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207 SMILES Strings for 15-hydroxyprostaglandin dehydrogenase [NAD+]

Compound NameSMILES String
BDBM26623 Cc1ccc(C=C2SC(O)=NC2=O)cc1 |w:5.4,c:9|
BDBM30884 Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
BDBM60579 Oc1ccc(\C=C2/SC(=O)NC2=O)cc1
BDBM118017 OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCCC2)c(c1)C(F)(F)F |w:7.8,t:1|
BDBM118018 OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCCC2)c(F)c1 |w:7.8,t:1|
BDBM118019 OC1=NC(=O)C(S1)=Cc1cccc(OCCC2CCCCC2)c1Cl |w:7.8,t:1|
BDBM118020 OC1=NC(=O)C(S1)=Cc1ccc(OCC2CCCCO2)cc1 |w:7.8,t:1|
BDBM118021 OCc1ccc(C=C2SC(O)=NC2=O)cc1 |w:6.5,c:10|
BDBM118022 OC1=NC(=O)C(S1)=Cc1ccc(OCC2CCCCC2)cc1 |w:7.8,t:1|
BDBM118023 CC1(COc2ccc(C=C3SC(O)=NC3=O)cc2)CCCCC1 |w:8.7,c:12|
BDBM118024 OC1=NC(=O)C(S1)=Cc1ccc(OC2CCCCC2)cc1 |w:7.8,t:1|
BDBM118025 OC1=NC(=O)C(S1)=Cc1ccc(OCCCC2CCCCC2)cc1 |w:7.8,t:1|
BDBM118026 OC1=NC(=O)C(S1)=Cc1ccc(OCCCCC2CCCCC2)cc1 |w:7.8,t:1|
BDBM118027 OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCCC2)c(c1)[N+]([O-])=O |w:7.8,t:1|
BDBM118028 Nc1cc(C=C2SC(O)=NC2=O)ccc1OCCC1CCCCC1 |w:4.3,c:8|
BDBM118029 Cc1cc(C=C2SC(O)=NC2=O)ccc1OCC1CCCCC1 |w:4.3,c:8|
BDBM118030 Cc1cc(C=C2SC(O)=NC2=O)ccc1OCCCC1CCCCC1 |w:4.3,c:8|
BDBM118031 Cc1cc(C=C2SC(O)=NC2=O)ccc1OCCCCC1CCCCC1 |w:4.3,c:8|
BDBM118032 OC1=NC(=O)C(S1)=Cc1ccc(Oc2ccccc2)cc1 |w:7.8,t:1|
BDBM118033 OC1=NC(=O)C(S1)=Cc1ccc(OCCc2ccccc2)cc1 |w:7.8,t:1|
BDBM118034 OC1=NC(=O)C(S1)=Cc1ccc(OCCCc2ccccc2)cc1 |w:7.8,t:1|
BDBM118035 OC1=NC(=O)C(S1)=Cc1ccc(OCCCCc2ccccc2)cc1 |w:7.8,t:1|
BDBM118011 OC1=NC(=O)C(S1)=Cc1ccc(OCCNC2CCCCC2)cc1 |w:7.8,t:1|
BDBM118012 OCc1cc(C=C2SC(O)=NC2=O)ccc1OCCC1CCCCC1 |w:5.4,c:9|
BDBM118013 Cc1cc(C=C2SC(O)=NC2=O)ccc1OCCC1CCCCC1 |w:4.3,c:8|
BDBM118014 COc1cc(C=C2SC(O)=NC2=O)cc(CO)c1OCCC1CCCCC1 |w:5.4,c:9|
BDBM118015 OC1=NC(=O)C(S1)=Cc1ccc(OCCCC2CCCCC2)c(c1)[N+]([O-])=O |w:7.8,t:1|
BDBM118016 OC1=NC(=S)C(S1)=Cc1ccc(OCCC2CCCCC2)cc1 |w:7.8,t:1|
BDBM118036 CCOc1cc(C=C2SC(O)=NC2=O)ccc1OCCC1CCCCC1 |w:6.5,c:10|
BDBM118037 COc1cc(OCCC2CCCCC2)ccc1C=C1SC(O)=NC1=O |w:17.18,c:23|
BDBM118038 OC1=NC(=O)C(S1)=Cc1ccc(OCC2COc3ccccc3O2)cc1 |w:7.8,t:1|
BDBM118039 OC1=NC(=O)C(S1)=Cc1cccc(OCC2CCCCC2)c1Cl |w:7.8,t:1|
BDBM118040 OC1=NC(=O)C(S1)=Cc1cccc(OCCCC2CCCCC2)c1Cl |w:7.8,t:1|
BDBM118041 CC1CCC(COc2ccc(C=C3SC(O)=NC3=O)cc2C(F)(F)F)CC1 |w:11.10,c:15,(-7.85,-3.21,;-6.52,-2.44,;-6.52,-.9,;-5.19,-.13,;-3.85,-.9,;-2.52,-.13,;-1.18,-.9,;.15,-.13,;1.48,-.9,;2.82,-.13,;2.82,1.41,;4.15,2.18,;5.48,1.41,;5.48,-.13,;6.95,-.61,;7.72,-1.94,;7.85,.64,;6.95,1.88,;7.72,3.21,;1.48,2.18,;.15,1.41,;-1.18,2.18,;-2.52,1.41,;-1.58,3.66,;-2.67,2.57,;-3.85,-2.44,;-5.19,-3.21,)|
BDBM118042 OCC(=O)C1CCC(COc2ccc(C=C3SC(O)=NC3=O)cc2)CC1 |w:14.13,c:18,(-9.19,-2.44,;-7.85,-1.67,;-6.52,-2.44,;-6.52,-3.98,;-5.19,-1.67,;-3.85,-2.44,;-2.52,-1.67,;-2.52,-.13,;-1.18,.64,;.15,-.13,;1.48,.64,;2.82,-.13,;4.15,.64,;4.15,2.18,;5.48,2.95,;6.82,2.18,;6.82,.64,;8.28,.16,;9.05,-1.17,;9.19,1.41,;8.28,2.65,;9.05,3.98,;2.82,2.95,;1.48,2.18,;-3.85,.64,;-5.19,-.13,)|
BDBM118043 OCc1ccc(C=C2SC(O)=NC2=O)cc1OCCC1CCCCC1 |w:6.5,c:10|
BDBM118044 OC1=NC(=O)C(S1)=Cc1cccc(OCc2ccccc2)c1Cl |w:7.8,t:1|
BDBM118045 OC1=NC(=O)C(S1)=Cc1cccc(OCCc2ccccc2)c1Cl |w:7.8,t:1|
BDBM118046 OC1=NC(=O)C(S1)=Cc1cccc(OCCCCc2ccccc2)c1Cl |w:7.8,t:1|
BDBM118047 OC1=NC(=O)C(S1)=Cc1cccc(OCCCc2ccccc2)c1Cl |w:7.8,t:1|
BDBM118048 OC1=NC(=O)C(S1)=Cc1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |w:7.8,t:1|
BDBM118049 OC1=NC(=O)C(S1)=Cc1cc(F)c(OCCC2CCCCC2)c(Cl)c1 |w:7.8,t:1|
BDBM118050 COc1cc(C=C2SC(O)=NC2=O)cc(Cl)c1OCCC1CCCCC1 |w:5.4,c:9|
BDBM118051 OC1=NC(=O)C(S1)=Cc1ccc(c(OCCC2CCCCC2)c1)[N+]([O-])=O |w:7.8,t:1|
BDBM118052 COc1ccc(C=C2SC(O)=NC2=O)c(Cl)c1OCCC1CCCCC1 |w:6.5,c:10|
BDBM118053 OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCCC2)cc1C(F)(F)F |w:7.8,t:1|
BDBM118054 OC1=NC(=O)C(S1)=Cc1ccc(OCCCCC2CCCCC2)c(c1)[N+]([O-])=O |w:7.8,t:1|
BDBM118055 OC1=NC(=O)C(S1)=Cc1cc(OCCC2CCCCC2)ccc1[N+]([O-])=O |w:7.8,t:1|
BDBM118056 COc1cc(C=C2SC(O)=NC2=O)ccc1OCCCC1CCCCC1 |w:5.4,c:9|
BDBM118057 CC(CC1CCC(C)=CC1)Oc1ccc(C=C2SC(O)=NC2=O)cc1 |w:15.15,c:7,20|
BDBM118058 OC1=NC(=O)C(S1)=Cc1ccc(OCCN2CCS(=O)(=O)CC2)c(c1)[N+]([O-])=O |w:7.8,t:1|
BDBM118059 CC1CCC(COc2cccc(C=C3SC(O)=NC3=O)c2Cl)CC1 |w:12.11,c:16,(-7.85,3.21,;-6.52,2.44,;-5.19,3.21,;-3.85,2.44,;-3.85,.9,;-2.52,.13,;-1.18,.9,;.15,.13,;.15,-1.41,;1.48,-2.18,;2.82,-1.41,;2.82,.13,;4.15,.9,;5.48,.13,;5.48,-1.41,;6.95,-1.88,;7.72,-3.21,;7.85,-.64,;6.95,.61,;7.72,1.94,;1.48,.9,;1.48,2.44,;-5.19,.13,;-6.52,.9,)|
BDBM118060 CC(C)OCCOc1cccc(C=C2SC(O)=NC2=O)c1Cl |w:12.11,c:16|
BDBM118061 OC1=NC(=O)C(S1)=Cc1cccc(OCCc2ccccn2)c1Cl |w:7.8,t:1|
BDBM118062 OC1=NC(=O)C(S1)=Cc1ccc(OC2CCCCC2)cc1Cl |w:7.8,t:1|
BDBM118063 OC1=NC(=O)C(S1)=Cc1ccc(OCC2CCCCC2)cc1Cl |w:7.8,t:1|
BDBM118064 OC1=NC(=O)C(S1)=Cc1ccc(OCCCC2CCCCC2)cc1Cl |w:7.8,t:1|
BDBM118065 OC1=NC(=O)C(S1)=Cc1ccc(OCCCCC2CCCCC2)cc1Cl |w:7.8,t:1|
BDBM118066 OC1=NC(=O)C(S1)=Cc1cccc(OC2CCCCC2)c1Cl |w:7.8,t:1|
BDBM118067 OC1=NC(=O)C(S1)=Cc1cccc(OCCCCC2CCCCC2)c1Cl |w:7.8,t:1|
BDBM118068 COc1cc(C=C2SC(O)=NC2=O)ccc1OCCc1cccs1 |w:5.4,c:9|
BDBM118069 COc1ccc(\C=C2/SC(=O)NC2=O)cc1OCCc1cccs1
BDBM118070 Cc1ncsc1CCOc1cccc(C=C2SC(O)=NC2=O)c1Cl |w:14.14,c:19|
BDBM118071 Cc1ncsc1CCOc1ccc(C=C2SC(O)=NC2=O)c(Cl)c1 |w:13.13,c:18|
BDBM118072 OC1=NC(=O)C(S1)=Cc1cccc(OCCC2CCCC2)c1Cl |w:7.8,t:1|
BDBM118073 OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCC2)c(Cl)c1 |w:7.8,t:1|
BDBM118074 OC1=NC(=O)C(S1)=Cc1cccc(OCc2ccc(cc2)[N+]([O-])=O)c1Cl |w:7.8,t:1|
BDBM118075 OC1=NC(=O)C(S1)=Cc1cccc(OCCOC2CCCCC2)c1Cl |w:7.8,t:1|
BDBM118076 OC1=NC(=O)C(S1)=Cc1ccc(OCC2CCC(CC2)OC=O)cc1 |w:7.8,t:1,(8.38,-.79,;7.61,.54,;8.52,1.79,;7.61,3.04,;8.38,4.37,;6.15,2.56,;6.15,1.02,;4.82,3.33,;3.48,2.56,;3.48,1.02,;2.15,.25,;.82,1.02,;-.52,.25,;-1.85,1.02,;-3.19,.25,;-4.52,1.02,;-5.85,.25,;-5.85,-1.29,;-4.52,-2.06,;-3.19,-1.29,;-7.19,-2.06,;-8.52,-1.29,;-9.85,-2.06,;.82,2.56,;2.15,3.33,)|
BDBM118077 Oc1[nH]c(=O)sc1Cc1ccc(OCCC2CCCCC2)cc1
BDBM118078 Oc1[nH]c(=O)sc1Cc1ccc(OCC2CCCCC2)cc1
BDBM118079 Oc1[nH]c(=O)sc1Cc1ccc(OCC2CCCC2)cc1
BDBM118080 Oc1[nH]c(=O)sc1Cc1ccc(OCC2CCCCC2)c(Cl)c1
BDBM118081 Oc1[nH]c(=O)sc1Cc1ccc(OCCC2CCCC2)cc1
BDBM118083 Oc1[nH]c(=O)sc1Cc1ccc(OCCC2CCCCC2)c(Cl)c1
BDBM118084 Cc1cc(Cc2sc(=O)[nH]c2O)ccc1OCCC1CCCCC1
BDBM118085 Oc1[nH]c(=O)sc1Cc1ccc(OCCCC2CCCCC2)c(Cl)c1
BDBM118089 Oc1[nH]c(=O)sc1Cc1ccc(OCCC2CCCCC2)cc1Cl
BDBM118090 Cc1cc(Cc2sc(=O)[nH]c2O)ccc1OCCCC1CCCCC1
BDBM118091 Oc1[nH]c(=O)sc1Cc1ccc(OCc2ccc(cc2)-c2ccccc2)cc1
BDBM50049243 CC1(COc2ccc(Cc3sc(=O)[nH]c3O)cc2)CCCCC1
BDBM50145465 OC1=NC(=O)C(S1)=Cc1ccc(OCc2ccccc2)cc1 |w:7.8,t:1|
BDBM50145471 Oc1[nH]c(=O)sc1Cc1ccc(OCc2ccccc2)cc1
BDBM50347949 OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCCC2)cc1 |w:7.8,t:1|
BDBM50347950 COc1cc(C=C2SC(O)=NC2=O)ccc1OCCC1CCCCC1 |w:5.4,c:9|
BDBM50347951 COc1cc(\C=C2/SC(=O)N(C)C2=O)ccc1OCCC1CCCCC1
BDBM50347952 OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCCC2)c(Cl)c1 |w:7.8,t:1|
BDBM50347953 OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCCC2)c(Br)c1 |w:7.8,t:1|
BDBM50347954 OC1=NC(=O)C(S1)=Cc1ccc(OC2CCCCC2)c(Cl)c1 |w:7.8,t:1|
BDBM50347955 OC1=NC(=O)C(S1)=Cc1ccc(OCC2CCCCC2)c(Cl)c1 |w:7.8,t:1|
BDBM50347956 OC1=NC(=O)C(S1)=Cc1ccc(OCCCC2CCCCC2)c(Cl)c1 |w:7.8,t:1|
BDBM50347957 OC1=NC(=O)C(S1)=Cc1ccc(OCCCCC2CCCCC2)c(Cl)c1 |w:7.8,t:1|
BDBM50378618 OC1=NC(=O)C(S1)=Cc1ccc(OCCN2CCS(=O)(=O)CC2)cc1 |w:7.8,t:1|
BDBM50378619 OC1=NC(=O)C(S1)=Cc1ccc(OCCc2cccs2)cc1 |w:7.8,t:1|
BDBM50378620 OC1=NC(=O)C(S1)=Cc1ccc(OCCN2CCOCC2)cc1 |w:7.8,t:1|
BDBM50378621 OC1=NC(=O)C(S1)=Cc1ccc(OCCc2ccsc2)cc1 |w:7.8,t:1|
BDBM50378622 CC(C)OCCOc1ccc(C=C2SC(O)=NC2=O)cc1 |w:11.10,c:15|
BDBM50378623 OC1=NC(=O)C(S1)=Cc1ccc(OCCc2ccccn2)cc1 |w:7.8,t:1|
BDBM50378625 OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCCO2)cc1 |w:7.8,t:1|
BDBM50378626 OC1=NC(=O)C(S1)=Cc1ccc(OCCN2CCCCC2)cc1 |w:7.8,t:1|
BDBM50378627 Cc1ncsc1CCOc1ccc(C=C2SC(O)=NC2=O)cc1 |w:13.13,c:18|
BDBM50378628 OC1=NC(=O)C(S1)=Cc1ccc(OCCCN2CCS(=O)(=O)CC2)cc1 |w:7.8,t:1|
BDBM50378629 OC1=NC(=O)C(S1)=Cc1ccc(OCc2cccs2)cc1 |w:7.8,t:1|
BDBM50378630 OC1=NC(=O)C(S1)=Cc1ccc(OCc2ccsc2)cc1 |w:7.8,t:1|
BDBM50378631 OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCC2)cc1 |w:7.8,t:1|
BDBM50378632 OC1=NC(=O)C(S1)=Cc1ccc(OCc2ccco2)cc1 |w:7.8,t:1|
BDBM50378633 OC1=NC(=O)C(S1)=Cc1ccc(OCc2ccccn2)cc1 |w:7.8,t:1|
BDBM50378634 COc1ccc(COc2ccc(C=C3SC(O)=NC3=O)cc2)cc1 |w:12.11,c:16|
BDBM50378635 Cc1ccc(COc2ccc(C=C3SC(O)=NC3=O)cc2)cc1 |w:11.10,c:15|
BDBM50378636 OC1=NC(=O)C(S1)=Cc1ccc(OCc2ccc3OCOc3c2)cc1 |w:7.8,t:1|
BDBM50378637 OC1=NC(=O)C(S1)=Cc1ccc(OCC2CCCC2)cc1 |w:7.8,t:1|
BDBM50378638 OC1=NC(=O)C(S1)=Cc1ccc(OCc2ccc(CCl)cc2)cc1 |w:7.8,t:1|
BDBM50378639 CC1CCC(COc2ccc(C=C3SC(O)=NC3=O)cc2)CC1 |w:11.10,c:15,(4.23,-1.81,;3.51,-1.4,;3.51,-.57,;2.8,-.16,;2.08,-.57,;1.37,-.16,;.65,-.57,;-.06,-.16,;-.06,.67,;-.78,1.08,;-1.49,.67,;-2.2,1.08,;-2.92,.67,;-3.01,-.15,;-3.81,-.33,;-4.15,-1.08,;-4.23,.39,;-3.67,1,;-3.84,1.81,;-1.49,-.16,;-.78,-.57,;2.08,-1.4,;2.8,-1.81,)|
BDBM50378640 OC1=NC(=O)C(S1)=Cc1ccc(OCCOC2CCCCC2)cc1 |w:7.8,t:1|
BDBM50378642 COC(=O)C1CCC(COc2ccc(C=C3SC(O)=NC3=O)cc2)CC1 |w:14.13,c:18,(-4.58,.16,;-4.58,.98,;-3.87,1.4,;-3.87,2.22,;-3.15,.98,;-2.44,1.4,;-1.72,.98,;-1.72,.16,;-1.01,-.25,;-.3,.16,;.42,-.25,;1.13,.16,;1.85,-.25,;1.85,-1.08,;2.56,-1.49,;3.28,-1.08,;3.36,-.26,;4.17,-.09,;4.51,.67,;4.58,-.8,;4.03,-1.41,;4.2,-2.22,;1.13,-1.49,;.42,-1.08,;-2.44,-.25,;-3.15,.16,)|
BDBM50378644 O=C1NC(=O)\C(N1)=C\c1ccc(OCCC2CCCCC2)cc1
BDBM50378645 O=C1C\C(=C/c2ccc(OCCC3CCCCC3)cc2)C(=O)N1
BDBM50378646 OCCN1C(=O)S\C(=C/c2ccc(OCCC3CCCCC3)cc2)C1=O
BDBM50445533 Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCC(C1)C(F)(F)F
BDBM50445534 Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCC(C)(C)C1
BDBM50445535 CC(C)C1CCCN(C1)C(=O)c1ccc2n(cnc2c1)-c1cccc(C)c1
BDBM50445536 CC1CC(C)CN(C1)C(=O)c1ccc2n(cnc2c1)-c1cccc(C)c1
BDBM50445537 CC1CCCN(C1)C(=O)c1ccc2n(cnc2c1)-c1cccc(C)c1
BDBM50445538 C1CCc2nnc(-c3cn(-c4ccccc4)c4ccccc34)n2CC1
BDBM50445539 C1CCc2nnc(-c3ccn(n3)-c3ccccc3)n2CC1
BDBM50445540 C1CCc2nnc(-c3ccn(c3)-c3ccccc3)n2CC1
BDBM50445541 Cc1cc(c(C)n1-c1ccccc1)-c1nnc2CCCCCCCn12
BDBM50445542 Cc1cc(c(C)n1-c1ccccc1)-c1nnc2CCCCCCn12
BDBM50445543 Cc1cc(c(C)n1-c1ccccc1)-c1nnc2CCCCn12
BDBM50445544 Cc1cc(c(C)n1-c1ccccc1)-c1nnc2CCCn12
BDBM50445545 Cc1cc(c(C)n1-c1cccc2ccccc12)-c1nnc2CCCCCn12 |(30.03,-40.3,;31.5,-39.83,;32.74,-40.74,;33.99,-39.84,;33.52,-38.37,;34.43,-37.13,;31.98,-38.36,;31.24,-37.01,;29.71,-36.99,;28.96,-35.65,;29.76,-34.32,;31.3,-34.35,;32.09,-33.05,;33.62,-33.07,;34.36,-34.42,;33.57,-35.73,;32.04,-35.7,;35.45,-40.32,;35.92,-41.78,;37.46,-41.78,;37.95,-40.31,;39.45,-39.89,;40.05,-38.45,;39.3,-37.09,;37.77,-36.82,;36.61,-37.85,;36.69,-39.41,)|
BDBM50445546 Cc1cc(c(C)n1-c1ccncc1)-c1nnc2CCCCCn12
BDBM50445547 Cc1cc(c(C)n1-c1cccnc1)-c1nnc2CCCCCn12
BDBM50445548 Cc1cc(c(C)n1-c1ccccn1)-c1nnc2CCCCCn12
BDBM50445549 CCOC(=O)c1ccc(cc1)-n1c(C)cc(c1C)-c1nnc2CCCCCn12
BDBM50445550 Cc1cc(c(C)n1-c1ccc(cc1)C(C)(C)C)-c1nnc2CCCCCn12
BDBM50445551 Cc1cc(c(C)n1-c1ccc(cc1)[N+]([O-])=O)-c1nnc2CCCCCn12
BDBM50445552 COc1ccc(cc1)-n1c(C)cc(c1C)-c1nnc2CCCCCn12
BDBM50445553 Cc1cc(c(C)n1-c1ccc(cc1)C#N)-c1nnc2CCCCCn12
BDBM50445554 Cc1cc(c(C)n1-c1cccc(c1)C#N)-c1nnc2CCCCCn12
BDBM50445555 Cc1cc(c(C)n1-c1ccc(C)cc1)-c1nnc2CCCCCn12
BDBM50445556 Cc1cc(c(C)n1-c1ccc(cc1)C(F)(F)F)-c1nnc2CCCCCn12
BDBM50445557 Cc1cc(c(C)n1-c1cccc(c1)C(F)(F)F)-c1nnc2CCCCCn12
BDBM50445558 Cc1cc(c(C)n1-c1ccc(F)cc1)-c1nnc2CCCCCn12
BDBM50445559 Cc1cc(c(C)n1-c1ccc(Br)cc1)-c1nnc2CCCCCn12
BDBM50445560 Cc1cc(c(C)n1-c1ccc(Cl)cc1)-c1nnc2CCCCCn12
BDBM50445561 Cc1cc(c(C)n1-c1cccc(Cl)c1)-c1nnc2CCCCCn12
BDBM50445562 Cc1cc(c(C)n1-c1ccc(Cl)c(Cl)c1)-c1nnc2CCCCCn12
BDBM50445563 Cc1cc(c(C)n1-c1ccccc1)-c1nnc2CCCCCn12
BDBM50445510 CCCCn1cnc2cc(ccc12)C(=O)N1CCCCC1
BDBM50445511 CC(C)(C)n1cnc2cc(ccc12)C(=O)N1CCCCC1
BDBM50445512 CC(C)(C)c1ccc(cc1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
BDBM50445513 FC(F)(F)c1ccc(cc1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
BDBM50445514 COc1ccc(cc1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
BDBM50445515 Clc1ccc(cc1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
BDBM50445516 Cc1ccc(cc1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
BDBM50445517 CC(C)(C)c1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
BDBM50445518 CC(C)c1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
BDBM50445519 FC(F)(F)c1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
BDBM50445520 COc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
BDBM50445521 Clc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
BDBM50445522 COc1ccccc1-n1cnc2cc(ccc12)C(=O)N1CCCCC1
BDBM50445523 O=C(N1CCCCC1)c1ccc2n(cnc2c1)-c1ccccc1
BDBM50445524 Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCOCC1
BDBM50445525 CN1CCN(CC1)C(=O)c1ccc2n(cnc2c1)-c1cccc(C)c1
BDBM50445526 CCCCNC(=O)c1ccc2n(cnc2c1)-c1cccc(C)c1
BDBM50445527 Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)NC1CCCC1
BDBM50445528 Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCC(C1)c1ccccc1
BDBM50445529 Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCC1
BDBM50445530 CCN(CC)C(=O)c1ccc2n(cnc2c1)-c1cccc(C)c1
BDBM50445531 Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCC(CC1)C(F)(F)F
BDBM50445532 Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCC(Br)CC1
BDBM50438397 OC1=NC(=O)C(S1)=Cc1ccc(OCCCCc2ccccc2)cc1Cl |w:7.8,t:1|
BDBM50438398 OC1=NC(=O)C(S1)=Cc1ccc(OCCCc2ccccc2)cc1Cl |w:7.8,t:1|
BDBM50438399 OC1=NC(=O)C(S1)=Cc1ccc(OCCc2ccccc2)cc1Cl |w:7.8,t:1|
BDBM50438400 OC1=NC(=O)C(S1)=Cc1ccc(OCc2ccccc2)cc1Cl |w:7.8,t:1|
BDBM50438401 OC1=NC(=O)C(S1)=Cc1ccc(OCCCCc2ccccc2)c(Cl)c1 |w:7.8,t:1|
BDBM50438402 OC1=NC(=O)C(S1)=Cc1ccc(OCCCc2ccccc2)c(Cl)c1 |w:7.8,t:1|
BDBM50438403 OC1=NC(=O)C(S1)=Cc1ccc(OCCc2ccccc2)c(Cl)c1 |w:7.8,t:1|
BDBM50438404 OC1=NC(=O)C(S1)=Cc1ccc(OCc2ccccc2)c(Cl)c1 |w:7.8,t:1|
BDBM50438405 OC1=NC(=O)C(S1)=Cc1ccc(OCC2CC3CCC2C3)c(Cl)c1 |w:7.8,t:1,THB:13:14:18.17:20|
BDBM50438406 OC1=NC(=O)C(S1)=Cc1ccc(OCc2ccc3OCOc3c2)c(Cl)c1 |w:7.8,t:1|
BDBM50438407 OC1=NC(=O)C(S1)=Cc1ccc(Oc2cccc(C=C[N+]([O-])=O)c2)c(Cl)c1 |w:7.8,18.18,t:1|
BDBM50438408 OC1=NC(=O)C(S1)=Cc1ccc(OCCc2ccc(o2)[N+]([O-])=O)c(Cl)c1 |w:7.8,t:1|
BDBM50438409 OC1=NC(=O)C(S1)=Cc1ccc(Oc2cccc3C(=O)CCCc23)c(Cl)c1 |w:7.8,t:1|
BDBM50438410 OC1=NC(=O)C(S1)=Cc1ccc(Oc2cccc(c2)[N+]([O-])=O)c(Cl)c1 |w:7.8,t:1|
BDBM50438411 CCc1ccc(CCOc2ccc(C=C3SC(O)=NC3=O)cc2Cl)nc1 |w:13.12,c:17|
BDBM50438412 CC(Oc1ccc(C=C2SC(O)=NC2=O)cc1Cl)C1CC1 |w:7.6,c:11|
BDBM50438413 OC1=NC(=O)C(S1)=Cc1ccc(OCC2CCCC2)c(Cl)c1 |w:7.8,t:1|
BDBM50438414 CC(=C)C1CCC(COc2ccc(C=C3SC(O)=NC3=O)cc2Cl)CC1 |w:13.12,c:17,(43.95,-19.38,;43.96,-17.84,;42.63,-17.07,;45.3,-17.08,;45.3,-15.54,;46.63,-14.78,;47.96,-15.56,;49.3,-14.79,;50.63,-15.56,;51.96,-14.79,;53.3,-15.56,;54.64,-14.79,;54.63,-13.24,;55.96,-12.46,;57.3,-13.23,;57.46,-14.76,;58.97,-15.07,;59.6,-16.48,;59.74,-13.74,;58.7,-12.6,;59.01,-11.09,;53.29,-12.47,;51.97,-13.24,;50.63,-12.48,;47.97,-17.09,;46.63,-17.85,)|
BDBM50438415 OC1=NC(=O)C(S1)=Cc1ccc(OCC2CCC2)c(Cl)c1 |w:7.8,t:1|
BDBM50438416 OC1=NC(=O)C(S1)=Cc1ccc(OCCOC2CCCCC2)c(Cl)c1 |w:7.8,t:1|
BDBM50438417 OC1=NC(=O)C(S1)=Cc1ccc(OC(=O)c2cccs2)c(Cl)c1 |w:7.8,t:1|
BDBM50438419 Cc1ncsc1CCOc1ccc(C=C2SC(O)=NC2=O)cc1Cl |w:13.13,c:18|
BDBM50438420 OC1=NC(=O)C(S1)=Cc1ccc(OCCc2ccccn2)c(Cl)c1 |w:7.8,t:1|
BDBM50438421 OC1=NC(=O)C(S1)=Cc1ccc(OCc2ccc(cc2)[N+]([O-])=O)c(Cl)c1 |w:7.8,t:1|
BDBM50438422 CC(C)OCCOc1ccc(C=C2SC(O)=NC2=O)cc1Cl |w:11.10,c:15|
BDBM50438423 OC1=NC(=O)C(S1)=Cc1ccc(OCCc2cccs2)c(Cl)c1 |w:7.8,t:1|
BDBM50438424 OC1=NC(=O)C(S1)=Cc1ccc(OCCN2CCS(=O)(=O)CC2)c(Cl)c1 |w:7.8,t:1|
BDBM50438425 OC1=NC(=O)C(S1)=Cc1ccc(OCCOC2CCCCC2)cc1Cl |w:7.8,t:1|
BDBM50438426 OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCC2)cc1Cl |w:7.8,t:1|
BDBM50438427 OC1=NC(=O)C(S1)=Cc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1Cl |w:7.8,t:1|
BDBM50438428 OC1=NC(=O)C(S1)=Cc1ccc(OCCc2ccccn2)cc1Cl |w:7.8,t:1|
BDBM50438429 CC(C)OCCOc1ccc(C=C2SC(O)=NC2=O)c(Cl)c1 |w:11.10,c:15|
BDBM50438430 OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCCC2)cc1Cl |w:7.8,t:1|
BDBM118082 Oc1[nH]c(=O)sc1Cc1ccc(OCCN2CCS(=O)(=O)CC2)cc1
BDBM50066953 Brc1cc(\C=C2/SC(=O)NC2=O)ccc1OCCc1ccccc1