0 B15R1.12293 C=C(C)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000748629 [0,0,0,0,0,0|4,0,0]=4 1 B15R1.12293 C=C(F)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000042424 [0,0,0,0,0,0|4,0,0]=4 2 B15R1.12293 CC(=O)C(NCC(=O)O)c1ccccc1 269956a_100016091260_100009888967 [0,0,0,0,0,0|4,0,0]=4 3 B15R1.12293 CC(=O)OCC(C(=O)C)c1ccccc1 1458a_200010206951_200000210301 [0,0,0,0,0,0|2,0,1]=3 4 B15R1.12293 CC(=O)OCC(C(=O)[13CH3])c1ccccc1 1458a_200010206951_200025704644 [0,0,0,0,0,0|2,0,1]=3 5 B15R1.12293 CC(C)NCC(C(=O)O)c1ccccc1 269956a_100000722792_100000210206 [0,0,0,0,0,0|3,0,1]=4 6 B15R1.12293 CC(O)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100011218427 [0,0,0,0,0,0|3,0,1]=4 7 B15R1.12293 C[C@@H](O)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100009817552 [0,0,0,0,0,0|3,0,1]=4 8 B15R1.12293 NC(=O)C(NCC(=O)O)c1ccccc1 269956a_100016091260_100000188848 [0,0,0,0,0,0|4,0,0]=4 9 B15R1.12293 NC(=O)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000187820 [0,0,0,0,0,0|2,0,2]=4 10 B15R1.12293 O=C([O-])CNC(C(=O)O)c1ccccc1 269956a_100000230147_100020667443 [0,0,0,0,0,0|3,0,1]=4 11 B14R1.178 C=CCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000210623 [1,0,0,0,0,0|3,0,0]=4 12 B14R1.178 CCNCC(C(=O)O)c1ccccc1 269956a_100000722792_100000210202 [1,0,0,0,0,0|2,0,1]=4 13 B14R1.178 O=C(O)C(CNCF)c1ccccc1 269956a_100000722792_100015361967 [1,0,0,0,0,0|2,0,1]=4 14 B14R1.178 O=C(O)C(NCCO)c1ccccc1 269956a_100000230147_100000211926 [1,0,0,0,0,0|2,0,1]=4 15 B14R1.178 O=CCNC(C(=O)O)c1ccccc1 269956a_100000230147_200015260668 [1,0,0,0,0,0|2,0,1]=4 16 B16R1.5816 CC(=O)OCC(C(=O)CF)c1ccccc1 1458a_200010206951_100015361967 [0,1,0,0,0,0|2,0,1]=4 17 B16R1.5816 CCC(=O)C(COC(=O)C)c1ccccc1 1458a_200010206951_100000210202 [0,1,0,0,0,0|2,0,1]=4 18 B16R1.5816 CNC(=O)C(COC(=O)C)c1ccccc1 1626a_100102657272_200010206951 [0,1,0,0,0,0|2,0,1]=4 19 B16R1.5816 CNC(=O)C(COC(=O)C)c1ccccc1 240690a_100102657272_200010206951 [0,1,0,0,0,0|2,0,1]=4 20 B16R1.5816 COC(=O)C(COC(C)C)c1ccccc1 34a_100000093338_100000210206 [0,1,0,0,0,0|2,0,1]=4 21 B16R1.5816 COC(=O)C(COC(C)C)c1ccccc1 7a_100000093338_100000210206 [0,1,0,0,0,0|2,0,1]=4 22 B16R1.5816 COC(=O)C(NCC(=O)O)c1ccccc1 269956a_100016091260_100000754950 [0,1,0,0,0,0|3,0,0]=4 23 B16R1.18482 COC(=O)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000747449 [0,1,0,0,0,0|3,0,0]=4 24 B16R1.18482 COC(C)NCC(C(=O)O)c1ccccc1 269956a_100000722792_100009879195 [0,1,0,0,0,0|2,0,1]=4 25 B16R1.18482 C[C@H](CO)NCC(C(=O)O)c1ccccc1 269956a_100000722792_100016084084 [0,1,0,0,0,0|2,0,1]=4 26 B14R1.6455 CC(=O)O[C@@H](C(=O)C)c1ccccc1 1458a_100016990227_200000210301 [0,0,0,0,1,0|2,0,1]=4 27 B14R1.6455 CC(=O)O[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100016990227_200025704644 [0,0,0,0,1,0|2,0,1]=4 28 B16R1.12528 C=C(C)CCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000730704 [0,0,0,0,0,1|3,0,0]=4 29 B16R1.12528 C=C(C)CNCC(C(=O)O)c1ccccc1 269956a_100000722792_100000748629 [0,0,0,0,0,1|3,0,0]=4 30 B16R1.12528 C=C(F)CNCC(C(=O)O)c1ccccc1 269956a_100000722792_100000042424 [0,0,0,0,0,1|3,0,0]=4 31 B16R1.12528 CC(=CCNC(C(=O)O)c1ccccc1)C 269956a_100000230147_100000761012 [0,0,0,0,0,1|3,0,0]=4 32 B16R1.12528 CC(=O)C(NOCC(=O)O)c1ccccc1 269956a_100000106656_100009888967 [0,0,0,0,0,1|3,0,0]=4 33 B16R1.12528 CC(=O)CCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000053229 [0,0,0,0,0,1|2,0,1]=4 34 B16R1.12528 CC(=O)OCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000076356 [0,0,0,0,0,1|1,0,1]=3 35 B16R1.12528 CC(=O)OCNC(C(=O)O)c1ccccn1 269956a_200016167988_100000076356 [0,0,0,0,0,1|2,0,1]=4 36 B16R1.12528 CC(=O)OCOC(C(=O)N)c1ccccc1 34a_100011200849_100009813279 [0,0,0,0,0,1|2,0,1]=4 37 B16R1.12528 CC(=O)OCSC(C(=O)C)c1ccccc1 62a_100000076356_100009888967 [0,0,0,0,0,1|2,0,1]=4 38 B16R1.12528 CC(=O)OCSC(C(=O)C)c1ccccc1 62a_100009888967_100000076356 [0,0,0,0,0,1|2,0,1]=4 39 B16R1.12528 CC(=O)OCSC(C(=O)N)c1ccccc1 62a_100000076356_100000188848 [0,0,0,0,0,1|2,0,1]=4 40 B16R1.12528 CC(=O)OCSC(C(=O)N)c1ccccc1 62a_100000188848_100000076356 [0,0,0,0,0,1|2,0,1]=4 41 B16R1.12528 CC(C)OCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000709892 [0,0,0,0,0,1|2,0,1]=4 42 B16R1.12528 CC(O)CCNC(C(=O)O)c1ccccc1 269956a_100000230147_100012276601 [0,0,0,0,0,1|2,0,1]=4 43 B16R1.12528 CC(O)CNCC(C(=O)O)c1ccccc1 269956a_100000722792_100011218427 [0,0,0,0,0,1|2,0,1]=4 44 B16R1.12528 C[C@@H](O)CNCC(C(=O)O)c1ccccc1 269956a_100000722792_100009817552 [0,0,0,0,0,1|2,0,1]=4 45 B16R1.12528 NC(=O)C(NOCC(=O)O)c1ccccc1 269956a_100000106656_100000188848 [0,0,0,0,0,1|3,0,0]=4 46 B16R1.12528 NC(=O)CCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000744528 [0,0,0,0,0,1|1,0,2]=4 47 B16R1.12528 NC(=O)CNCC(C(=O)O)c1ccccc1 269956a_100000722792_100000187820 [0,0,0,0,0,1|1,0,2]=4 48 B16R1.12528 O=C([O-])CNCC(C(=O)O)c1ccccc1 269956a_100000722792_100020667443 [0,0,0,0,0,1|2,0,1]=4 49 B16R1.18212 CC(=O)OCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000076356 [0,0,0,0,0,1|2,0,1]=4 50 B13R1.405 CNCC(C(=O)O)c1ccccc1 269956a_100000722792_200000210301 [2,0,0,0,0,0|1,0,1]=4 51 B13R1.405 [13CH3]NCC(C(=O)O)c1ccccc1 269956a_100000722792_200025704644 [2,0,0,0,0,0|1,0,1]=4 52 B15R1.158 CCOCC(C(=O)OC)c1ccccc1 34a_100000093338_100000210202 [1,1,0,0,0,0|1,0,1]=4 53 B15R1.158 CCOCC(C(=O)OC)c1ccccc1 7a_100000093338_100000210202 [1,1,0,0,0,0|1,0,1]=4 54 B15R1.158 COC(=O)C(COCF)c1ccccc1 34a_100000093338_100015361967 [1,1,0,0,0,0|1,0,1]=4 55 B15R1.158 COC(=O)C(COCF)c1ccccc1 7a_100000093338_100015361967 [1,1,0,0,0,0|1,0,1]=4 56 B15R1.3474 C/C=C/CNC(C(=O)O)c1ccccc1 269956a_100000230147_100102629194 [1,1,0,0,0,0|2,0,0]=4 57 B15R1.3474 C=CCCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000754431 [1,1,0,0,0,0|2,0,0]=4 58 B15R1.3474 C=CCNCC(C(=O)O)c1ccccc1 269956a_100000722792_100000210623 [1,1,0,0,0,0|2,0,0]=4 59 B15R1.3474 CCOCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000739092 [1,1,0,0,0,0|1,0,1]=4 60 B15R1.3474 COCNCC(C(=O)O)c1ccccc1 269956a_100000722792_100000766300 [1,1,0,0,0,0|1,0,1]=4 61 B15R1.3474 O=C(O)C(CNCCO)c1ccccc1 269956a_100000722792_100000211926 [1,1,0,0,0,0|1,0,1]=4 62 B15R1.3474 O=C(O)C(NCCCO)c1ccccc1 269956a_100000230147_100011215043 [1,1,0,0,0,0|1,0,1]=4 63 B15R1.3474 O=CCNCC(C(=O)O)c1ccccc1 269956a_100000722792_200015260668 [1,1,0,0,0,0|1,0,1]=4 64 B17R1.7980 C=C(C)COCC(C(=O)OC)c1ccccc1 34a_100000093338_100000748629 [0,1,0,0,0,1|2,0,0]=4 65 B17R1.7980 C=C(C)COCC(C(=O)OC)c1ccccc1 7a_100000093338_100000748629 [0,1,0,0,0,1|2,0,0]=4 66 B17R1.7980 C=C(F)COCC(C(=O)OC)c1ccccc1 34a_100000093338_100009893438 [0,1,0,0,0,1|2,0,0]=4 67 B17R1.7980 C=C(F)COCC(C(=O)OC)c1ccccc1 7a_100000093338_100000042424 [0,1,0,0,0,1|2,0,0]=4 68 B17R1.7980 COC(=O)C(COCC(=O)N)c1ccccc1 34a_100000093338_100000187820 [0,1,0,0,0,1|0,0,2]=4 69 B17R1.7980 COC(=O)C(COCC(=O)N)c1ccccc1 7a_100000093338_100000187820 [0,1,0,0,0,1|0,0,2]=4 70 B17R1.7980 COC(=O)C(COCC(=O)[O-])c1ccccc1 34a_100000093338_100020667443 [0,1,0,0,0,1|1,0,1]=4 71 B17R1.7980 COC(=O)C(COCC(C)O)c1ccccc1 34a_100000093338_100011218427 [0,1,0,0,0,1|1,0,1]=4 72 B17R1.7980 COC(=O)C(COCC(C)O)c1ccccc1 7a_100000093338_100011218427 [0,1,0,0,0,1|1,0,1]=4 73 B17R1.7980 COC(=O)C(COC[C@@H](C)O)c1ccccc1 34a_100000093338_100009817552 [0,1,0,0,0,1|1,0,1]=4 74 B17R1.7980 COC(=O)C(COC[C@@H](C)O)c1ccccc1 7a_100000093338_100009817552 [0,1,0,0,0,1|1,0,1]=4 75 B17R1.7980 COC(=O)C(NOCC(=O)O)c1ccccc1 269956a_100000106656_100000754950 [0,1,0,0,0,1|2,0,0]=4 76 B17R1.7980 COC(=O)C(SCOC(=O)C)c1ccccc1 62a_100000076356_100000754950 [0,1,0,0,0,1|1,0,1]=4 77 B17R1.7980 COC(=O)C(SCOC(=O)C)c1ccccc1 62a_100000754950_100000076356 [0,1,0,0,0,1|1,0,1]=4 78 B17R1.7980 COC(=O)[C@H](OCOC(=O)C)c1ccccc1 34a_100009815907_100009813279 [0,1,0,0,0,1|1,0,1]=4 79 B17R1.8839 CC(=O)OCNC(C(=O)O)c1cccc(c1)Br 269956a_100025717458_100000076356 [0,1,0,0,0,1|1,0,1]=4 80 B17R1.8839 CC(=O)OCNC(C(=O)O)c1cccc(c1)C 269956a_100015207286_100000076356 [0,1,0,0,0,1|1,0,1]=4 81 B17R1.8839 CC(=O)OCNC(C(=O)O)c1cccc(c1)Cl 269956a_100000752362_100000076356 [0,1,0,0,0,1|1,0,1]=4 82 B17R1.8839 CC(=O)OCNC(C(=O)O)c1cccc(c1)F 269956a_100000752392_100000076356 [0,1,0,0,0,1|1,0,1]=4 83 B17R1.8982 CC(=O)OCNC(C(=O)O)c1ccccc1Br 269956a_100000744630_100000076356 [0,1,0,0,0,1|1,0,1]=4 84 B17R1.8982 CC(=O)OCNC(C(=O)O)c1ccccc1C 269956a_100011223803_100000076356 [0,1,0,0,0,1|1,0,1]=4 85 B17R1.8982 CC(=O)OCNC(C(=O)O)c1ccccc1F 269956a_100138411467_100000076356 [0,1,0,0,0,1|1,0,1]=4 86 B17R1.8982 CC(=O)OCN[C@H](C(=O)O)c1ccccc1Cl 269956a_100009815989_100000076356 [0,1,0,0,0,1|1,0,1]=4 87 B17R1.23527 CC(=O)OCNC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_100000076356 [0,1,0,0,0,1|1,0,1]=4 88 B17R1.23527 CC(=O)OCNC(C(=O)O)c1ccc(cc1)C 269956a_100138412518_100000076356 [0,1,0,0,0,1|1,0,1]=4 89 B17R1.23527 CC(=O)OCNC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_100000076356 [0,1,0,0,0,1|1,0,1]=4 90 B17R1.23527 CC(=O)OCNC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_100000076356 [0,1,0,0,0,1|1,0,1]=4 91 B17R1.24985 COC(=O)CCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000204255 [0,1,0,0,0,1|2,0,0]=4 92 B17R1.24985 COC(=O)CNCC(C(=O)O)c1ccccc1 269956a_100000722792_100000747449 [0,1,0,0,0,1|2,0,0]=4 93 B17R1.24985 COC(=O)OCSC(C(=O)C)c1ccccc1 62a_100009888967_100000139417 [0,1,0,0,0,1|2,0,0]=4 94 B17R1.24985 COC(=O)OCSC(C(=O)N)c1ccccc1 62a_100000188848_100000139417 [0,1,0,0,0,1|2,0,0]=4 95 B17R1.62084 CC(=O)OC(C)NC(C(=O)O)c1ccccc1 269956a_100000230147_100009818208 [0,1,0,0,0,1|1,0,1]=4 96 B17R1.18482 CC(=O)OCC(C(=O)CCO)c1ccccc1 1458a_200010206951_100000211926 [0,2,0,0,0,0|1,0,1]=4 97 B17R1.26834 COC(=O)C(COC(C)CO)c1ccccc1 34a_100000093338_100012180447 [0,2,0,0,0,0|1,0,1]=4 98 B17R1.26834 COC(=O)C(COC(C)CO)c1ccccc1 7a_100000093338_100012180447 [0,2,0,0,0,0|1,0,1]=4 99 B17R2.18617 NC(=O)C(c1ccccc1)c2noc(n2)O 270196a_100011767690_100015183105 [0,0,0,1,0,1|1,0,1]=4 100 B17R1.16296 CC(=O)OCCNC(C(=O)O)c1ccccc1 269956a_100000230147_100009814007 [0,0,0,0,0,2|1,0,1]=4 101 B17R1.16296 CC(=O)OCNCC(C(=O)O)c1ccccc1 269956a_100000722792_100000076356 [0,0,0,0,0,2|1,0,1]=4 102 B17R1.16610 CC(=O)OCN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_100000076356 [0,0,0,0,0,2|1,0,1]=4