0,2,0,0,0,0|1,1,0]=4 104 B15R1.1284 CCOC(=O)C[C@H](C)NCc1cccs1 AIFCHEM-6078011824 [0,2,0,0,0,0|1,1,0]=4 105 B15R1.1349 COC(=O)C(C)C(=O)NCc1ccco1 AIFCHEM-94557356537 [0,2,0,0,0,0|1,0,1]=4 106 B15R1.777 CCOC(=O)CCNCc1cc(cs1)O AIFCHEM-94571798457 [0,2,0,0,0,0|1,1,0]=4 107 B15R1.777 CCOC(=O)CCNCc1ccc(o1)C AIFCHEM-6056775555 [0,2,0,0,0,0|1,0,0]=3 108 B15R1.777 CCOC(=O)CCNCc1ccc(s1)Br AIFCHEM-6056634266 [0,2,0,0,0,0|1,1,0]=4 109 B15R1.777 CCOC(=O)CCNCc1ccc(s1)Cl AIFCHEM-6074514859 [0,2,0,0,0,0|1,1,0]=4 110 B15R1.777 CCOC(=O)CCNCc1cnc(o1)C AIFCHEM-6038365024 [0,2,0,0,0,0|2,0,0]=4 111 B15R1.796 CCOC(=O)CCN(C)Cc1cnco1 AIFCHEM-5893999528 [0,2,0,0,0,0|2,0,0]=4 112 B15R1.796 CCOC(=O)CCN(C)Cc1ncco1 AIFCHEM-5961530350 [0,2,0,0,0,0|2,0,0]=4 113 B15R1.43 CCc1ccc(s1)CNCCC(=O)OC AIFCHEM-6149933478 [0,2,0,0,0,0|1,1,0]=4 114 B15R1.963 COC(=O)CCN(C)Cc1cc(co1)Br AIFCHEM-5687642495 [0,2,0,0,0,0|1,0,0]=3 115 B15R1.963 COC(=O)CCN(C)Cc1cc(cs1)C AIFCHEM-5711055249 [0,2,0,0,0,0|1,1,0]=4 116 B15R1.963 COC(=O)CCN(C)Cc1cc(cs1)O AIFCHEM-94571796004 [0,2,0,0,0,0|1,1,0]=4 117 B15R1.963 COC(=O)CCN(C)Cc1cc(no1)Br AIFCHEM-5713555549 [0,2,0,0,0,0|2,0,0]=4 118 B15R1.963 COC(=O)CCN(C)Cc1ccc(o1)C AIFCHEM-5773920479 [0,2,0,0,0,0|1,0,0]=3 119 B15R1.1320 COC(=O)C(C)CNCc1ccc(o1)Br AIFCHEM-5817067641 [0,2,0,0,0,0|1,0,0]=3 120 B15R1.1320 COC(=O)C(C)CNCc1ccc(s1)Cl AIFCHEM-5788599178 [0,2,0,0,0,0|1,1,0]=4 121 B15R1.1320 COC(=O)C(O)CNCc1cc(cs1)C AIFCHEM-6506100583 [0,2,0,0,0,0|1,1,0]=4 122 B15R1.1320 COC(=O)C(O)CNCc1ccc(s1)Cl AIFCHEM-6512486398 [0,2,0,0,0,0|1,1,0]=4 123 B15R1.1320 COC(=O)[C@@H](O)CNCc1cc(cs1)C AIFCHEM-6491190818 [0,2,0,0,0,0|1,1,0]=4 124 B15R1.1320 COC(=O)[C@@H](O)CNCc1cc(cs1)O AIFCHEM-94571801673 [0,2,0,0,0,0|1,1,0]=4 125 B15R1.1320 COC(=O)[C@@H](O)CNCc1ccc(s1)Cl AIFCHEM-6493266068 [0,2,0,0,0,0|1,1,0]=4 126 B15R1.11550 COC(=O)CCNC(=O)c1occc1C AIFCHEM-6129974045 [0,2,0,0,0,0|1,0,1]=4 127 B15R1.1417 COC(=O)C(C)CNCc1occc1Br AIFCHEM-5839093195 [0,2,0,0,0,0|1,0,0]=3 128 B15R2.283 O=C1CC(CO1)NCc2ccccc2 AIFCHEM-94554632164 [0,0,0,1,0,1|2,0,0]=4 129 B15R2.283 O=C1CC(CO1)NCc2cccnc2 AIFCHEM-6276635887 [0,0,0,1,0,1|2,0,0]=4 130 B15R2.283 O=C1C[C@@H](CO1)NCc2cccnc2 AIFCHEM-6093531024 [0,0,0,1,0,1|2,0,0]=4 131 B15R2.283 O=C1C[C@H](CO1)NCc2cccnc2 AIFCHEM-5631242364 [0,0,0,1,0,1|2,0,0]=4 132 B15R2.288 O=C1CC(CN1)NCc2cc(co2)Br AIFCHEM-5876056320 [0,1,0,1,0,0|2,0,0]=4 133 B15R2.288 O=C1CC(CN1)NCc2ccc(o2)Cl AIFCHEM-5714371199 [0,1,0,1,0,0|2,0,0]=4 134 B15R2.288 O=C1C[C@@H](CO1)NCc2cc(cs2)O AIFCHEM-94571789670 [0,1,0,1,0,0|1,1,0]=4 135 B15R2.288 O=C1C[C@H](CO1)NCc2cc(cs2)O AIFCHEM-94571789671 [0,1,0,1,0,0|1,1,0]=4 136 B15R2.19103 COC(=O)C1CN(C1)Cc2cccs2 AIFCHEM-6063002079 [0,1,0,1,0,0|1,1,0]=4 137 B15R2.287 O=C1C[C@@H](CO1)NCc2sccc2Br AIFCHEM-6171253262 [0,1,0,1,0,0|1,1,0]=4 138 B15R2.287 O=C1C[C@H](CO1)NCc2sccc2Br AIFCHEM-5630975636 [0,1,0,1,0,0|1,1,0]=4 139 B15R1.962 CCC(=O)NCCSCc1ccccn1 AIFCHEM-94596863944 [0,0,0,0,0,2|2,0,0]=4 140 B15R1.962 COC(=O)CCCCNc1ccccc1 AIFCHEM-94552036556 [0,0,0,0,0,2|2,0,0]=4 141 B15R1.962 COC(=O)CCCCNc1ccncc1 AIFCHEM-6157814230 [0,0,0,0,0,2|2,0,0]=4 142 B15R1.962 COC(=O)CCCNCc1ccncn1 AIFCHEM-6117669732 [0,0,0,0,0,2|2,0,0]=4 143 B15R1.975 CCC(=O)NCCCSCc1ccco1 AIFCHEM-94526499454 [0,0,0,0,0,2|1,0,0]=3