0 B16R2.3356 CC(=O)CCN1Cc2ccccc2C1=O 1458a_100000721835_200000210301 [0,0,0,0,0,0|3,0,0]=3 1 B16R2.3356 CC(=O)CCn1nc2ccccn2c1=O 1458a_100000070787_200000736933 [0,0,0,0,0,0|1,0,0]=1 2 B16R2.3356 CC(=O)CCn1sc2ccccc2c1=O 1458a_100000721913_200000210301 [0,0,0,0,0,0|3,0,0]=3 3 B16R2.3356 CN(C)CCn1nc2ccccn2c1=O 2230a_100102631434_200000736933 [0,0,0,0,0,0|3,0,0]=3 4 B16R2.3356 CN(C)CCn1nc2ccccn2c1=O 269982a_100102631434_200000736933 [0,0,0,0,0,0|3,0,0]=3 5 B16R2.3356 O=C(O)CNC1Cc2ccccc2C1=O 269956a_100016091260_100011218503 [0,0,0,0,0,0|4,0,0]=4 6 B16R2.3356 [13CH3]C(=O)CCN1Cc2ccccc2C1=O 1458a_100000721835_200025704644 [0,0,0,0,0,0|3,0,0]=3 7 B16R2.3356 [13CH3]C(=O)CCn1sc2ccccc2c1=O 1458a_100000721913_200025704644 [0,0,0,0,0,0|3,0,0]=3 8 B15R2.89 CNCCn1nc2ccccn2c1=O 2230a_106832991635_200000736933 [1,0,0,0,0,0|2,0,0]=3 9 B15R2.89 CNCCn1nc2ccccn2c1=O 7a_106832991635_200000736933 [1,0,0,0,0,0|2,0,0]=3 10 B15R2.89 CSCCn1nc2ccccn2c1=O 62a_200000210301_200000736933 [1,0,0,0,0,0|2,0,0]=3 11 B15R2.89 [13CH3]SCCn1nc2ccccn2c1=O 62a_200025704644_200000736933 [1,0,0,0,0,0|2,0,0]=3 12 B15R2.1660 CC(=O)CCc1cn2ccccc2n1 1458a_200011935298_200000210301 [1,0,0,0,0,0|2,0,0]=3 13 B15R2.1660 CC(=O)NCc1cn2ccccc2n1 1626a_100000195574_100015343762 [1,0,0,0,0,0|3,0,0]=4 14 B15R2.1660 CC(=O)NCc1cn2ccccc2n1 240690a_100000195574_100015343762 [1,0,0,0,0,0|3,0,0]=4 15 B15R2.1660 CC(=O)NCc1cn2ccccc2n1 527a_100000195574_100103153847 [1,0,0,0,0,0|3,0,0]=4 16 B15R2.1660 NC(=O)CSc1cn2ccccc2n1 62a_100000747473_100009819586 [1,0,0,0,0,0|3,0,0]=4 17 B15R2.1660 O=C([O-])CSc1cn2ccccc2n1 62a_100020667443_100009819586 [1,0,0,0,0,0|2,0,1]=4 18 B15R2.1660 [13CH3]C(=O)CCc1cn2ccccc2n1 1458a_200011935298_200025704644 [1,0,0,0,0,0|2,0,0]=3 19 B17R2.547 C#CC(=O)CCn1nc2ccccn2c1=O 1458a_100000211873_200000736933 [0,1,0,0,0,0|1,0,0]=2 20 B17R2.547 C=CC(=O)CCn1nc2ccccn2c1=O 1458a_100000185746_200000736933 [0,1,0,0,0,0|1,0,0]=2 21 B17R2.547 CCC(=O)CCN1Cc2ccccc2C1=O 1458a_100000721835_100000210202 [0,1,0,0,0,0|3,0,0]=4 22 B17R2.547 CCC(=O)CCn1nc2ccccn2c1=O 1458a_100000210414_200000736933 [0,1,0,0,0,0|1,0,0]=2 23 B17R2.547 CCC(=O)CCn1sc2ccccc2c1=O 1458a_100000721913_100000210202 [0,1,0,0,0,0|3,0,0]=4 24 B17R2.547 CCN(C)CCn1nc2ccccn2c1=O 2230a_100000225621_200000736933 [0,1,0,0,0,0|3,0,0]=4 25 B17R2.547 CCN(C)CCn1nc2ccccn2c1=O 269982a_100000225621_200000736933 [0,1,0,0,0,0|3,0,0]=4 26 B17R2.547 CNC(=O)CCN1Cc2ccccc2C1=O 11a_106832991635_100000721835 [0,1,0,0,0,0|3,0,0]=4 27 B17R2.547 CNC(=O)CCN1Cc2ccccc2C1=O 1626a_100102657272_100000721835 [0,1,0,0,0,0|3,0,0]=4 28 B17R2.547 CNC(=O)CCN1Cc2ccccc2C1=O 240690a_100102657272_100000721835 [0,1,0,0,0,0|3,0,0]=4 29 B17R2.547 CNC(=O)CCN1Cc2ccccc2C1=O 527a_100102657272_100000721835 [0,1,0,0,0,0|3,0,0]=4 30 B17R2.547 CNC(=O)CCn1sc2ccccc2c1=O 11a_106832991635_100000721913 [0,1,0,0,0,0|3,0,0]=4 31 B17R2.547 CNC(=O)CCn1sc2ccccc2c1=O 1626a_100102657272_100000721913 [0,1,0,0,0,0|3,0,0]=4 32 B17R2.547 CNC(=O)CCn1sc2ccccc2c1=O 240690a_100102657272_100000721913 [0,1,0,0,0,0|3,0,0]=4 33 B17R2.547 CNC(=O)CCn1sc2ccccc2c1=O 527a_100102657272_100000721913 [0,1,0,0,0,0|3,0,0]=4 34 B17R2.547 O=C(CF)CCN1Cc2ccccc2C1=O 1458a_100000721835_100015361967 [0,1,0,0,0,0|3,0,0]=4 35 B17R2.547 O=C(CF)CCn1sc2ccccc2c1=O 1458a_100000721913_100015361967 [0,1,0,0,0,0|3,0,0]=4 36 B17R2.547 O=C(CO)CCn1nc2ccccn2c1=O 1458a_100000210174_200000736933 [0,1,0,0,0,0|0,0,0]=1 37 B17R2.26429 C=C1c2ccccc2C(=O)N1CCC(=O)C 1458a_100000241004_200000210301 [0,1,0,0,0,0|3,0,0]=4 38 B17R2.26429 C=C1c2ccccc2C(=O)N1CCC(=O)[13CH3] 1458a_100000241004_200025704644 [0,1,0,0,0,0|3,0,0]=4 39 B17R2.26429 CC(=O)CCN1C(=O)c2ccccc2C1=O 1458a_100000070787_100000185391 [0,1,0,0,0,0|3,0,0]=4 40 B17R2.26429 CC(=O)CCN1C(=O)c2ccccc2C1=O 1458a_100000180851_200000210301 [0,1,0,0,0,0|3,0,0]=4 41 B17R2.26429 [13CH3]C(=O)CCN1C(=O)c2ccccc2C1=O 1458a_100000180851_200025704644 [0,1,0,0,0,0|3,0,0]=4 42 B15R1.84 O=Cc1ccccc1CNOCC(=O)O 269956a_100000106656_200009853537 [0,0,1,0,0,0|3,0,0]=4 43 B15R1.1078 CN(CCC(=O)N)C(=O)c1ccccc1 11a_100000730477_100000185807 [0,0,1,0,0,0|3,0,0]=4 44 B15R1.1078 CN(CCC(=O)N)C(=O)c1ccccc1 240690a_100000730477_100000185807 [0,0,1,0,0,0|3,0,0]=4 45 B15R1.1078 CN(CCC(=O)N)C(=O)c1ccccc1 527a_100000730477_100000185807 [0,0,1,0,0,0|3,0,0]=4 46 B15R1.8019 CC(=O)CCNC(=O)c1ccccc1C 1458a_100000195313_200000210301 [0,0,1,0,0,0|3,0,0]=4 47 B15R1.8019 CC(=O)CCNC(=O)c1ccccc1Cl 1458a_100000182440_200000210301 [0,0,1,0,0,0|3,0,0]=4 48 B15R1.8019 Cc1ccccc1C(=O)NCCC(=O)N 11a_100000740010_100000212026 [0,0,1,0,0,0|3,0,0]=4 49 B15R1.8019 Cc1ccccc1C(=O)NCCC(=O)N 240690a_100000740010_100000212026 [0,0,1,0,0,0|3,0,0]=4 50 B15R1.8019 Cc1ccccc1C(=O)NCCC(=O)N 527a_100000740010_100000212026 [0,0,1,0,0,0|3,0,0]=4 51 B15R1.8019 Cc1ccccc1C(=O)NCCC(=O)[13CH3] 1458a_100000195313_200025704644 [0,0,1,0,0,0|3,0,0]=4 52 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1Br 11a_100000740010_100000188424 [0,0,1,0,0,0|3,0,0]=4 53 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1Br 240690a_100000740010_100000188424 [0,0,1,0,0,0|3,0,0]=4 54 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1Br 527a_100000740010_100000188424 [0,0,1,0,0,0|3,0,0]=4 55 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1Cl 11a_100000740010_100000185844 [0,0,1,0,0,0|3,0,0]=4 56 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1Cl 240690a_100000740010_100000185844 [0,0,1,0,0,0|3,0,0]=4 57 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1Cl 527a_100000740010_100000185844 [0,0,1,0,0,0|3,0,0]=4 58 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1F 11a_100000740010_100000188656 [0,0,1,0,0,0|3,0,0]=4 59 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1F 240690a_100000740010_100000188656 [0,0,1,0,0,0|3,0,0]=4 60 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1F 527a_100000740010_100000188656 [0,0,1,0,0,0|3,0,0]=4 61 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1I 11a_100000740010_100000187884 [0,0,1,0,0,0|3,0,0]=4 62 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1I 240690a_100000740010_100000187884 [0,0,1,0,0,0|3,0,0]=4 63 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1I 527a_100000740010_100000187884 [0,0,1,0,0,0|3,0,0]=4 64 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1O 240690a_100000740010_100015234032 [0,0,1,0,0,0|3,0,0]=4 65 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1[O-] 240690a_100000740010_100009911694 [0,0,1,0,0,0|3,0,0]=4 66 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1[O-] 527a_100000740010_100009911694 [0,0,1,0,0,0|3,0,0]=4 67 B15R1.8019 [13CH3]C(=O)CCNC(=O)c1ccccc1Cl 1458a_100000182440_200025704644 [0,0,1,0,0,0|3,0,0]=4 68 B15R2.629 CC(=O)CN1Cc2ccccc2C1=O 1458a_100000752569_200000210301 [0,0,0,0,1,0|3,0,0]=4 69 B15R2.629 [13CH3]C(=O)CN1Cc2ccccc2C1=O 1458a_100000752569_200025704644 [0,0,0,0,1,0|3,0,0]=4 70 B17R2.4043 CC(=O)CCCN1Cc2ccccc2C1=O 1458a_100011327285_200000210301 [0,0,0,0,0,1|3,0,0]=4 71 B17R2.4043 CC(C)NCCn1nc2ccccn2c1=O 2230a_100138425928_200000736933 [0,0,0,0,0,1|2,0,1]=4 72 B17R2.4043 CC(C)SCCn1nc2ccccn2c1=O 62a_100000210206_200000736933 [0,0,0,0,0,1|2,0,1]=4 73 B17R2.4043 [13CH3]C(=O)CCCN1Cc2ccccc2C1=O 1458a_100011327285_200025704644 [0,0,0,0,0,1|3,0,0]=4 74 B17R2.5006 CC(=O)CCc1nc2ccccc2[nH]c1=O 1458a_100000010020_200000210301 [0,0,0,0,0,1|3,0,0]=4 75 B17R2.5006 [13CH3]C(=O)CCc1nc2ccccc2[nH]c1=O 1458a_100000010020_200025704644 [0,0,0,0,0,1|3,0,0]=4 76 B17R2.40403 CC(=O)CCc1nc2ccccc2c(=O)[nH]1 1458a_100000182978_200000210301 [0,0,0,0,0,1|3,0,0]=4 77 B17R2.40403 NC(=O)COc1cc(=O)n2ccccc2n1 34a_100000751361_100000187820 [0,0,0,0,0,1|3,0,0]=4 78 B17R2.40403 NC(=O)CSc1cc(=O)n2ccccc2n1 62a_100000747473_100000707704 [0,0,0,0,0,1|3,0,0]=4 79 B17R2.40403 O=C([O-])COc1cc(=O)n2ccccc2n1 34a_100000751361_100020667443 [0,0,0,0,0,1|2,0,1]=4 80 B17R2.40403 O=C([O-])CSc1cc(=O)n2ccccc2n1 62a_100020667443_100000707704 [0,0,0,0,0,1|2,0,1]=4 81 B17R2.40403 [13CH3]C(=O)CCc1nc2ccccc2c(=O)[nH]1 1458a_100000182978_200025704644 [0,0,0,0,0,1|3,0,0]=4 82 B17R2.155580 CC(=O)CCn1cnc2ccccc2c1=O 1458a_100000070787_200000757059 [0,0,0,0,0,1|2,0,0]=3 83 B17R2.155580 CC(=O)CCn1cnc2ccccc2c1=O 1458a_100000234353_200000210301 [0,0,0,0,0,1|2,0,0]=3 84 B17R2.155580 CC(=O)CCn1nnc2ccccc2c1=O 1458a_100000230374_200000210301 [0,0,0,0,0,1|2,0,0]=3 85 B17R2.155580 [13CH3]C(=O)CCn1cnc2ccccc2c1=O 1458a_100000234353_200025704644 [0,0,0,0,0,1|2,0,0]=3 86 B17R2.155580 [13CH3]C(=O)CCn1nnc2ccccc2c1=O 1458a_100000230374_200025704644 [0,0,0,0,0,1|2,0,0]=3 87 B14R1.420 CC(=O)CCNC(=O)c1ccccc1 1458a_100000070787_200011215302 [1,0,1,0,0,0|2,0,0]=4 88 B14R1.420 CC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_200000210301 [1,0,1,0,0,0|2,0,0]=4 89 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 11a_100000740010_100000185807 [1,0,1,0,0,0|2,0,0]=4 90 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 240690a_100000740010_100000185807 [1,0,1,0,0,0|2,0,0]=4 91 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 527a_100000740010_100000185807 [1,0,1,0,0,0|2,0,0]=4 92 B14R1.420 [13CH3]C(=O)CCNC(=O)c1ccccc1 1458a_100000182757_200025704644 [1,0,1,0,0,0|2,0,0]=4 93 B14R2.67 O=CCSc1cn2ccccc2n1 62a_200015260668_100009819586 [2,0,0,0,0,0|2,0,0]=4 94 B16R1.3911 CC(CNCc1ccccc1C=O)C(=O)O 269956a_100000749485_200009853537 [0,1,1,0,0,0|2,0,0]=4 95 B16R1.3911 O=Cc1ccccc1CNCC(F)C(=O)O 269956a_100000084737_200009853537 [0,1,1,0,0,0|2,0,0]=4 96 B16R1.2925 COC(=O)CCN(C)C(=O)c1ccccc1 11a_100025711912_100000185807 [0,1,1,0,0,0|2,0,0]=4 97 B16R1.2925 COC(=O)CCN(C)C(=O)c1ccccc1 1626a_100025711912_100000185807 [0,1,1,0,0,0|2,0,0]=4 98 B16R1.2925 COC(=O)CCN(C)C(=O)c1ccccc1 240690a_100025711912_100000185807 [0,1,1,0,0,0|2,0,0]=4 99 B16R1.2925 COC(=O)CCN(C)C(=O)c1ccccc1 527a_100025711912_100000185807 [0,1,1,0,0,0|2,0,0]=4 100 B16R1.16971 COC(=O)CCNC(=O)c1ccccc1Br 188690a_100000683876_100000188424 [0,1,1,0,0,0|2,0,0]=4 101 B16R1.16971 COC(=O)CCNC(=O)c1ccccc1C 188690a_100000683876_100000212026 [0,1,1,0,0,0|2,0,0]=4 102 B16R1.16971 COC(=O)CCNC(=O)c1ccccc1Cl 188690a_100000683876_100000185844 [0,1,1,0,0,0|2,0,0]=4 103 B16R1.16971 COC(=O)CCNC(=O)c1ccccc1I 188690a_100000683876_100000187884 [0,1,1,0,0,0|2,0,0]=4 104 B16R1.16971 COC(=O)CCNC(=O)c1ccccc1O 188690a_100000683876_100015234032 [0,1,1,0,0,0|2,0,0]=4 105 B16R1.16971 COC(=O)CCNC(=O)c1ccccc1[O-] 188690a_100000683876_100009911694 [0,1,1,0,0,0|2,0,0]=4 106 B16R2.2272 CCNCCn1nc2ccccn2c1=O 2230a_100015525214_200000736933 [1,1,0,0,0,0|1,0,1]=4 107 B16R2.2272 CCSCCn1nc2ccccn2c1=O 62a_100000210202_200000736933 [1,1,0,0,0,0|1,0,1]=4 108 B16R2.2272 O=c1n(nc2n1cccc2)CCSCF 62a_100015361967_200000736933 [1,1,0,0,0,0|1,0,1]=4 109 B16R2.1181 CCC(=O)CCc1cn2ccccc2n1 1458a_200011935298_100000210202 [1,1,0,0,0,0|2,0,0]=4 110 B16R2.1181 CNC(=O)CCc1cn2ccccc2n1 240690a_100102657272_200011935298 [1,1,0,0,0,0|2,0,0]=4 111 B16R2.1181 CNC(=O)CCc1cn2ccccc2n1 527a_100102657272_200011935298 [1,1,0,0,0,0|2,0,0]=4 112 B16R2.1181 COC(=O)CSc1cn2ccccc2n1 62a_100000747449_100009819586 [1,1,0,0,0,0|2,0,0]=4 113 B16R2.1181 O=C(CF)CCc1cn2ccccc2n1 1458a_200011935298_100015361967 [1,1,0,0,0,0|2,0,0]=4 114 B16R2.1181 O=C(CO)NCc1cn2ccccc2n1 240690a_100000195574_100000210174 [1,1,0,0,0,0|2,0,0]=4 115 B16R2.1181 O=C(CO)NCc1cn2ccccc2n1 527a_100000195574_100000210174 [1,1,0,0,0,0|2,0,0]=4 116 B18R2.4837 C=C(C)C(=O)CCn1nc2ccccn2c1=O 1458a_100000185857_200000736933 [0,1,0,0,0,1|2,0,0]=4 117 B18R2.4837 C[C@@H](O)C(=O)CCn1nc2ccccn2c1=O 1458a_100000717761_200000736933 [0,1,0,0,0,1|1,0,1]=4 118 B18R2.4837 C[C@H](O)C(=O)CCn1nc2ccccn2c1=O 1458a_217856618621_200000736933 [0,1,0,0,0,1|1,0,1]=4 119 B18R2.4837 O=C(CCn1nc2ccccn2c1=O)C(O)O 1458a_100000233687_200000736933 [0,1,0,0,0,1|0,0,2]=4 120 B18R2.9962 CC(CO)SCCn1nc2ccccn2c1=O 62a_100012180447_200000736933 [0,1,0,0,0,1|1,0,1]=4 121 B18R2.9962 COC(C)SCCn1nc2ccccn2c1=O 62a_100009879195_200000736933 [0,1,0,0,0,1|1,0,1]=4 122 B18R2.9962 C[C@H](CO)NCCn1nc2ccccn2c1=O 2230a_100000737577_200000736933 [0,1,0,0,0,1|1,0,1]=4 123 B18R2.9962 C[C@H](CO)SCCn1nc2ccccn2c1=O 62a_100016084084_200000736933 [0,1,0,0,0,1|1,0,1]=4 124 B18R2.42333 O=C(O)CNCN1C(=O)c2ccccc2C1=O 269956a_100016091260_100000211781 [0,1,0,0,0,1|2,0,0]=4 125 B18R2.10151 COC(=O)COc1cc(=O)n2ccccc2n1 34a_100000751361_100000747449 [0,1,0,0,0,1|2,0,0]=4 126 B18R2.10151 COC(=O)CSc1cc(=O)n2ccccc2n1 62a_100000747449_100000707704 [0,1,0,0,0,1|2,0,0]=4 127 B18R2.9347 C#CC(=O)CCn1cnc2ccccc2c1=O 1458a_100000211873_200000757059 [0,1,0,0,0,1|2,0,0]=4 128 B18R2.9347 C=CC(=O)CCn1cnc2ccccc2c1=O 1458a_100000185746_200000757059 [0,1,0,0,0,1|2,0,0]=4 129 B18R2.9347 CCC(=O)CCn1cnc2ccccc2c1=O 1458a_100000210414_200000757059 [0,1,0,0,0,1|2,0,0]=4 130 B18R2.9347 CCC(=O)CCn1cnc2ccccc2c1=O 1458a_100000234353_100000210202 [0,1,0,0,0,1|2,0,0]=4 131 B18R2.9347 CCC(=O)CCn1nnc2ccccc2c1=O 1458a_100000230374_100000210202 [0,1,0,0,0,1|2,0,0]=4 132 B18R2.9347 CNC(=O)CCn1cnc2ccccc2c1=O 11a_106832991635_100000234353 [0,1,0,0,0,1|2,0,0]=4 133 B18R2.9347 CNC(=O)CCn1cnc2ccccc2c1=O 240690a_100102657272_100000234353 [0,1,0,0,0,1|2,0,0]=4 134 B18R2.9347 CNC(=O)CCn1cnc2ccccc2c1=O 527a_100102657272_100000234353 [0,1,0,0,0,1|2,0,0]=4 135 B18R2.9347 CNC(=O)CCn1nnc2ccccc2c1=O 11a_106832991635_100000230374 [0,1,0,0,0,1|2,0,0]=4 136 B18R2.9347 CNC(=O)CCn1nnc2ccccc2c1=O 1626a_100102657272_100000230374 [0,1,0,0,0,1|2,0,0]=4 137 B18R2.9347 CNC(=O)CCn1nnc2ccccc2c1=O 240690a_100102657272_100000230374 [0,1,0,0,0,1|2,0,0]=4 138 B18R2.9347 CNC(=O)CCn1nnc2ccccc2c1=O 527a_100102657272_100000230374 [0,1,0,0,0,1|2,0,0]=4 139 B18R2.9347 O=C(CF)CCn1cnc2ccccc2c1=O 1458a_100000234353_100015361967 [0,1,0,0,0,1|2,0,0]=4 140 B18R2.9347 O=C(CF)CCn1nnc2ccccc2c1=O 1458a_100000230374_100015361967 [0,1,0,0,0,1|2,0,0]=4 141 B18R2.9347 O=C(CO)CCn1cnc2ccccc2c1=O 1458a_100000210174_200000757059 [0,1,0,0,0,1|1,0,0]=3 142 B18R2.2003 C#CCC(=O)CCn1nc2ccccn2c1=O 1458a_100011220946_200000736933 [0,2,0,0,0,0|1,0,0]=3 143 B18R2.2003 C=CCC(=O)CCn1nc2ccccn2c1=O 1458a_100000210193_200000736933 [0,2,0,0,0,0|1,0,0]=3 144 B18R2.2003 CC#CC(=O)CCn1nc2ccccn2c1=O 1458a_100000763181_200000736933 [0,2,0,0,0,0|1,0,0]=3 145 B18R2.2003 CC=CC(=O)CCn1nc2ccccn2c1=O 1458a_100000210699_200000736933 [0,2,0,0,0,0|1,0,0]=3 146 B18R2.2003 CCCC(=O)CCn1nc2ccccn2c1=O 1458a_100000211992_200000736933 [0,2,0,0,0,0|1,0,0]=3 147 B18R2.2003 CN(CCO)CCn1nc2ccccn2c1=O 2230a_100000210263_200000736933 [0,2,0,0,0,0|2,0,0]=4 148 B18R2.2003 CN(CCO)CCn1nc2ccccn2c1=O 269982a_100000210263_200000736933 [0,2,0,0,0,0|2,0,0]=4 149 B18R2.2003 COCC(=O)CCn1nc2ccccn2c1=O 1458a_100000210968_200000736933 [0,2,0,0,0,0|0,0,0]=2 150 B18R2.2003 CSCC(=O)CCn1nc2ccccn2c1=O 1458a_100000184570_200000736933 [0,2,0,0,0,0|0,1,0]=3 151 B18R2.2003 N#CCC(=O)CCn1nc2ccccn2c1=O 1458a_100051588842_200000736933 [0,2,0,0,0,0|1,0,0]=3 152 B18R2.2003 O=C(C=CBr)CCn1nc2ccccn2c1=O 1458a_100016273825_200000736933 [0,2,0,0,0,0|1,0,0]=3 153 B18R2.2003 O=C(C=CCl)CCn1nc2ccccn2c1=O 1458a_200016279998_200000736933 [0,2,0,0,0,0|1,0,0]=3 154 B18R2.2003 O=C(C=CI)CCn1nc2ccccn2c1=O 1458a_100016256311_200000736933 [0,2,0,0,0,0|1,0,0]=3 155 B18R2.2003 O=C(CCO)CCN1Cc2ccccc2C1=O 1458a_100000721835_100000211926 [0,2,0,0,0,0|2,0,0]=4 156 B18R2.2003 O=C(CCO)CCn1nc2ccccn2c1=O 1458a_100011216618_200000736933 [0,2,0,0,0,0|0,0,0]=2 157 B18R2.2003 O=C(CCO)CCn1sc2ccccc2c1=O 1458a_100000721913_100000211926 [0,2,0,0,0,0|2,0,0]=4 158 B18R2.101788 O=C(CO)CCN1C(=O)c2ccccc2C1=O 1458a_100000210174_100000185391 [0,2,0,0,0,0|2,0,0]=4 159 B16R2.4003 CC(=O)CCn1c(=O)[nH]c2c1cccc2 1458a_100000070787_203549783246 [0,0,1,1,0,0|2,0,0]=4 160 B14R1.96 O=Cc1ccccc1CNCC(=O)O 269956a_100016091260_200009853537 [0,0,1,0,1,0|2,0,0]=4 161 B14R2.768 CC(=O)Cc1cn2ccccc2n1 1458a_100000070787_100000689847 [1,0,0,0,1,0|2,0,0]=4 162 B14R2.768 CC(=O)Cn1cc2ccccc2n1 1458a_100000060251_200000210301 [1,0,0,0,1,0|2,0,0]=4 163 B14R2.768 [13CH3]C(=O)Cn1cc2ccccc2n1 1458a_100000060251_200025704644 [1,0,0,0,1,0|2,0,0]=4 164 B16R1.7414 NC(=O)CCNC(=O)Cn1ccccc1=O 240690a_100000740010_100000189665 [0,0,1,0,0,1|2,0,0]=4 165 B16R1.7414 NC(=O)CCNC(=O)Cn1ccccc1=O 527a_100000740010_100000189665 [0,0,1,0,0,1|2,0,0]=4 166 B16R2.1054 O=CCOc1cc(=O)n2ccccc2n1 34a_100000751361_200009817547 [1,0,0,0,0,1|2,0,0]=4 167 B16R2.1054 O=CCSc1cc(=O)n2ccccc2n1 62a_200015260668_100000707704 [1,0,0,0,0,1|2,0,0]=4 168 B16R2.492 CC(=O)CCSc1cn2ccccc2n1 62a_100000053229_100009819586 [1,0,0,0,0,1|2,0,0]=4 169 B16R2.492 CC(=O)COCc1cn2ccccc2n1 34a_100000211253_100000689847 [1,0,0,0,0,1|2,0,0]=4 170 B16R2.492 CC(=O)NCCc1cn2ccccc2n1 11a_100000689867_100015343762 [1,0,0,0,0,1|2,0,0]=4 171 B16R2.492 CC(=O)NCCc1cn2ccccc2n1 1626a_100000689867_100015343762 [1,0,0,0,0,1|2,0,0]=4 172 B16R2.492 CC(=O)NCCc1cn2ccccc2n1 240690a_100000689867_100015343762 [1,0,0,0,0,1|2,0,0]=4 173 B16R2.492 CC(=O)NCCc1cn2ccccc2n1 527a_100000689867_100103153847 [1,0,0,0,0,1|2,0,0]=4 174 B16R2.492 NC(=O)CCSc1cn2ccccc2n1 62a_100000744528_100009819586 [1,0,0,0,0,1|2,0,0]=4 175 B16R2.492 NC(=O)CNCc1cn2ccccc2n1 2230a_100000711301_100000689847 [1,0,0,0,0,1|2,0,0]=4 176 B16R2.492 NC(=O)CSCc1cn2ccccc2n1 62a_100000689847_100000747473 [1,0,0,0,0,1|2,0,0]=4 177 B16R2.492 NC(=O)CSCc1cn2ccccc2n1 62a_100000747473_100000689847 [1,0,0,0,0,1|2,0,0]=4 178 B16R2.492 O=C(O)CNCc1cn2ccccc2n1 269956a_100016091260_100000689847 [1,0,0,0,0,1|1,0,0]=3 179 B16R2.492 O=C(O)CNCc1cn2ccncc2n1 269956a_100016091260_100000089004 [1,0,0,0,0,1|2,0,0]=4 180 B16R2.492 O=C([O-])CSCc1cn2ccccc2n1 62a_100000689847_100020667443 [1,0,0,0,0,1|1,0,1]=4 181 B16R2.492 O=C([O-])CSCc1cn2ccccc2n1 62a_100020667443_100000689847 [1,0,0,0,0,1|1,0,1]=4 182 B18R2.4835 C=C(C)CSCCn1nc2ccccn2c1=O 62a_100000748629_200000736933 [0,0,0,0,0,2|2,0,0]=4 183 B18R2.4835 C=C(F)CSCCn1nc2ccccn2c1=O 62a_100000042424_200000736933 [0,0,0,0,0,2|2,0,0]=4 184 B18R2.4835 CC(O)CNCCn1nc2ccccn2c1=O 2230a_100000210904_200000736933 [0,0,0,0,0,2|1,0,1]=4 185 B18R2.4835 CC(O)CSCCn1nc2ccccn2c1=O 62a_100011218427_200000736933 [0,0,0,0,0,2|1,0,1]=4 186 B18R2.4835 C[C@@H](O)CSCCn1nc2ccccn2c1=O 62a_100009817552_200000736933 [0,0,0,0,0,2|1,0,1]=4 187 B18R2.4835 NC(=O)CNCCn1nc2ccccn2c1=O 2230a_100000711301_200000736933 [0,0,0,0,0,2|1,0,0]=3 188 B18R2.4835 NC(=O)CSCCn1nc2ccccn2c1=O 62a_100000747473_200000736933 [0,0,0,0,0,2|1,0,0]=3 189 B18R2.4835 O=C(O)CNCCn1nc2ccccn2c1=O 269956a_100016091260_200000736933 [0,0,0,0,0,2|0,0,0]=2 190 B18R2.4835 O=C([O-])CSCCn1nc2ccccn2c1=O 62a_100020667443_200000736933 [0,0,0,0,0,2|0,0,1]=3 191 B18R2.6153 O=C(O)CNCc1nc2ccccc2[nH]c1=O 269956a_100016091260_100000736137 [0,0,0,0,0,2|2,0,0]=4 192 B18R2.63530 CC(=O)CCSc1cc(=O)n2ccccc2n1 62a_100000053229_100000707704 [0,0,0,0,0,2|2,0,0]=4 193 B18R2.63530 CC(=O)COCc1cc(=O)n2ccccc2n1 34a_100000211253_100000017730 [0,0,0,0,0,2|2,0,0]=4 194 B18R2.63530 NC(=O)CCNc1cc(=O)n2ccccc2n1 27a_100000740010_100000707704 [0,0,0,0,0,2|2,0,0]=4 195 B18R2.63530 NC(=O)CCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000731001 [0,0,0,0,0,2|2,0,0]=4 196 B18R2.63530 NC(=O)CCSc1cc(=O)n2ccccc2n1 62a_100000744528_100000707704 [0,0,0,0,0,2|2,0,0]=4 197 B18R2.63530 NC(=O)CNCc1cc(=O)n2ccccc2n1 2230a_100000711301_100000017730 [0,0,0,0,0,2|2,0,0]=4 198 B18R2.63530 NC(=O)CSCc1cc(=O)n2ccccc2n1 62a_100000017730_100000747473 [0,0,0,0,0,2|2,0,0]=4 199 B18R2.63530 NC(=O)CSCc1cc(=O)n2ccccc2n1 62a_100000747473_100000017730 [0,0,0,0,0,2|2,0,0]=4 200 B18R2.63530 O=C(O)CNCc1cc(=O)n2ccccc2n1 269956a_100016091260_100000017730 [0,0,0,0,0,2|1,0,0]=3 201 B18R2.63530 O=C(O)CNCc1nc2ccccc2c(=O)[nH]1 269956a_100016091260_100000182789 [0,0,0,0,0,2|2,0,0]=4 202 B18R2.63530 O=C([O-])CSCc1cc(=O)n2ccccc2n1 62a_100000017730_100020667443 [0,0,0,0,0,2|1,0,1]=4 203 B18R2.63530 O=C([O-])CSCc1cc(=O)n2ccccc2n1 62a_100020667443_100000017730 [0,0,0,0,0,2|1,0,1]=4 204 B18R2.282514 CC(=O)CCCn1cnc2ccccc2c1=O 1458a_100000281408_200000210301 [0,0,0,0,0,2|2,0,0]=4 205 B18R2.282514 CC(=O)NCCn1ncc2ccccc2c1=O 11a_100000756700_100015343762 [0,0,0,0,0,2|2,0,0]=4 206 B18R2.282514 CC(=O)NCCn1ncc2ccccc2c1=O 240690a_100000756700_100015343762 [0,0,0,0,0,2|2,0,0]=4 207 B18R2.282514 CC(=O)NCCn1ncc2ccccc2c1=O 527a_100000756700_100103153847 [0,0,0,0,0,2|2,0,0]=4 208 B18R2.282514 [13CH3]C(=O)CCCn1cnc2ccccc2c1=O 1458a_100000281408_200025704644 [0,0,0,0,0,2|2,0,0]=4