"ChEMBL ID"	"Name"	"Synonyms"	"Type"	"Max Phase"	"Molecular Weight"	"Targets"	"Bioactivities"	"AlogP"	"Polar Surface Area"	"HBA"	"HBD"	"#RO5 Violations"	"#Rotatable Bonds"	"Passes Ro3"	"QED Weighted"	"CX Acidic pKa"	"CX Basic pKa"	"CX LogP"	"CX LogD"	"Aromatic Rings"	"Structure Type"	"Inorganic Flag"	"Heavy Atoms"	"HBA (Lipinski)"	"HBD (Lipinski)"	"#RO5 Violations (Lipinski)"	"Molecular Weight (Monoisotopic)"	"Molecular Species"	"Molecular Formula"	"Smiles"
"CHEMBL2103748"	"CILOFUNGIN"	"CILOFUNGIN|L-646991|LY-121019|LY121019"	"Small molecule"	"0"	"1030.14"	"16"	"35"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1029.4906"	"None"	"C49H71N7O17"	"CCCCCCCCOc1ccc(C(=O)N[C@H]2C[C@@H](O)[C@@H](O)NC(=O)[C@@H]3[C@@H](O)[C@@H](C)CN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c3ccc(O)cc3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H]([C@@H](C)O)NC2=O)cc1"
"CHEMBL1766417"	""	""	"Small molecule"	"0"	"1290.55"	"12"	"29"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1289.2581"	"None"	"C56H55N15O10S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C4=N[C@H](C(=O)N5CCC[C@H]5C(N)=O)CO4)cs3)nc2-c2csc(n2)-c2csc(n2)[C@H]([C@@H](O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL2108224"	"AVOPARCIN"	"AV-290|AVOPARCIN|AVOTAN|C-254|CL 81,587|CL-81587|LL-AV290"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL3215342"	""	""	"Small molecule"	"0"	"1895.68"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1893.5515"	"None"	"C88H97Cl2N9O34"	"CC(=O)N[C@@H]1[C@H](OC2c3ccc(c(Cl)c3)Oc3cc4cc(c3O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3NC(=O)CCCCCCC(C)C)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(N)c5ccc(O)c(c5)Oc5cc(O)cc(c5)C(NC3=O)C(=O)NC4C(=O)NC3C(=O)NC2C(=O)N[C@@H](C(=O)O)c2cc(O)cc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c2-c2cc3ccc2O)O[C@@H](CO)[C@@H](O)[C@@H]1O"
"CHEMBL2103905"	"PECOCYCLINE"	"PECOCYCLINE"	"Small molecule"	"0"	"585.61"	""	""	"0.17"	"208.17"	"11"	"7"	"3"	"5"	"N"	"0.23"	"2.72"	"8.18"	"-4.81"	"-6.37"	"1"	"MOL"	"0"	"42"	"13"	"7"	"3"	"585.2322"	"ACID"	"C29H35N3O10"	"CN(C)[C@@H]1C(O)=C(C(=O)NCN2CCCC(C(=O)O)C2)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12"
"CHEMBL4297080"	"MEGLUCYCLINE"	"MCMC 3588|MCMC-3588|MEGLUCYCLINE|NEOPRODESCICLINA"	"Small molecule"	"0"	"635.62"	""	""	"-3.24"	"269.81"	"15"	"11"	"3"	"6"	"N"	"0.11"	"2.85"	"8.63"	"-6.12"	"-6.18"	"1"	"MOL"	"0"	"45"	"16"	"11"	"3"	"635.2326"	"ZWITTERION"	"C29H37N3O13"	"CN(C)[C@@H]1C(O)=C(C(=O)NCN[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12"
"CHEMBL1320139"	"HELIOMYCIN"	"GELIOMYCIN|HELIOMYCIN|ITAMYCIN|RESISTOMYCIN|X-340"	"Small molecule"	"0"	"376.36"	"43"	"99"	"3.66"	"115.06"	"6"	"4"	"0"	"0"	"N"	"0.37"	"6.66"	"None"	"5.86"	"4.84"	"3"	"MOL"	"0"	"28"	"6"	"4"	"0"	"376.0947"	"NEUTRAL"	"C22H16O6"	"Cc1cc(O)c2c3c4c(cc(O)c13)C(C)(C)C(=O)c1c(O)cc(O)c(c1-4)C2=O"
"CHEMBL2108749"	"PAULOMYCIN"	"PAULOMYCIN|U-43,120|U-43120"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2272031"	"PENTAMYCIN"	"CANTRICIN|COGOMYCIN|FEMIFECT|FUNGCHROMIN|LAGOSIN|NSC-105388|NSC-276732|PENTAMYCIN|PRURI-EX"	"Small molecule"	"0"	"670.84"	"1"	"2"	"0.86"	"228.60"	"12"	"10"	"3"	"5"	"N"	"0.15"	"12.89"	"None"	"-0.68"	"-0.68"	"0"	"MOL"	"0"	"47"	"12"	"10"	"3"	"670.3928"	"NEUTRAL"	"C35H58O12"	"CCCCC[C@@H](O)[C@H]1C(=O)O[C@H](C)[C@@H](O)/C=C/C=C/C=C/C=C/C=C(\C)[C@@H](O)[C@H](O)[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O"
"CHEMBL389029"	"LIVIDOMYCIN"	"LIVIDOMYCIN|LIVIDOMYCIN A"	"Small molecule"	"0"	"761.78"	"8"	"24"	"-10.01"	"406.24"	"23"	"15"	"3"	"12"	"N"	"0.09"	"12.02"	"9.61"	"-9.39"	"-16.04"	"0"	"MOL"	"0"	"52"	"23"	"20"	"3"	"761.3542"	"BASE"	"C29H55N5O18"	"NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)C[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"
"CHEMBL4297102"	"MOCIMYCIN"	"DELVOMYCIN|KIRROMYCIN|MOCIMYCIN|MYC 8003|MYC-8003|NSC-316094"	"Small molecule"	"0"	"796.95"	""	""	"3.07"	"228.10"	"12"	"8"	"3"	"17"	"N"	"0.06"	"9.46"	"None"	"3.27"	"3.27"	"1"	"MOL"	"0"	"57"	"14"	"8"	"3"	"796.4146"	"NEUTRAL"	"C43H60N2O12"	"C/C=C\C=C\[C@@H]1O[C@](O)([C@H](CC)C(=O)NC/C=C/C=C(\C)[C@@H](OC)[C@H](C)[C@@H]2O[C@H](/C=C/C=C/C=C(\C)C(=O)c3c(O)cc[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)C1(C)C"
"CHEMBL470269"	"ANTIBIOTIC 1233A"	"Antibiotic 1233A"	"Small molecule"	"0"	"324.42"	"2"	"2"	"3.08"	"83.83"	"4"	"2"	"0"	"10"	"N"	"0.28"	"4.86"	"None"	"3.15"	"0.66"	"0"	"MOL"	"-1"	"23"	"5"	"2"	"0"	"324.1937"	"ACID"	"C18H28O5"	"CC(=C\C(=O)O)/C=C(\C)C[C@H](C)CCCC[C@H]1OC(=O)[C@@H]1CO"
"CHEMBL3989729"	"MEGALOMICIN POTASSIUM PHOSPHATE"	"MEGALOMICIN POTASSIUM PHOSPHATE|SCH 13430.2KH|SCH 13430.2KH2P04"	"Small molecule"	"0"	"1149.29"	""	""	"1.58"	"226.61"	"17"	"6"	"3"	"9"	"N"	"0.18"	"12.41"	"8.68"	"2.84"	"0.79"	"0"	"MOL"	"0"	"61"	"17"	"6"	"3"	"876.5559"	"BASE"	"C44H84K2N2O23P2"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O[C@H]2C[C@@H](N(C)C)[C@@H](O)[C@H](C)O2)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.O=P([O-])(O)O.O=P([O-])(O)O.[K+].[K+]"
"CHEMBL3990195"	"MEGALOMICIN"	"MEGALOMICIN|MEGALOMICIN A|SCH 13430|SCH-13430"	"Small molecule"	"0"	"877.12"	""	""	"1.58"	"226.61"	"17"	"6"	"3"	"9"	"N"	"0.18"	"12.41"	"8.68"	"2.84"	"0.79"	"0"	"MOL"	"0"	"61"	"17"	"6"	"3"	"876.5559"	"BASE"	"C44H80N2O15"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O[C@H]2C[C@@H](N(C)C)[C@@H](O)[C@H](C)O2)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL2107477"	"OXIFUNGIN HYDROCHLORIDE"	"EU-3421|OXIFUNGIN HCL|OXIFUNGIN HYDROCHLORIDE"	"Small molecule"	"0"	"276.73"	""	""	"2.12"	"58.54"	"5"	"2"	"0"	"3"	"N"	"0.86"	"None"	"6.71"	"1.58"	"1.50"	"2"	"MOL"	"0"	"18"	"5"	"2"	"0"	"240.1011"	"NEUTRAL"	"C13H13ClN4O"	"Cl.c1ccc(OCC2=Nc3cnccc3NN2)cc1"
"CHEMBL3989753"	"BASIFUNGIN"	"AUREOBASIDIN A|BASIFUNGIN|LY-295337|LY295337|NK 204|NK-204|R-106-1|R106 1|R106-1"	"Protein"	"0"	"1101.44"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1100.6886"	"None"	"C60H92N8O11"	"CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O"
"CHEMBL3989508"	"DUAZOMYCIN"	"A-10270A|DIAZOMYCIN A|DUAZOMYCIN|DUAZOMYCIN A|NSC-51097"	"Small molecule"	"0"	"213.19"	"2"	"2"	"-0.77"	"119.87"	"3"	"2"	"0"	"6"	"N"	"0.34"	"3.56"	"None"	"-2.20"	"-5.56"	"0"	"MOL"	"0"	"15"	"7"	"2"	"0"	"213.0750"	"ACID"	"C8H11N3O4"	"CC(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)O"
"CHEMBL2103921"	"AMPHOMYCIN"	"AMFOMYCIN|AMPHOMYCIN|GLUMAMYCIN"	"Protein"	"0"	"1290.44"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1289.6503"	"None"	"C58H91N13O20"	"CCC(C)CCCCC/C=C/CC(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C)C1CC(=O)C2CNCCN2C1=O)C(C)C)C(C)N)C(C)C(=O)O"
"CHEMBL2008915"	"GUAMECYCLINE"	"GUAMECYCLINE"	"Small molecule"	"0"	"626.67"	""	""	"-1.59"	"259.86"	"12"	"10"	"3"	"4"	"N"	"0.10"	"3.02"	"11.37"	"-5.60"	"-6.21"	"1"	"MOL"	"0"	"45"	"16"	"11"	"3"	"626.2813"	"ZWITTERION"	"C29H38N8O8"	"CN(C)[C@@H]1C(O)=C(C(=O)NCN2CCN(C(=N)NC(=N)N)CC2)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12"
"CHEMBL1201281"	"CHLORAMPHENICOL SUCCINIC ACID"	"Chloramphenicol succinate"	"Small molecule"	"4"	"423.20"	"4"	"4"	"1.32"	"156.07"	"7"	"3"	"0"	"10"	"N"	"0.22"	"3.65"	"None"	"1.14"	"-2.19"	"1"	"MOL"	"0"	"27"	"10"	"3"	"0"	"422.0284"	"ACID"	"C15H16Cl2N2O8"	"O=C(O)CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1"
"CHEMBL4297077"	"APICYCLINE"	"APICYCLINE|RIT 1140|RIT-1140"	"Small molecule"	"0"	"630.65"	""	""	"-1.56"	"231.64"	"13"	"8"	"3"	"7"	"N"	"0.16"	"2.78"	"8.77"	"-6.59"	"-7.67"	"1"	"MOL"	"0"	"45"	"15"	"8"	"3"	"630.2537"	"ZWITTERION"	"C30H38N4O11"	"CN(C)[C@@H]1C(O)=C(C(=O)NC(C(=O)O)N2CCN(CCO)CC2)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12"
"CHEMBL2106397"	"LEXITHROMYCIN"	"ERTHROMYCIN A 9-(O-METHYLOXIME)|ERYTHROMYCIN 9-(O-METHYLOXIME)|ERYTHROMYCIN METHYLOXIME|ERYTHROMYCIN, 9-(O-METHYLOXIME)|LEXITHROMYCIN|WY-483 14|WY-48314"	"Small molecule"	"0"	"762.98"	""	""	"2.22"	"198.43"	"15"	"5"	"2"	"8"	"N"	"0.18"	"12.45"	"9.08"	"2.98"	"1.30"	"0"	"MOL"	"0"	"53"	"15"	"5"	"2"	"762.4878"	"BASE"	"C38H70N2O13"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/OC)[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL2110757"	"PIRAZMONAM"	"PIRAZMONAM"	"Small molecule"	"0"	"684.63"	"5"	"6"	"-2.93"	"316.19"	"15"	"7"	"3"	"10"	"N"	"0.07"	"2.82"	"3.53"	"-3.20"	"-6.80"	"2"	"MOL"	"0"	"46"	"22"	"8"	"3"	"684.1017"	"ACID"	"C22H24N10O12S2"	"CC(C)(O/N=C(\C(=O)NC1CN(C(=O)NS(=O)(=O)N2CCN(NC(=O)c3cc(=O)c(O)c[nH]3)C2=O)C1=O)c1csc(N)n1)C(=O)O"
"CHEMBL2109031"	"CACTINOMYCIN"	"ACTINOMYCIN C|CACTINOMYCIN|H.B.F. 386|H.B.F.-386|HBF-386|NSC-18268"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL3989875"	"RUTAMYCIN"	"26-DEMETHYLOLIGOMYCIN A|A 272|A-272|OLIGOMYCIN A, 26-DEMETHYL-|OLIGOMYCIN D|RR 32705|RR NO. 32705|RR-32705|RUTAMYCIN|RUTAMYCIN A"	"Small molecule"	"0"	"777.05"	""	""	"5.64"	"180.05"	"11"	"5"	"3"	"3"	"N"	"0.22"	"12.29"	"None"	"7.07"	"7.07"	"0"	"MOL"	"0"	"55"	"11"	"5"	"3"	"776.5075"	"NEUTRAL"	"C44H72O11"	"CC[C@H]1/C=C/C=C/C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2C"
"CHEMBL1236180"	"EPITETRACYCLINE"	"4-EPITETRACYCLINE|QUATRIMYCIN"	"Small molecule"	"0"	"444.44"	"1"	"1"	"-0.21"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.34"	"2.91"	"8.81"	"-3.47"	"-3.70"	"1"	"MOL"	"0"	"32"	"10"	"7"	"1"	"444.1533"	"ZWITTERION"	"C22H24N2O8"	"CN(C)[C@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12"
"CHEMBL1231250"	"BICOZAMYCIN"	"AIZUMYCIN|BICOZAMYCIN|BICYCLOMYCIN|CGP-3543|NSC-180516"	"Small molecule"	"0"	"302.28"	""	""	"-3.30"	"148.35"	"7"	"6"	"1"	"3"	"N"	"0.30"	"9.47"	"None"	"-2.39"	"-2.39"	"0"	"MOL"	"0"	"21"	"9"	"6"	"1"	"302.1114"	"NEUTRAL"	"C12H18N2O7"	"C=C1CCO[C@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(O)NC2=O"
"CHEMBL1201289"	"CLINDAMYCIN PALMITATE"	"CLINDAMYCIN PALMITATE"	"Small molecule"	"4"	"663.41"	"1"	"1"	"6.42"	"108.33"	"8"	"3"	"2"	"22"	"N"	"0.07"	"12.59"	"7.55"	"7.96"	"7.58"	"0"	"MOL"	"0"	"44"	"8"	"3"	"2"	"662.4095"	"NEUTRAL"	"C34H63ClN2O6S"	"CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC"
"CHEMBL2304044"	"BUTIKACIN"	"BUTIKACIN|UK 18,892|UK 18892|UK-18,892|UK-18892"	"Small molecule"	"0"	"571.63"	""	""	"-7.95"	"314.87"	"17"	"13"	"3"	"11"	"N"	"0.11"	"12.05"	"10.00"	"-8.00"	"-15.40"	"0"	"MOL"	"0"	"39"	"17"	"17"	"3"	"571.3065"	"BASE"	"C22H45N5O12"	"NCC[C@H](O)CN[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O"
"CHEMBL2108460"	"FUNGIMYCIN"	"AMINOMYCIN|FUNGIMYCIN|NC 1968|NC-1968|PERIMYCIN|WX 2412|WX-2412"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL3989499"	"TACAPENEM"	"TACAPENEM"	"Small molecule"	"0"	"326.37"	""	""	"-0.24"	"106.94"	"5"	"3"	"0"	"4"	"N"	"0.62"	"3.67"	"None"	"-1.78"	"-5.09"	"0"	"MOL"	"0"	"22"	"7"	"3"	"0"	"326.0936"	"ACID"	"C14H18N2O5S"	"C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CNC(=O)C3)[C@H](C)[C@H]12"
"CHEMBL3989533"	"NEOMYCIN PALMITATE"	"NEOMYCIN PALMITATE"	"Small molecule"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL3989602"	"NEOMYCIN UNDECYLENATE"	"NEODECYLLIN|NEOMYCIN UNDECYLATE|NEOMYCIN UNDECYLENATE|NEOMYCIN, 10-UNDECENOATE (SALT)"	"Small molecule"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2108107"	"TETANUS ANTITOXIN"	"TETANUS ANTITOXIN"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL3989616"	"LYDIMYCIN"	"LIDIMYCIN|LYDIMYCIN|NSC-127473|U-15,965|U-15965"	"Small molecule"	"0"	"242.30"	""	""	"0.57"	"78.43"	"3"	"3"	"0"	"4"	"N"	"0.50"	"4.30"	"None"	"0.32"	"-2.65"	"0"	"MOL"	"0"	"16"	"5"	"3"	"0"	"242.0725"	"ACID"	"C10H14N2O3S"	"O=C(O)/C=C/CC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12"
"CHEMBL384872"	""	""	"Small molecule"	"0"	"1078.13"	"3"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1077.3974"	"None"	"C47H59N13O15S"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(-c4cccs4)oc3c2)NC1=O"
"CHEMBL2107413"	"GLOXIMONAM"	"GLOXIMONAM|SQ 82531|SQ-82531"	"Small molecule"	"0"	"471.49"	""	""	"-0.39"	"171.74"	"12"	"2"	"1"	"9"	"N"	"0.21"	"10.94"	"3.28"	"0.22"	"0.22"	"1"	"MOL"	"0"	"32"	"13"	"3"	"1"	"471.1424"	"NEUTRAL"	"C18H25N5O8S"	"CO/N=C(\C(=O)N[C@@H]1C(=O)N(OCC(=O)OCC(=O)OC(C)(C)C)[C@H]1C)c1csc(N)n1"
"CHEMBL267871"	""	""	"Small molecule"	"0"	"1255.50"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1254.2421"	"None"	"C53H54N14O11S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(CNC(=O)NCC(O)CC(=O)O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL4297677"	"TEBIPENEM PIVOXIL HYDROBROMIDE"	"SPR-994|SPR994|TBPM-PI-HBr|TEBIPENEM PIVOXIL HYDROBROMIDE"	"Small molecule"	"1"	"578.55"	""	""	"1.67"	"108.74"	"10"	"1"	"0"	"6"	"N"	"0.33"	"None"	"6.27"	"1.59"	"1.56"	"0"	"MOL"	"0"	"33"	"9"	"1"	"0"	"497.1654"	"NEUTRAL"	"C22H32BrN3O6S2"	"Br.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(SC3CN(C4=NCCS4)C3)[C@H](C)[C@H]12"
"CHEMBL2105403"	"PENTISOMICIN"	"PENTISOMICIN|SCH 22591|SCH-22591"	"Small molecule"	"0"	"447.53"	""	""	"-3.85"	"213.72"	"12"	"8"	"2"	"6"	"N"	"0.20"	"12.55"	"9.59"	"-4.32"	"-11.46"	"0"	"MOL"	"0"	"31"	"12"	"12"	"2"	"447.2693"	"BASE"	"C19H37N5O7"	"CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@H]2O)OC[C@]1(C)O"
"CHEMBL2108748"	"PARTRICIN"	"AYFACTIN|PARTRICIN|SPA-S-132"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2218877"	"ERYTHROMYCIN ESTOLATE"	"ERYTHROMYCIN (AS ESTOLATE)|ERYTHROMYCIN ESTOLATE|ERYTHROMYCIN LAURYL SULFATE, PROPIONYL|ERYTHROMYCIN PROPIONATE LAURYL SULFATE|Ilosone|NSC-263364|PROPIONYL ERYTHROMYCIN LAURYL SULFATE"	"Small molecule"	"4"	"1056.40"	"10"	"23"	"2.75"	"199.98"	"15"	"4"	"2"	"9"	"N"	"0.25"	"12.68"	"7.87"	"3.74"	"3.14"	"0"	"MOL"	"0"	"55"	"15"	"4"	"2"	"789.4875"	"NEUTRAL"	"C52H97NO18S"	"CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O"
"CHEMBL2109105"	"BINIRAMYCIN"	"ANTIBIOTIC 241A|BINIRAMYCIN"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL3989416"	"GANEFROMYCIN"	"GANEFROMYCIN"	"Unknown"	"0"	"2452.92"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"2451.2793"	"None"	"C130H190N2O42"	"C/C=C\C=C\[C@@H]1O[C@](O)(C(CO[C@@H]2C[C@@H](OC)[C@@H](O[C@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@@H](OC)[C@@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)C(=O)NC/C=C/C=C(\C)C(OC)C(C)[C@H]2C[C@@H](O)[C@@H](/C=C/C=C/C=C/C(=O)O)O2)[C@H](O)[C@H](OC(=O)Cc2ccccc2)C1(C)C.C/C=C\C=C\[C@@H]1O[C@](O)(C(CO[C@@H]2C[C@@H](OC)[C@@H](O[C@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@@H](OC)[C@@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)C(=O)NC/C=C/C=C(\C)C(OC)C(C)[C@H]2C[C@@H](O)[C@@H](/C=C/C=C/C=C/C(=O)O)O2)[C@H](OC(=O)Cc2ccccc2)[C@H](O)C1(C)C"
"CHEMBL2106451"	"GALARUBICIN"	"GALARUBICIN"	"Small molecule"	"0"	"633.58"	""	""	"-0.12"	"232.37"	"14"	"6"	"3"	"8"	"N"	"0.14"	"7.99"	"8.97"	"0.37"	"0.00"	"2"	"MOL"	"0"	"45"	"14"	"7"	"3"	"633.1858"	"BASE"	"C30H32FNO13"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCN)C[C@@H]3O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1F"
"CHEMBL2108203"	"HACHIMYCIN"	"CABIMICINA|HACHIMYCIN|TRICHOMYCIN|TRICHONAT"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2108417"	"DIPHTHERIA ANTITOXIN"	"DIPHTHERIA ANTITOXIN"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL4297068"	"SCOPAFUNGIN"	"NIPHIMYCIN I.ALPHA.|NSC-107041|SCOPAFUNGIN|U-29,479|U-29479"	"Small molecule"	"0"	"1142.48"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1141.7237"	"None"	"C59H103N3O18"	"CC(CCC/C=C/CCCN(C)C(=N)N)CC(C)C1OC(=O)C(C)C(O)/C=C/C(C)C(O)C(C)C(O)C(C)C(O)CCCC(O)CC2(O)OC(CC(OC(=O)CC(=O)O)CC(O)CC(O)C(C)C(O)/C=C/C=C/C1C)CC(O)C2O"
"CHEMBL1207444"	"SEMDURAMICIN"	"SEMDURAMICIN|UK-61,689|UK-61689"	"Small molecule"	"0"	"873.09"	""	""	"4.04"	"210.52"	"15"	"5"	"2"	"11"	"N"	"0.20"	"3.95"	"None"	"4.20"	"1.01"	"0"	"MOL"	"0"	"61"	"16"	"5"	"2"	"872.5133"	"ACID"	"C45H76O16"	"CO[C@H]1CC[C@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](O)[C@H]5OC)O4)O3)O2)O[C@@H]1C"
"CHEMBL2105788"	"OLEANDOMYCIN PHOSPHATE"	"Matromycin|OLEANDOMYCIN PHOSPHATE|OLEANDOMYCIN PHOSPHATE (1:1)"	"Small molecule"	"0"	"785.86"	"2"	"2"	"1.91"	"165.98"	"13"	"3"	"2"	"6"	"N"	"0.27"	"12.67"	"8.38"	"2.98"	"1.95"	"0"	"MOL"	"0"	"48"	"13"	"3"	"2"	"687.4194"	"NEUTRAL"	"C35H64NO16P"	"CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@H]2C)O[C@@H](C)[C@@H]1O.O=P(O)(O)O"
"CHEMBL4594337"	"GEMIBOTULINUMTOXIN A"	"AGN-151607|GEMIBOTULINUMTOXIN A|PM-12759"	"Protein"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"SEQ"	"0"	""	""	""	""	""	""	""	""
"CHEMBL1652611"	"PIRLIMYCIN"	"PIRLIMYCIN|PIRSUE|Pirlimycin"	"Small molecule"	"0"	"410.96"	"37"	"105"	"0.05"	"111.05"	"7"	"5"	"0"	"6"	"N"	"0.39"	"12.41"	"8.88"	"0.58"	"-0.91"	"0"	"MOL"	"0"	"26"	"7"	"5"	"0"	"410.1642"	"BASE"	"C17H31ClN2O5S"	"CC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1"
"CHEMBL3989807"	"PENGITOXIN"	"GITOXIN PENTAACETATE|PENGITOXIN"	"Small molecule"	"0"	"991.13"	""	""	"5.07"	"233.41"	"19"	"1"	"3"	"12"	"N"	"0.15"	"6.82"	"None"	"4.42"	"3.74"	"0"	"MOL"	"0"	"70"	"19"	"1"	"3"	"990.4824"	"NEUTRAL"	"C51H74O19"	"CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](OC(C)=O)C[C@H](O[C@H]3[C@@H](OC(C)=O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)[C@@H](OC(C)=O)C[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1OC(C)=O"
"CHEMBL2110604"	"BETAMICIN"	"BETAMICIN|SCH-14342"	"Small molecule"	"0"	"482.53"	"1"	"3"	"-6.00"	"248.39"	"14"	"10"	"2"	"6"	"N"	"0.17"	"12.05"	"9.59"	"-5.72"	"-11.26"	"0"	"MOL"	"0"	"33"	"14"	"13"	"2"	"482.2588"	"BASE"	"C19H38N4O10"	"CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)OC[C@]1(C)O"
"CHEMBL2205638"	"CHLORAMPHENICOL SULFATE SALT"	"Chloramphenicol Sulfate Salt"	"Small molecule"	"0"	"421.21"	"1"	"1"	"0.91"	"112.70"	"5"	"3"	"0"	"6"	"N"	"0.41"	"8.69"	"None"	"0.88"	"0.86"	"1"	"MOL"	"-1"	"20"	"7"	"3"	"0"	"322.0123"	"NEUTRAL"	"C11H14Cl2N2O9S"	"O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl.O=S(=O)(O)O"
"CHEMBL2104642"	"BLUENSOMYCIN"	"BLUENSOMYCIN|U-12898"	"Small molecule"	"0"	"585.56"	""	""	"-7.34"	"325.01"	"16"	"13"	"3"	"9"	"N"	"0.09"	"11.94"	"11.16"	"-6.86"	"-9.59"	"0"	"MOL"	"0"	"40"	"19"	"15"	"3"	"585.2494"	"BASE"	"C21H39N5O14"	"CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](OC(N)=O)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O"
"CHEMBL3245220"	""	""	"Small molecule"	"0"	"461.56"	"15"	"30"	"-3.59"	"199.73"	"12"	"8"	"2"	"7"	"N"	"0.19"	"12.55"	"9.75"	"-3.89"	"-11.10"	"0"	"MOL"	"-1"	"32"	"12"	"11"	"2"	"461.2849"	"BASE"	"C20H39N5O7"	"CNCC1=CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1"
"CHEMBL2109083"	"DENOFUNGIN"	"DENOFUNGIN|U 28009|U-28,009|U-28009"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2104423"	"NARASIN"	"ANTIBIOTIC A-28086 FACTOR A|C-7819B|COMPD-79891|COMPOUND 79891|Monteban|NARASIN|NARASIN A|SALINOMYCIN, 4-METHYL-, (4S)-"	"Small molecule"	"0"	"765.04"	"6"	"9"	"6.43"	"161.21"	"10"	"4"	"2"	"12"	"N"	"0.16"	"4.50"	"None"	"7.88"	"5.07"	"0"	"MOL"	"0"	"54"	"11"	"4"	"3"	"764.5075"	"ACID"	"C43H72O11"	"CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)[C@@H](C)C[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C"
"CHEMBL2104060"	"CARUMONAM SODIUM"	"AMA 1080|AMA 1080(2NA)|AMA-1080|AMASULIN|CARUMONAM DISODIUM SALT|CARUMONAM SODIUM|RO 17-2301/006|RO-172301006"	"Small molecule"	"0"	"510.37"	"2"	"4"	"-2.88"	"253.90"	"12"	"5"	"1"	"9"	"N"	"0.11"	"-2.09"	"3.90"	"-4.94"	"-8.09"	"1"	"MOL"	"0"	"30"	"16"	"7"	"2"	"466.0213"	"ACID"	"C12H12N6Na2O10S2"	"NC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\OCC(=O)[O-])c2csc(N)n2)C(=O)N1S(=O)(=O)[O-].[Na+].[Na+]"
"CHEMBL2105778"	"ZORUBICIN HYDROCHLORIDE"	"NSC-164011|RP 22,050 HYDROCHLORIDE|RUBIDAZONE|ZORUBICIN HCL|ZORUBICIN HYDROCHLORIDE"	"Small molecule"	"0"	"682.13"	"5"	"15"	"2.25"	"210.23"	"12"	"6"	"3"	"6"	"N"	"0.10"	"8.20"	"9.37"	"2.67"	"2.02"	"3"	"MOL"	"0"	"47"	"13"	"7"	"3"	"645.2322"	"BASE"	"C34H36ClN3O10"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(C)=N/NC(=O)c1ccccc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl"
"CHEMBL515668"	"ESORUBICIN"	"ESORUBICIN"	"Small molecule"	"0"	"527.53"	"2"	"2"	"1.03"	"185.84"	"11"	"5"	"2"	"5"	"N"	"0.30"	"8.01"	"10.13"	"1.24"	"0.69"	"2"	"MOL"	"0"	"38"	"11"	"6"	"3"	"527.1791"	"BASE"	"C27H29NO10"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)C[C@H](C)O1"
"CHEMBL4594324"	"HEPCIDIN ACETATE"	"HEPCIDIN ACETATE|HEPCIDIN-25 ACETATE"	"Protein"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"SEQ"	"0"	""	""	""	""	""	""	""	""
"CHEMBL411769"	""	""	"Small molecule"	"0"	"1558.01"	"11"	"15"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1556.5638"	"None"	"C73H89ClN10O26"	"CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(cc3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O"
"CHEMBL3990947"	"MIRINCAMYCIN"	"MIRINCAMYCIN"	"Small molecule"	"0"	"439.02"	""	""	"0.83"	"111.05"	"7"	"5"	"0"	"9"	"N"	"0.27"	"12.42"	"9.96"	"1.54"	"-0.93"	"0"	"MOL"	"0"	"28"	"7"	"5"	"0"	"438.1955"	"BASE"	"C19H35ClN2O5S"	"CCCCC[C@H]1CN[C@H](C(=O)N[C@@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1"
"CHEMBL3084803"	"ASTROMICIN"	"ASTROMICIN"	"Small molecule"	"0"	"405.50"	"106"	"283"	"-3.59"	"192.54"	"10"	"6"	"1"	"6"	"N"	"0.26"	"13.16"	"9.80"	"-3.96"	"-9.73"	"0"	"MOL"	"0"	"28"	"11"	"10"	"2"	"405.2587"	"BASE"	"C17H35N5O6"	"CO[C@H]1[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@H](O)[C@@H]1N(C)C(=O)CN"
"CHEMBL2106443"	"EFROTOMYCIN"	"EFROTOMYCIN|MK-621|PRODUCIL"	"Oligosaccharide"	"0"	"1145.35"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1144.5930"	"None"	"C59H88N2O20"	"C/C=C/C=C/[C@@H]1O[C@](O)([C@H](CC)C(=O)NC/C=C/C=C(\C)[C@@H](OC)[C@@H](C)[C@@H]2O[C@H](/C=C/C=C/C=C(\C)C(=O)c3c(O)ccn(C)c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O)[C@H]3OC)[C@@H](OC)[C@H]2O)C1(C)C"
"CHEMBL263886"	"MODITHROMYCIN"	"EDP-013420|EDP-420|EP-13420|MODITHROMYCIN"	"Small molecule"	"2"	"841.02"	"12"	"245"	"3.70"	"205.72"	"16"	"2"	"2"	"8"	"N"	"0.22"	"9.78"	"8.36"	"4.11"	"3.25"	"2"	"MOL"	"0"	"60"	"17"	"2"	"2"	"840.4633"	"NEUTRAL"	"C43H64N6O11"	"CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)/C(=N\C(C)=O)[C@H](C)[C@@H](OC/C(=N\OCc3ccc(-n4cccn4)nc3)CO2)[C@]1(C)O"
"CHEMBL4594229"	"PROPIKACIN"	"PROPIKACIN|UK-31,214|UK-31214"	"Small molecule"	"0"	"557.60"	""	""	"-8.34"	"314.87"	"17"	"13"	"3"	"10"	"N"	"0.12"	"12.39"	"9.41"	"-8.06"	"-13.54"	"0"	"MOL"	"0"	"38"	"17"	"17"	"3"	"557.2908"	"BASE"	"C21H43N5O12"	"NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](NC(CO)CO)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O"
"CHEMBL2269543"	"ANTIBIOTIC DA2B"	""	"Small molecule"	"0"	"529.54"	"17"	"19"	"0.82"	"189.00"	"11"	"6"	"3"	"4"	"N"	"0.26"	"8.20"	"9.39"	"1.01"	"0.35"	"2"	"MOL"	"-1"	"38"	"11"	"7"	"3"	"529.1948"	"BASE"	"C27H31NO10"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)O)CC3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"
"CHEMBL2109091"	"ENRAMYCIN"	"ENDURACIDIN|ENRAMYCIN"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL1950493"	"NEOMYCIN TRISULFATE HYDRATE"	"Neomycin Trisulfate Hydrate|Neomycin Trisulfate Trihydrate"	"Small molecule"	"0"	"730.74"	"11"	"34"	"-8.90"	"353.11"	"19"	"13"	"3"	"9"	"N"	"0.11"	"12.15"	"9.71"	"-8.42"	"-15.47"	"0"	"MOL"	"-1"	"42"	"19"	"19"	"3"	"614.3123"	"BASE"	"C23H50N6O18S"	"NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O.O=S(=O)(O)O"
"CHEMBL3989417"	"ETAMOCYCLINE"	"ETAMOCYCLINE"	"Small molecule"	"0"	"1001.06"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1000.4066"	"None"	"C50H60N6O16"	"CN(CCN(C)CNC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O)CNC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O"
"CHEMBL2104433"	"PRIMYCIN"	"CHINOPRICIN|DEBRYCIN|PRIMYCIN|PRIMYCIN A1"	"Small molecule"	"0"	"1078.43"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1077.7287"	"None"	"C55H103N3O17"	"CCCCC1C(=O)OC(C(C)C(O)CCCNC(=N)N)C(C)/C=C(\C)CCCCC(O)CC(O)CC(O)CC(O)CC(O)C(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)/C=C(\C)C(O)CCCC(O)CCCC(O)CCC(C)C1O"
"CHEMBL3545364"	"GEPOTIDACIN MESYLATE"	"GEPOTIDACIN MESILATE DIHYDRATE|GEPOTIDACIN MESYLATE|GEPOTIDACIN MESYLATE DIHYDRATE|GSK-2140944E|GSK2140944E"	"Small molecule"	"0"	"580.66"	""	""	"1.09"	"94.28"	"9"	"1"	"0"	"5"	"N"	"0.62"	"None"	"8.62"	"0.16"	"-1.09"	"3"	"MOL"	"0"	"33"	"9"	"1"	"0"	"448.2223"	"BASE"	"C25H36N6O8S"	"CS(=O)(=O)O.O.O.O=c1ccc2ncc(=O)n3c2n1C[C@H]3CN1CCC(NCc2cc3c(cn2)OCCC3)CC1"
"CHEMBL267216"	""	""	"Small molecule"	"0"	"1316.21"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1314.3967"	"None"	"C67H68Cl2N6O18"	"COC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)c3cc(Oc4ccc(CC(NC(=O)OCc5ccccc5)C(=O)O)cc4Cl)c(O)c(c3)Oc3ccc(cc3Cl)C2O)c2ccc(O)c(c2)-c2c1cc(O)c(CNC1C3CC4CC(C3)CC1C4)c2O"
"CHEMBL2104756"	"AMICYCLINE"	"AMICYCLINE"	"Small molecule"	"0"	"429.43"	""	""	"-0.30"	"187.41"	"9"	"6"	"1"	"2"	"N"	"0.21"	"2.99"	"8.61"	"-3.43"	"-3.53"	"1"	"MOL"	"0"	"31"	"10"	"8"	"1"	"429.1536"	"ZWITTERION"	"C21H23N3O7"	"CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(ccc(N)c4O)C[C@H]3C[C@@H]12"
"CHEMBL32838"	"FUMAGILLIN"	"(-)-FUMAGILLIN|AMEBACILIN|FUMAGILLIN|Fumidil|NSC-9168|ZGN-201"	"Small molecule"	"0"	"458.55"	"31"	"77"	"3.92"	"97.89"	"6"	"1"	"0"	"10"	"N"	"0.17"	"4.64"	"None"	"4.05"	"1.36"	"0"	"MOL"	"0"	"33"	"7"	"1"	"0"	"458.2305"	"ACID"	"C26H34O7"	"CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)CO2"
"CHEMBL2104401"	"DETORUBICIN"	"DETORUBICIN"	"Small molecule"	"0"	"673.67"	"2"	"19"	"0.95"	"230.60"	"15"	"5"	"2"	"11"	"N"	"0.11"	"8.00"	"9.03"	"1.86"	"1.43"	"2"	"MOL"	"0"	"48"	"15"	"6"	"3"	"673.2371"	"BASE"	"C33H39NO14"	"CCOC(OCC)C(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O"
"CHEMBL2304317"	""	""	"Unknown"	"0"	"1571.05"	"5"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1569.5954"	"None"	"C74H92ClN11O25"	"CNC(=O)[C@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)[C@H](O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)Oc3ccc(cc3)[C@H]2O[C@H]2C[C@](C)(N)[C@@H](O)[C@H](C)O2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21"
"CHEMBL217475"	""	""	"Small molecule"	"0"	"1297.13"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1295.3406"	"None"	"C64H59Cl2N9O17"	"NCCCCCCNC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21"
"CHEMBL3989633"	"PEPLOMYCIN SULFATE"	"NK-631|NSC-276382|PEPLEO|PEPLEOMYCIN|PEPLOMYCIN SULFATE|PEPLOMYCIN SULFATE SALT"	"Small molecule"	"0"	"1571.69"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1472.5813"	"None"	"C61H90N18O25S3"	"Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCN[C@@H](C)c3ccccc3)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1.O=S(=O)(O)O"
"CHEMBL2110756"	"MITEMCINAL"	"MITEMCINAL"	"Small molecule"	"2"	"755.99"	""	""	"4.53"	"151.68"	"13"	"2"	"2"	"9"	"N"	"0.32"	"12.63"	"9.63"	"4.90"	"2.68"	"0"	"MOL"	"0"	"53"	"13"	"2"	"2"	"755.4820"	"BASE"	"C40H69NO12"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC"
"CHEMBL1909065"	"MADURAMICIN"	"CL 273,703|MADURAMICIN"	"Small molecule"	"0"	"917.14"	"107"	"266"	"4.32"	"208.75"	"16"	"4"	"2"	"13"	"N"	"0.20"	"4.01"	"None"	"4.77"	"1.62"	"0"	"MOL"	"0"	"64"	"17"	"4"	"2"	"916.5396"	"ACID"	"C47H80O17"	"CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC"
"CHEMBL2107342"	"GAMITHROMYCIN"	"GAMITHROMYCIN|ML-1,709,460|ML-1709460|ML-460|ZACTRAN"	"Small molecule"	"0"	"777.05"	""	""	"2.68"	"180.08"	"14"	"5"	"2"	"9"	"N"	"0.22"	"12.46"	"9.95"	"2.98"	"-1.15"	"0"	"MOL"	"0"	"54"	"14"	"5"	"2"	"776.5398"	"BASE"	"C40H76N2O12"	"CCCN1C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H]1C"
"CHEMBL1505471"	"LOMOFUNGIN"	"LOMOFUNGIN|NSC-106995|NSC-156939|U-24,792|U-24792"	"Small molecule"	"0"	"314.25"	"100"	"125"	"1.50"	"129.84"	"8"	"3"	"0"	"2"	"N"	"0.37"	"5.69"	"None"	"2.52"	"0.76"	"3"	"MOL"	"0"	"23"	"8"	"3"	"0"	"314.0539"	"ACID"	"C15H10N2O6"	"COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12"
"CHEMBL2303619"	"CHROMOMYCIN A3"	"ABURAMYCIN B|CHROMOMYCIN A3|Chromomycin A3|NSC-58514|TOYOMYCIN"	"Small molecule"	"0"	"1183.26"	"12"	"20"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1182.5094"	"None"	"C57H82O26"	"CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@@H]5C[C@@H](O)[C@@H](OC)[C@@H](C)O5)[C@@H](OC(C)=O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@@H](OC(C)=O)[C@H](C)O3)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1"
"CHEMBL2105946"	"AMBOMYCIN"	"AMBOMYCIN"	"Protein"	"0"	"395.38"	""	""	"-2.31"	"228.46"	"6"	"4"	"0"	"13"	"N"	"0.15"	"3.60"	"9.30"	"-6.65"	"-6.91"	"0"	"BOTH"	"0"	"28"	"13"	"5"	"1"	"395.1553"	"ZWITTERION"	"C15H21N7O6"	"C[C@H](N)C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)N[C@H](CCC(=O)C=[N+]=[N-])C(=O)O"
"CHEMBL2104626"	"QUINDOXIN"	"ICI 8173|ICI-8173|NSC-193508|NSC-21653|QUINDOXIN"	"Small molecule"	"0"	"162.15"	""	""	"0.11"	"53.88"	"2"	"0"	"0"	"0"	"Y"	"0.41"	"None"	"1.29"	"-0.90"	"-0.90"	"2"	"MOL"	"0"	"12"	"4"	"0"	"0"	"162.0429"	"NEUTRAL"	"C8H6N2O2"	"[O-][n+]1cc[n+]([O-])c2ccccc21"
"CHEMBL2109089"	"ENDOMYCIN"	"ENDOMYCIN"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2106399"	"KITASAMYCIN"	"ACETYLKITASAMYCIN|KITASAMYCIN|KITASAMYCIN TARTRATE|LEUCOMYCIN"	"Small molecule"	"0"	"785.97"	"109"	"274"	"2.44"	"199.98"	"15"	"4"	"2"	"11"	"N"	"0.18"	"12.68"	"7.90"	"2.78"	"2.16"	"0"	"MOL"	"0"	"55"	"15"	"4"	"2"	"785.4562"	"NEUTRAL"	"C40H67NO14"	"CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O"
"CHEMBL2108145"	"NIFUNGIN"	"18894|NIFUNGIN"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2108254"	"ARDACIN"	"AAD 216|AAD-216|ARDACIN|ARIDICIN|SK&F 100814"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL3989415"	"RIFAMIDE"	"N,N-DIETHYLRIFOMYCIN B AMIDE|NCI-143-418|NSC-133099|NSC-143418|RIFAMIDE|RIFAMYCIN B DIETHYLAMIDE|RIFAMYCIN DIETHYLAMIDE|RIFAMYCIN M-14|RIFOMYCIN M14"	"Small molecule"	"0"	"810.94"	""	""	"5.30"	"210.62"	"13"	"5"	"3"	"7"	"N"	"0.18"	"7.09"	"None"	"4.15"	"3.66"	"2"	"MOL"	"0"	"58"	"15"	"5"	"3"	"810.3939"	"NEUTRAL"	"C43H58N2O13"	"CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4"
"CHEMBL3989421"	"ANTHELMYCIN"	"(-)-HIKIZIMYCIN|33876|ANTELMYCIN|ANTHELMYCIN|HIKIZIMYCIN|NSC-337588"	"Small molecule"	"0"	"583.55"	""	""	"-8.64"	"342.94"	"19"	"13"	"3"	"10"	"N"	"0.12"	"12.28"	"15.22"	"-8.56"	"-11.09"	"1"	"MOL"	"0"	"40"	"19"	"16"	"3"	"583.2337"	"BASE"	"C21H37N5O14"	"Nc1ccn([C@@H]2O[C@H]([C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](N)[C@H](O)[C@H]2O)c(=O)n1"
"CHEMBL3989435"	"CARBOMYCIN"	"CARBOMYCIN|Magnamycin"	"Small molecule"	"0"	"841.99"	""	""	"2.43"	"215.42"	"17"	"2"	"2"	"12"	"N"	"0.12"	"12.71"	"7.20"	"2.95"	"2.74"	"0"	"MOL"	"0"	"59"	"17"	"2"	"2"	"841.4460"	"NEUTRAL"	"C42H67NO16"	"CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/[C@@H]2O[C@@H]2C[C@@H](C)OC(=O)C[C@H]1OC(C)=O"
"CHEMBL3989700"	"COUMERMYCIN"	"COUMAMYCIN|COUMERMYCIN|NOTOMYCIN A1|NSC-107412"	"Small molecule"	"0"	"1110.09"	"7"	"14"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1109.3753"	"None"	"C55H59N5O20"	"CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4c[nH]c(C(=O)Nc5c(O)c6ccc(O[C@H]7OC(C)(C)[C@H](OC)[C@@H](OC(=O)c8ccc(C)[nH]8)[C@H]7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C"
"CHEMBL3989899"	"PIRLIMYCIN HYDROCHLORIDE"	"PIRLIMYCIN HCL|PIRLIMYCIN HYDROCHLORIDE|PIRLIMYCIN HYDROCHLORIDE HYDRATE|U-57,930E|U-57930E"	"Small molecule"	"0"	"465.44"	""	""	"0.05"	"111.05"	"7"	"5"	"0"	"6"	"N"	"0.39"	"12.41"	"8.88"	"0.58"	"-0.91"	"0"	"MOL"	"0"	"26"	"7"	"5"	"0"	"410.1642"	"BASE"	"C17H34Cl2N2O6S"	"CC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1.Cl.O"
"CHEMBL405708"	""	""	"Small molecule"	"0"	"1158.62"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1157.3897"	"None"	"C58H60ClN9O15"	"CNC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C(CC(N)=O)NC(=O)C(N)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3)C2O)c2ccc(O)c(c2)-c2c1cc(O)c(CNC1C3CC4CC(C3)CC1C4)c2O"
"CHEMBL3188205"	""	""	"Small molecule"	"0"	"908.89"	"2"	"4"	"-8.90"	"353.11"	"19"	"13"	"3"	"9"	"N"	"0.11"	"12.15"	"9.71"	"-8.42"	"-15.47"	"0"	"MOL"	"-1"	"42"	"19"	"19"	"3"	"614.3123"	"BASE"	"C23H52N6O25S3"	"NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O"
"CHEMBL2105869"	"ROSARAMICIN SODIUM PHOSPHATE"	"ROSAMICIN SODIUM PHOSPHATE|ROSARAMICIN SODIUM PHOSPHATE|SCH 14947.NAH2P04"	"Small molecule"	"0"	"701.72"	""	""	"2.67"	"135.13"	"10"	"2"	"1"	"6"	"N"	"0.27"	"12.82"	"7.68"	"2.68"	"2.21"	"0"	"MOL"	"0"	"41"	"10"	"2"	"1"	"581.3564"	"NEUTRAL"	"C31H53NNaO13P"	"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C.O=P([O-])(O)O.[Na+]"
"CHEMBL8965"	"ROSARAMICIN"	"4'-DEOXYCIRRAMYCIN A1|CIRRAMYCIN A1, 4'-DEOXY-|JUVENIMICIN A3|M-4365A2|NSC-175150|ROSAMICIN|ROSARAMICIN|Rosaramicin|SCH 14947|SCH-14947"	"Small molecule"	"0"	"581.75"	"4"	"13"	"2.67"	"135.13"	"10"	"2"	"1"	"6"	"N"	"0.27"	"12.82"	"7.68"	"2.68"	"2.21"	"0"	"MOL"	"0"	"41"	"10"	"2"	"1"	"581.3564"	"NEUTRAL"	"C31H51NO9"	"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C"
"CHEMBL216886"	""	""	"Small molecule"	"0"	"1209.48"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1208.2478"	"None"	"C51H52N16O8S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCCN=C(N)N)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL2108146"	"METHOCIDIN"	"ARGICILLIN|HYDROXYMETHYL GRAMICIDIN|HYDROXYMETHYLGRAMICIDIN|METHOCIDIN"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2105824"	"PIPACYCLINE"	"MEPICYCLINE|NSC-69335|PIPACYCLINE"	"Small molecule"	"0"	"586.64"	""	""	"-1.02"	"194.34"	"12"	"7"	"3"	"6"	"N"	"0.20"	"3.00"	"8.18"	"-4.19"	"-4.23"	"1"	"MOL"	"0"	"42"	"13"	"7"	"3"	"586.2639"	"ACID"	"C29H38N4O9"	"CN(C)[C@@H]1C(O)=C(C(=O)NCN2CCN(CCO)CC2)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12"
"CHEMBL2108548"	"OLIVOMYCIN"	"NSC-76411|OLIVOMYCIN|OLIVOMYCINS"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL3833352"	"VIRGINIAMYCIN"	"SK&F 7988|Stafac|VIRGINIAMYCIN"	"Small molecule"	"0"	"1349.51"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1348.6016"	"None"	"C71H84N10O17"	"CC1=C\[C@@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(=O)NC\C=C\1.CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C1=O"
"CHEMBL2108121"	"PELIOMYCIN"	"PELIOMYCIN"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2109115"	"BOTULISM ANTITOXIN"	"BOTULINUM ANTITOXIN|BOTULISM ANTITOXIN"	"Unknown"	"1"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2103892"	"PALDIMYCIN B"	"ANTIBIOTIC 273A1.BETA.|PALDIMYCIN B"	"Small molecule"	"0"	"1099.17"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1098.2967"	"None"	"C43H62N4O23S3"	"CO[C@H]1C[C@H](O[C@H]2[C@@H](O)C([C@@]3(O)CC(=O)C(N)=C(C(=O)O)C3=O)O[C@H](COC(C)=O)[C@H]2OC(=O)C(NC(=S)SC[C@H](NC(C)=O)C(=O)O)C(C)SC[C@H](NC(C)=O)C(=O)O)O[C@@H](C)[C@]1(O)[C@@H](C)OC(=O)C(C)C"
"CHEMBL2106517"	"DEMECYCLINE"	"A IX|CL 22415|CL-22415|DEMECYCLINE"	"Small molecule"	"0"	"430.41"	""	""	"-0.39"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.34"	"2.87"	"8.18"	"-3.76"	"-3.98"	"1"	"MOL"	"0"	"31"	"10"	"7"	"1"	"430.1376"	"ACID"	"C21H22N2O8"	"CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@H](O)[C@H]3C[C@@H]12"
"CHEMBL1200599"	"DIFENOXIN HYDROCHLORIDE"	"DIFENOXIN HCL|DIFENOXIN HYDROCHLORIDE|DIFENOXINE HYDROCHLORIDE|R 15,403|R-15403"	"Small molecule"	"4"	"461.00"	""	""	"5.00"	"64.33"	"3"	"1"	"1"	"7"	"N"	"0.58"	"3.38"	"9.41"	"2.65"	"2.65"	"3"	"MOL"	"0"	"32"	"4"	"1"	"1"	"424.2151"	"ZWITTERION"	"C28H29ClN2O2"	"Cl.N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1"
"CHEMBL2104434"	"ROSARAMICIN STEARATE"	"ROSAMICIN OCTADECANOATE (SALT)|ROSAMICIN STEARATE|ROSARAMICIN STEARATE|SCH 14947 STEARATE"	"Small molecule"	"0"	"866.23"	""	""	"2.67"	"135.13"	"10"	"2"	"1"	"6"	"N"	"0.27"	"12.82"	"7.68"	"2.68"	"2.21"	"0"	"MOL"	"0"	"41"	"10"	"2"	"1"	"581.3564"	"NEUTRAL"	"C49H87NO11"	"CCCCCCCCCCCCCCCCCC(=O)O.CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C"
"CHEMBL3989814"	"MIRINCAMYCIN HYDROCHLORIDE"	"MARINCAMYCIN HYDROCHLORIDE|MIRINCAMYCIN HCL|MIRINCAMYCIN HYDROCHLORIDE|U 24729A|U-24,729A|U-24729A"	"Small molecule"	"0"	"475.48"	""	""	"0.83"	"111.05"	"7"	"5"	"0"	"9"	"N"	"0.27"	"12.42"	"9.96"	"1.54"	"-0.93"	"0"	"MOL"	"0"	"28"	"7"	"5"	"0"	"438.1955"	"BASE"	"C19H36Cl2N2O5S"	"CCCCC[C@H]1CN[C@H](C(=O)N[C@@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1.Cl"
"CHEMBL437815"	""	""	"Small molecule"	"0"	"1178.23"	"3"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1177.4829"	"None"	"C56H67N13O16"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(-c4ccc(OCc5ccccc5)cc4)oc3c2)NC1=O"
"CHEMBL3215341"	""	""	"Small molecule"	"0"	"1908.72"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1906.5831"	"None"	"C89H100Cl2N10O33"	"CNC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(N)c5ccc(O)c(c5)Oc5cc(O)cc4c5)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3NC(=O)CCCCCCC(C)C)Oc3ccc(cc3Cl)C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2NC(C)=O)c2ccc(O)c(c2)-c2c(O[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)cc(O)cc21"
"CHEMBL2304314"	""	""	"Unknown"	"0"	"1787.72"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1785.6296"	"None"	"C87H101Cl2N11O26"	"CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)c(CNCc5ccc(-c6ccc(Cl)cc6)cc5)c(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(cc3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O"
"CHEMBL2108498"	"HAMYCIN"	"HAMYCIN"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2109188"	"FUSAFUNGINE"	"BIOPAROX|FUSAFUNGIN|FUSAFUNGINE|FUSARINE|LOCABIOSOL|LOCABIOTAL|S 314|S-314"	"Unknown"	"4"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2106036"	"TERDECAMYCIN"	"TERDECAMYCIN"	"Small molecule"	"0"	"585.70"	""	""	"2.11"	"142.55"	"9"	"2"	"1"	"3"	"N"	"0.29"	"11.93"	"6.89"	"2.48"	"2.36"	"0"	"MOL"	"0"	"42"	"11"	"2"	"2"	"585.3050"	"NEUTRAL"	"C31H43N3O8"	"CC(=O)C(=O)N[C@@H]1/C=C(C)/C=C/[C@@H](OC(=O)N2CCN(C)CC2)C/C=C(C)/C=C/[C@@H](O)C[C@H]2OC(=O)[C@]1(C)C(=O)[C@@H]2C"
"CHEMBL2106182"	"ERYTHROMYCIN ETHYLCARBONATE"	"ERYTHROMYCIN ETHYLCARBONATE"	"Small molecule"	"0"	"806.00"	""	""	"2.97"	"209.21"	"16"	"4"	"2"	"9"	"N"	"0.25"	"12.68"	"7.66"	"4.01"	"3.56"	"0"	"MOL"	"0"	"56"	"16"	"4"	"2"	"805.4824"	"NEUTRAL"	"C40H71NO15"	"CCOC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C"
"CHEMBL424911"	""	""	"Small molecule"	"0"	"1196.48"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1195.2413"	"None"	"C52H53N13O9S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCCCCO)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL3989414"	"PENIMOCYCLINE"	"PENIMOCYCLINE"	"Small molecule"	"0"	"805.86"	""	""	"0.34"	"266.37"	"14"	"9"	"3"	"9"	"N"	"0.09"	"2.81"	"8.18"	"-4.89"	"-6.16"	"2"	"MOL"	"0"	"57"	"17"	"9"	"3"	"805.2629"	"ACID"	"C39H43N5O12S"	"CN(C)[C@@H]1C(O)=C(C(=O)NCN[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)c2ccccc2)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12"
"CHEMBL2107132"	"NITROCYCLINE"	"NITROCYCLINE"	"Small molecule"	"0"	"459.41"	""	""	"0.03"	"204.53"	"10"	"5"	"0"	"3"	"N"	"0.23"	"2.64"	"8.51"	"-2.69"	"-4.27"	"1"	"MOL"	"0"	"33"	"12"	"6"	"2"	"459.1278"	"ZWITTERION"	"C21H21N3O9"	"CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc([N+](=O)[O-])c4C[C@H]3C[C@@H]12"
"CHEMBL3989599"	"MIROSAMICIN"	"14-HYDROXYMYCINAMICIN I|MIROSAMICIN"	"Small molecule"	"0"	"727.89"	""	""	"1.76"	"175.21"	"14"	"3"	"2"	"9"	"N"	"0.23"	"11.95"	"8.38"	"3.48"	"2.46"	"0"	"MOL"	"0"	"51"	"14"	"3"	"2"	"727.4143"	"NEUTRAL"	"C37H61NO13"	"CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@@H]2O[C@H]2[C@]1(O)CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC"
"CHEMBL406100"	"SEMDURAMICIN SODIUM"	"AVIAX|SEMDURAMICIN SODIUM|SEMDURAMICIN SODIUM SALT|SODIUM SEMDURAMICIN|UK-61,689-2|UK-61689-2"	"Small molecule"	"0"	"895.07"	"1"	"2"	"4.04"	"210.52"	"15"	"5"	"2"	"11"	"N"	"0.20"	"3.95"	"None"	"4.20"	"1.01"	"0"	"MOL"	"0"	"61"	"16"	"5"	"2"	"872.5133"	"ACID"	"C45H75NaO16"	"CO[C@H]1CC[C@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)[O-])[C@@H](C)[C@H](O)[C@H]5OC)O4)O3)O2)O[C@@H]1C.[Na+]"
"CHEMBL2106491"	"CETOCYCLINE HYDROCHLORIDE"	".BETA.-CHELOCARDIN HYDROCHLORIDE|ABBOTT-40728|CETOCYCLINE HYDROCHLORIDE|CETOTETRINE HYDROCHLORIDE|CHELOCARDIN HYDROCHLORIDE|CHELOCARDIN MONOHYDROCHLORIDE"	"Small molecule"	"0"	"447.87"	"10"	"13"	"1.27"	"158.15"	"8"	"5"	"0"	"1"	"N"	"0.35"	"2.45"	"7.86"	"-0.06"	"-0.19"	"2"	"MOL"	"0"	"30"	"8"	"6"	"1"	"411.1318"	"ACID"	"C22H22ClNO7"	"CC(=O)C1=C(O)[C@H](N)[C@@H]2Cc3c(c(O)c4c(O)c(C)ccc4c3C)C(=O)[C@]2(O)C1=O.Cl"
"CHEMBL2110884"	"CETOCYCLINE"	".BETA.-CHELOCARDIN|CETOCYCLINE|CETOTETRINE|CHELOCARDIN|TRI-CHELOCARDIN"	"Small molecule"	"0"	"411.41"	""	""	"1.27"	"158.15"	"8"	"5"	"0"	"1"	"N"	"0.35"	"2.45"	"7.86"	"-0.06"	"-0.19"	"2"	"MOL"	"0"	"30"	"8"	"6"	"1"	"411.1318"	"ACID"	"C22H21NO7"	"CC(=O)C1=C(O)[C@H](N)[C@@H]2Cc3c(c(O)c4c(O)c(C)ccc4c3C)C(=O)[C@]2(O)C1=O"
"CHEMBL3990013"	"NIVOBOTULINUMTOXIN A"	"MT-10109|MT10109|NIVOBOTULINUMTOXIN A"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"SEQ"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2104567"	"OXIMONAM"	"OXIMONAM|SQ 82291|SQ-82291"	"Small molecule"	"0"	"357.35"	""	""	"-1.19"	"156.44"	"9"	"3"	"0"	"7"	"N"	"0.31"	"2.92"	"3.53"	"-1.31"	"-4.05"	"1"	"MOL"	"0"	"24"	"11"	"4"	"1"	"357.0743"	"ACID"	"C12H15N5O6S"	"CO/N=C(\C(=O)N[C@@H]1C(=O)N(OCC(=O)O)[C@H]1C)c1csc(N)n1"
"CHEMBL1013"	"LORACARBEF"	"LORACARBEF|LY-163892|Lorabid|Loracarbef hydrate"	"Small molecule"	"4"	"349.77"	"49"	"140"	"0.71"	"112.73"	"4"	"3"	"0"	"4"	"N"	"0.69"	"2.93"	"7.23"	"-2.40"	"-2.76"	"1"	"MOL"	"0"	"24"	"7"	"4"	"0"	"349.0829"	"ACID"	"C16H16ClN3O4"	"N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1"
"CHEMBL407397"	""	""	"Small molecule"	"0"	"1334.13"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1332.2341"	"None"	"C65H50Cl2N8O18S"	"O=C1NC2C(=O)NC3C(=O)NC4C(=O)NC(C(=O)N[C@@H](C(=O)O)c5cc(O)cc(O)c5-c5cc4ccc5O)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)CC1NC(=O)C(/N=C(\S)Nc1ccccc1)c1ccc(O)c(c1)Oc1cc(O)cc2c1"
"CHEMBL2104129"	"BETAMICIN SULFATE"	"BETAMICIN SULFATE|BETAMICIN SULPHATE|NSC-180972|SCH 14342"	"Small molecule"	"0"	"580.61"	""	""	"-6.00"	"248.39"	"14"	"10"	"2"	"6"	"N"	"0.17"	"12.05"	"9.59"	"-5.72"	"-11.26"	"0"	"MOL"	"0"	"33"	"14"	"13"	"2"	"482.2588"	"BASE"	"C19H40N4O14S"	"CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)OC[C@]1(C)O.O=S(=O)(O)O"
"CHEMBL217685"	""	""	"Small molecule"	"0"	"1211.49"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1210.2522"	"None"	"C52H54N14O9S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCCNCCO)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL3989598"	"LUCIMYCIN"	"ETRUSCOMICINA|ETRUSCOMYCIN|FI-1163|LEUCENSOMYCIN|LUCENSOMYCIN|LUCIMYCIN|NSC-143257"	"Small molecule"	"0"	"707.81"	""	""	"1.29"	"230.99"	"13"	"7"	"3"	"6"	"N"	"0.15"	"3.69"	"9.11"	"-0.28"	"-0.29"	"0"	"MOL"	"0"	"50"	"14"	"8"	"3"	"707.3517"	"ZWITTERION"	"C36H53NO13"	"CCCCC1C/C=C/C=C/C=C/C=C/C(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC2OC(O)(CC(O)CC3OC3/C=C/C(=O)O1)CC(O)C2C(=O)O"
"CHEMBL2109120"	"DIPHTHERIA TOXIN FOR SCHICK TEST"	"DIPHTHERIA TOXIN FOR SCHICK TEST|DIPHTHERIA TOXIN, DIAGNOSTIC"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL300049"	"ALEMCINAL"	"A-81229|ABBOTT-81229.0|ABT-229|ALEMCINAL|Alemcinal"	"Small molecule"	"0"	"697.95"	"4"	"5"	"5.20"	"125.38"	"11"	"2"	"3"	"8"	"N"	"0.33"	"12.82"	"9.35"	"4.56"	"2.62"	"0"	"MOL"	"0"	"49"	"11"	"2"	"3"	"697.4765"	"BASE"	"C38H67NO10"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C"
"CHEMBL2304061"	""	""	"Unknown"	"0"	"1648.96"	"1"	"2"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1646.4855"	"None"	"C79H85Cl3N10O23"	"CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCc4ccc(-c5ccc(Cl)cc5)cc4)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)C(O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O"
"CHEMBL2106400"	"LAIDLOMYCIN PROPIONATE POTASSIUM"	"LAIDLOMYCIN PROPIONATE POTASSIUM|POTASSIUM LAIDLOMYCIN PROPANOATE|RS-11988"	"Small molecule"	"0"	"793.05"	""	""	"5.15"	"176.51"	"12"	"3"	"3"	"12"	"N"	"0.22"	"4.17"	"None"	"5.93"	"2.88"	"0"	"MOL"	"0"	"53"	"13"	"3"	"3"	"754.4503"	"ACID"	"C40H65KO13"	"CCC(=O)OC[C@]1(O)O[C@H]([C@H]2C[C@H](C)[C@H]([C@]3(C)CC[C@H]([C@]4(C)CC[C@]5(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC(=O)CC)[C@H](C)C(=O)[O-])O5)O4)O3)O2)[C@@H](C)C[C@H]1C.[K+]"
"CHEMBL269379"	""	""	"Small molecule"	"0"	"1333.07"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1331.2566"	"None"	"C66H51Cl2N7O20"	"O=C(NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)O)NC3=O)OCc1ccccc1"
"CHEMBL217361"	""	""	"Small molecule"	"0"	"1456.36"	"6"	"10"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1454.4454"	"None"	"C75H72Cl2N10O17"	"CCCCc1ccc(CN2CCN(Cc3c(O)cc4c(c3O)-c3cc(ccc3O)C3NC(=O)C5NC(=O)C6NC(=O)C(Cc7ccc(c(Cl)c7)Oc7cc5cc(c7O)Oc5ccc(cc5Cl)C(O)C(NC3=O)C(=O)N[C@H]4C(=O)NC)NC(=O)C(N)c3ccc(O)c(c3)Oc3cc(O)cc6c3)CC2)cc1"
"CHEMBL3989443"	"CARUBICIN HYDROCHLORIDE"	"CARMINOMYCIN HYDROCHLORIDE|CARUBICIN HCL|CARUBICIN HYDROCHLORIDE|NSC-275649"	"Small molecule"	"0"	"549.96"	""	""	"0.73"	"196.84"	"11"	"6"	"3"	"3"	"N"	"0.27"	"7.78"	"9.95"	"1.76"	"1.53"	"2"	"MOL"	"0"	"37"	"11"	"7"	"3"	"513.1635"	"BASE"	"C26H28ClNO10"	"CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O.Cl"
"CHEMBL263170"	""	""	"Small molecule"	"0"	"1353.60"	"2"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1352.2789"	"None"	"C58H60N14O13S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)N[C@@H](CC(=O)O)C(=O)NCCCCCC(=O)O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL1201071"	"TETRACYCLINE PHOSPHATE COMPLEX"	"TETRACYCLINE HEXAMETAPHOSPHATE|TETRACYCLINE METAPHOSPHATE|TETRACYCLINE PHOSPHATE COMPLEX|Tetrex"	"Small molecule"	"4"	"542.43"	""	""	"-0.21"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.34"	"2.91"	"8.81"	"-3.47"	"-3.70"	"1"	"MOL"	"0"	"32"	"10"	"7"	"1"	"444.1533"	"ZWITTERION"	"C22H27N2O12P"	"CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.O=P(O)(O)O"
"CHEMBL2219420"	"BRILACIDIN TETRAHYDROCHLORIDE"	"BRILACIDIN TETRAHYDROCHLORIDE|PMX 30063|PMX-30063|PMX30063"	"Small molecule"	"2"	"1082.76"	""	""	"3.68"	"308.50"	"12"	"12"	"3"	"20"	"N"	"0.03"	"11.91"	"12.25"	"0.69"	"-8.70"	"3"	"MOL"	"0"	"66"	"20"	"14"	"3"	"936.3942"	"BASE"	"C40H54Cl4F6N14O6"	"Cl.Cl.Cl.Cl.N=C(N)NCCCCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)cc(NC(=O)CCCCNC(=N)N)c3O[C@@H]3CCNC3)ncn2)c1O[C@@H]1CCNC1"
"CHEMBL2109112"	"BLASTOMYCIN"	"ANTIMYCIN A3|BLASTMYCIN|BLASTOMYCIN|NSC-58239"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2107141"	"ORPANOXIN"	"F-776|ORPANOXIN"	"Small molecule"	"0"	"266.68"	""	""	"3.11"	"70.67"	"3"	"2"	"0"	"4"	"N"	"0.89"	"4.42"	"None"	"2.21"	"-0.66"	"2"	"MOL"	"0"	"18"	"4"	"2"	"0"	"266.0346"	"ACID"	"C13H11ClO4"	"O=C(O)CC(O)c1ccc(-c2ccc(Cl)cc2)o1"
"CHEMBL2108770"	"SCARLET FEVER STREPTOCOCCUS TOXIN"	"DICK TEST|SCARLET FEVER STREPTOCOCCUS TOXIN"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2108066"	"OZOGAMICIN"	"OZOGAMICIN"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL444020"	""	""	"Small molecule"	"0"	"1152.95"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1151.2606"	"None"	"C56H51Cl2N5O18"	"COC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)c3cc(Oc4ccc(CC(NC(=O)OCc5ccccc5)C(=O)O)cc4Cl)c(O)c(c3)Oc3ccc(cc3Cl)C2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21"
"CHEMBL2105868"	"ROLITETRACYCLINE NITRATE"	"BRISTACIN|PYRROCYCLINE-N|ROLITETRACYCLINE NITRATE"	"Small molecule"	"0"	"590.59"	""	""	"0.47"	"170.87"	"10"	"6"	"2"	"4"	"N"	"0.30"	"2.91"	"8.18"	"-2.81"	"-2.93"	"1"	"MOL"	"0"	"38"	"11"	"6"	"3"	"527.2268"	"ACID"	"C27H34N4O11"	"CN(C)[C@@H]1C(O)=C(C(=O)NCN2CCCC2)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.O=[N+]([O-])O"
"CHEMBL2103891"	"PALDIMYCIN A"	"ANTIBIOTIC 273A1.ALPHA.|PALDIMYCIN A"	"Small molecule"	"0"	"1127.23"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1126.3280"	"None"	"C45H66N4O23S3"	"CC[C@H](C)C(=O)O[C@@H](C)[C@@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@@H](O)[C@H]([C@@]3(O)CC(=O)C(N)=C(C(=O)O)C3=O)O[C@H](COC(C)=O)[C@H]2OC(=O)C(CC(C)SC[C@H](NC(C)=O)C(=O)O)NC(=S)SC[C@H](NC(C)=O)C(=O)O)C[C@@H]1OC"
"CHEMBL2107918"	"ORIENTIPARCIN"	"ORIENTIPARCIN"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2108441"	"MITOGILLIN"	"MITOGILLIN|NSC-69529|RIBONUCLEASE MITOGILLIN"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2111127"	"OXIFUNGIN"	"OXIFUNGIN"	"Small molecule"	"0"	"240.27"	""	""	"2.12"	"58.54"	"5"	"2"	"0"	"3"	"N"	"0.86"	"None"	"6.71"	"1.58"	"1.50"	"2"	"MOL"	"0"	"18"	"5"	"2"	"0"	"240.1011"	"NEUTRAL"	"C13H12N4O"	"c1ccc(OCC2=Nc3cnccc3NN2)cc1"
"CHEMBL2110869"	"LAIDLOMYCIN PROPIONATE"	"LAIDLOMYCIN"	"Small molecule"	"0"	"754.96"	""	""	"5.15"	"176.51"	"12"	"3"	"3"	"12"	"N"	"0.22"	"4.17"	"None"	"5.93"	"2.88"	"0"	"MOL"	"0"	"53"	"13"	"3"	"3"	"754.4503"	"ACID"	"C40H66O13"	"CCC(=O)OC[C@]1(O)O[C@H]([C@H]2C[C@H](C)[C@H]([C@]3(C)CC[C@H]([C@]4(C)CC[C@]5(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC(=O)CC)[C@H](C)C(=O)O)O5)O4)O3)O2)[C@@H](C)C[C@H]1C"
"CHEMBL3990196"	"PEPLOMYCIN"	"PEPLOMYCIN"	"Small molecule"	"0"	"1473.61"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1472.5813"	"None"	"C61H88N18O21S2"	"Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCN[C@@H](C)c3ccccc3)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1"
"CHEMBL2146107"	"OXIMONAM SODIUM"	"OXIMONAM SODIUM|SQ 82629|SQ-82629"	"Small molecule"	"0"	"379.33"	""	""	"-1.19"	"156.44"	"9"	"3"	"0"	"7"	"N"	"0.31"	"2.92"	"3.53"	"-1.31"	"-4.05"	"1"	"MOL"	"0"	"24"	"11"	"4"	"1"	"357.0743"	"ACID"	"C12H14N5NaO6S"	"CO/N=C(\C(=O)N[C@@H]1C(=O)N(OCC(=O)[O-])[C@H]1C)c1csc(N)n1.[Na+]"
"CHEMBL2009312"	"SANCYCLINE"	"6-DEMETHYL-6-DEOXYTETRACYCLINE|Bonomycin|GS 2147|GS-2147|NORCYCLINE|SANCYCLINE"	"Small molecule"	"0"	"414.41"	"5"	"17"	"0.12"	"161.39"	"8"	"5"	"0"	"2"	"N"	"0.43"	"2.96"	"8.29"	"-2.60"	"-2.76"	"1"	"MOL"	"0"	"30"	"9"	"6"	"1"	"414.1427"	"ACID"	"C21H22N2O7"	"CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4C[C@H]3C[C@@H]12"
"CHEMBL2108225"	"AZALOMYCIN"	"AZALOMYCIN"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2108218"	"ALEXOMYCIN"	"ALEXOMYCIN|PNU-82|U-82127"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2105537"	"STEFFIMYCIN"	"NSC-93419|STEFFIMYCIN|U-20,661|U-20661"	"Small molecule"	"0"	"574.54"	""	""	"0.38"	"198.51"	"13"	"5"	"2"	"5"	"N"	"0.28"	"7.08"	"None"	"1.89"	"1.36"	"2"	"MOL"	"0"	"41"	"13"	"5"	"2"	"574.1686"	"NEUTRAL"	"C28H30O13"	"COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1OC)[C@H](OC)[C@](C)(O)C3=O"
"CHEMBL2105321"	"RANIMYCIN"	"RANCINAMYCIN II|RANIMYCIN|U 25873|U-25,873|U-25873"	"Small molecule"	"0"	"258.27"	""	""	"-0.69"	"104.06"	"6"	"3"	"0"	"5"	"N"	"0.45"	"12.70"	"None"	"-0.69"	"-0.69"	"0"	"MOL"	"0"	"18"	"6"	"3"	"0"	"258.1103"	"NEUTRAL"	"C12H18O6"	"CCCCC(=O)OC1C(C=O)=CC(O)C(O)C1O"
"CHEMBL3989795"	"NEUTRAMYCIN"	"AE-705W|CHALCOMYCIN, 6-DEMETHYL-|LL-705W|NEUTRAMYCIN|NEUTRAMYCIN A"	"Small molecule"	"0"	"684.82"	""	""	"2.20"	"164.13"	"13"	"3"	"2"	"8"	"N"	"0.32"	"12.32"	"None"	"2.47"	"2.47"	"0"	"MOL"	"0"	"48"	"13"	"3"	"2"	"684.3721"	"NEUTRAL"	"C35H56O13"	"C=C1/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2OC)CC[C@](C)(O)C(=O)/C=C/[C@@H]2O[C@H]2[C@H](CO[C@@H]2O[C@H](C)C[C@H](OC)[C@H]2O)[C@@H](C)O1"
"CHEMBL3989540"	"RODORUBICIN"	"CYTORHODIN S|RODORUBICIN"	"Small molecule"	"0"	"941.04"	""	""	"3.11"	"241.91"	"19"	"5"	"2"	"9"	"N"	"0.19"	"7.53"	"8.38"	"4.86"	"4.29"	"2"	"MOL"	"0"	"67"	"19"	"5"	"2"	"940.4205"	"NEUTRAL"	"C48H64N2O17"	"CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@@H]4O[C@H]5CC(=O)[C@H](C)O[C@H]5O[C@@H]4[C@H](C)O3)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1O[C@H]1C[C@H](N(C)C)[C@H](O)[C@H](C)O1)C(=O)c1cccc(O)c1C3=O"
"CHEMBL217691"	""	""	"Small molecule"	"0"	"1226.46"	"9"	"11"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1225.2155"	"None"	"C52H51N13O11S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(COC(=O)N[C@@H](C)C(=O)O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL1201321"	"DIFENOXIN"	"ACSCN-9168|DIFENOXIN|DIPHENOXYLATE RELATED COMPOUND A|DIPHENOXYLIC ACID|IDS-ND-007|LYSPAFEN|MCN-JR 15403-11|MCN-JR-15,403-11|R 15,403 [AS HYDROCHLORIDE]|R-15403"	"Small molecule"	"4"	"424.54"	"1"	"2"	"5.00"	"64.33"	"3"	"1"	"1"	"7"	"N"	"0.58"	"3.38"	"9.41"	"2.65"	"2.65"	"3"	"MOL"	"0"	"32"	"4"	"1"	"1"	"424.2151"	"ZWITTERION"	"C28H28N2O2"	"N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1"
"CHEMBL1236670"	"VIRGINIAMYCIN FACTOR M1"	"ANTIBIOTIC PA 114A|ANTIBIOTIC PA 114A1|MIKAMYCIN A|NSC-244426|NSC-87432|OSTREOGRYCIN A|PA-114A|PRISTINAMYCIN IIA|RP-12536|STAPHYLOMYCIN M1|STREPTOGRAMIN A|VERNAMYCIN A|VIRGINIAMYCIN FACTOR M1|VIRGINIAMYCIN M1"	"Small molecule"	"0"	"525.60"	"2"	"13"	"2.66"	"139.04"	"8"	"2"	"1"	"1"	"N"	"0.53"	"13.17"	"None"	"2.38"	"2.38"	"1"	"MOL"	"0"	"38"	"10"	"2"	"1"	"525.2475"	"NEUTRAL"	"C28H35N3O7"	"CC1=C\[C@@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(=O)NC\C=C\1"
"CHEMBL428274"	""	""	"Small molecule"	"0"	"1353.24"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1351.4032"	"None"	"C68H67Cl2N9O17"	"NCCCCCCCCCCNC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21"
"CHEMBL412977"	""	""	"Small molecule"	"0"	"1880.90"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1878.7027"	"None"	"C97H108Cl2N12O23"	"CCCCOc1ccc(CNC2C(Oc3c4cc5cc3Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C5NC(=O)C5NC(=O)C(Cc6ccc(cc6)O4)NC(=O)C(N(C)Cc4ccc(OCCCC)cc4)c4ccc(O)c(c4)Oc4cc(O)c(Cl)c5c4)c4ccc(O)c(c4)-c4c(O)cc(O)cc4[C@H](C(=O)NCCCN(C)C)NC3=O)OC(C(=O)NCCCN(C)C)C(O)C2O)cc1"
"CHEMBL407613"	""	""	"Small molecule"	"0"	"1254.52"	"9"	"11"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1253.2468"	"None"	"C54H55N13O11S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(COC(=O)NCCCCC(=O)O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL415689"	""	""	"Small molecule"	"0"	"971.00"	"2"	"2"	"-8.91"	"437.70"	"21"	"17"	"3"	"11"	"N"	"0.10"	"9.67"	"20.06"	"-8.35"	"-10.71"	"2"	"MOL"	"-1"	"69"	"27"	"19"	"3"	"970.4145"	"BASE"	"C42H58N12O15"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O"
"CHEMBL276498"	""	""	"Small molecule"	"0"	"1180.65"	"11"	"37"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1179.3847"	"None"	"C51H62ClN13O16S"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(SCC(=O)c4ccc(Cl)cc4)oc3c2)NC1=O"
"CHEMBL2103968"	"IDREMCINAL"	"EM-574|EM574|IDREMCINAL"	"Small molecule"	"0"	"743.98"	"1"	"2"	"3.67"	"165.84"	"13"	"4"	"2"	"8"	"N"	"0.27"	"12.46"	"9.63"	"3.40"	"1.18"	"0"	"MOL"	"0"	"52"	"13"	"4"	"2"	"743.4820"	"BASE"	"C39H69NO12"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL59779"	""	""	"Small molecule"	"0"	"869.15"	"2"	"2"	"3.34"	"186.15"	"15"	"4"	"2"	"12"	"N"	"0.21"	"12.54"	"9.57"	"4.19"	"1.39"	"0"	"MOL"	"-1"	"61"	"15"	"4"	"2"	"868.5660"	"BASE"	"C46H80N2O13"	"CC[C@H]1OC(=O)CC(O)[C@H](C)[C@@H](OC2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)CC(C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC"
"CHEMBL301879"	""	""	"Small molecule"	"0"	"773.02"	"3"	"3"	"1.95"	"188.87"	"14"	"6"	"3"	"7"	"N"	"0.16"	"11.28"	"9.76"	"2.84"	"-0.86"	"0"	"MOL"	"-1"	"54"	"14"	"6"	"3"	"772.5085"	"BASE"	"C40H72N2O12"	"CC#C[C@@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC"
"CHEMBL2304316"	""	""	"Unknown"	"0"	"1727.32"	"5"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1725.7469"	"None"	"C84H112ClN11O26"	"CCCCCCCCCCNCc1c(O)cc2c(c1O)-c1cc(ccc1O)[C@H]1NC(=O)[C@@H]3NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)[C@H](O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)Oc3ccc(cc3)[C@@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)[C@H](NC1=O)C(=O)N[C@@H]2C(=O)O"
"CHEMBL263857"	""	""	"Small molecule"	"0"	"1375.24"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1373.3875"	"None"	"C70H65Cl2N9O17"	"CNC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c1cc(O)c(CNC1C3CC4CC(C3)CC1C4)c2O"
"CHEMBL97972"	"PYRROLNITRIN"	"52230|NSC-107654|PYRROLNITRIN"	"Small molecule"	"0"	"257.08"	"12"	"16"	"3.90"	"58.93"	"2"	"1"	"0"	"2"	"N"	"0.65"	"None"	"None"	"3.85"	"3.85"	"2"	"MOL"	"0"	"16"	"4"	"1"	"0"	"255.9806"	"NEUTRAL"	"C10H6Cl2N2O2"	"O=[N+]([O-])c1c(Cl)cccc1-c1c[nH]cc1Cl"
"CHEMBL298283"	"RELOMYCIN"	"AM-684-BETA|RELOMYCIN"	"Small molecule"	"0"	"918.13"	"23"	"28"	"1.63"	"241.83"	"18"	"6"	"3"	"13"	"N"	"0.14"	"12.45"	"7.90"	"2.36"	"1.74"	"0"	"MOL"	"0"	"64"	"18"	"6"	"3"	"917.5348"	"NEUTRAL"	"C46H79NO17"	"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CCO)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC"
"CHEMBL1136"	"TELITHROMYCIN"	"HMR 3647|HMR-3647|Ketek|LEVVIAX|NSC-758940|TELITHROMYCIN"	"Small molecule"	"4"	"812.02"	"73"	"1480"	"4.93"	"171.85"	"14"	"1"	"2"	"11"	"N"	"0.18"	"8.93"	"7.66"	"5.15"	"4.89"	"2"	"MOL"	"0"	"58"	"15"	"1"	"2"	"811.4731"	"NEUTRAL"	"C43H65N5O10"	"CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C"
"CHEMBL521078"	"PORFIROMYCIN"	"N-METHYLMITOMYCIN C|NSC-56410|PORFIROMYCIN|U-14,743|U-14743"	"Small molecule"	"3"	"348.36"	"103"	"141"	"-1.31"	"127.96"	"8"	"2"	"0"	"3"	"N"	"0.48"	"None"	"2.95"	"-0.66"	"-0.66"	"0"	"MOL"	"0"	"25"	"9"	"4"	"0"	"348.1434"	"NEUTRAL"	"C16H20N4O5"	"CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@H]1[C@@H]2N1C"
"CHEMBL606258"	"OLEANDOMYCIN"	"E704|OLEANDOMYCIN"	"Small molecule"	"0"	"687.87"	"10"	"65"	"1.91"	"165.98"	"13"	"3"	"2"	"6"	"N"	"0.27"	"12.67"	"8.38"	"2.98"	"1.95"	"0"	"MOL"	"0"	"48"	"13"	"3"	"2"	"687.4194"	"NEUTRAL"	"C35H61NO12"	"CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@H]2C)O[C@@H](C)[C@@H]1O"
"CHEMBL4297519"	"NAFITHROMYCIN"	"NAFITHROMYCIN"	"Small molecule"	"2"	"859.06"	""	""	"4.12"	"224.18"	"17"	"2"	"2"	"10"	"N"	"0.11"	"8.93"	"7.66"	"4.56"	"4.30"	"2"	"MOL"	"0"	"60"	"17"	"3"	"2"	"858.4197"	"NEUTRAL"	"C42H62N6O11S"	"CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2[C@H](/C(N)=N/O[C@@H](C)c3nnc(-c4ccccn4)s3)C(=O)O[C@@]21C"
"CHEMBL1650559"	"PLAZOMICIN"	"ACHN-490|PLAZOMICIN"	"Small molecule"	"4"	"592.69"	"26"	"300"	"-5.36"	"269.29"	"15"	"11"	"3"	"13"	"N"	"0.09"	"12.39"	"9.76"	"-6.10"	"-14.22"	"0"	"MOL"	"0"	"41"	"16"	"14"	"3"	"592.3432"	"BASE"	"C25H48N6O10"	"CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CNCCO)=CC[C@H]3N)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CCN)OC[C@]1(C)O"
"CHEMBL1256722"	"RAZUPENEM"	"PZ-601|RAZUPENEM|SM-216601|SMP-601"	"Small molecule"	"2"	"407.52"	"5"	"178"	"1.76"	"102.76"	"7"	"3"	"0"	"5"	"N"	"0.64"	"2.88"	"9.81"	"-1.75"	"-1.75"	"1"	"MOL"	"0"	"27"	"7"	"3"	"0"	"407.0973"	"ZWITTERION"	"C18H21N3O4S2"	"C[C@H]1C=C(c2csc(SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)n2)CN1"
"CHEMBL1278118"	"SUPINOXIN"	"P-P68 INHIBITOR RX-5902|RX-5902|SUPINOXIN"	"Small molecule"	"1"	"441.46"	"16"	"38"	"3.15"	"89.05"	"7"	"1"	"0"	"5"	"N"	"0.65"	"10.61"	"1.45"	"3.25"	"3.25"	"3"	"MOL"	"0"	"32"	"9"	"1"	"0"	"441.1812"	"NEUTRAL"	"C22H24FN5O4"	"COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1"
"CHEMBL3989904"	"CETHROMYCIN"	"A-195773|ABBOTT-195773|ABT-773|CETHROMYCIN"	"Small molecule"	"3"	"765.95"	"10"	"125"	"5.11"	"162.82"	"12"	"2"	"3"	"8"	"N"	"0.27"	"8.93"	"7.66"	"6.12"	"5.86"	"2"	"MOL"	"0"	"55"	"13"	"2"	"3"	"765.4200"	"NEUTRAL"	"C42H59N3O10"	"CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OCC=Cc2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C"
"CHEMBL262777"	"VANCOMYCIN"	"VANCOMYCIN|Vancoled|Vancomycin|Vancor"	"Small molecule"	"4"	"1449.27"	"371"	"10595"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1447.4302"	"None"	"C66H75Cl2N9O24"	"CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O"
"CHEMBL1863513"	"INGENOL MEBUTATE"	"AGN 204332|INGENOL MEBUTATE|PEP-005|PEP005|PICATO"	"Small molecule"	"4"	"430.54"	"15"	"78"	"2.33"	"104.06"	"6"	"3"	"0"	"3"	"N"	"0.36"	"12.13"	"None"	"2.51"	"2.51"	"0"	"MOL"	"0"	"31"	"6"	"3"	"0"	"430.2355"	"NEUTRAL"	"C25H34O6"	"C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C"
"CHEMBL1200699"	"DOXYCYCLINE"	"DOXIROBE|DOXYCHEL|DOXYCYCLINE|DOXYCYCLINE MONOHYDRATE|DOXYLIN|GS-3065|MONODOX|ORACEA|SUPRACYCLIN|Vibramycin|XYROSA"	"Small molecule"	"4"	"462.46"	""	""	"-0.35"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.33"	"2.92"	"7.46"	"-3.29"	"-3.57"	"1"	"MOL"	"0"	"32"	"10"	"7"	"1"	"444.1533"	"ACID"	"C22H26N2O9"	"C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.O"
"CHEMBL221572"	"RIBOSTAMYCIN"	"NSC-138925|RIBOSTAMYCIN|RIBOSTAMYCIN SULFATE"	"Small molecule"	"0"	"454.48"	"15"	"71"	"-6.65"	"262.38"	"14"	"10"	"2"	"6"	"N"	"0.18"	"12.17"	"9.59"	"-6.43"	"-11.28"	"0"	"MOL"	"0"	"31"	"14"	"14"	"2"	"454.2275"	"BASE"	"C17H34N4O10"	"NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O"
"CHEMBL1513"	"IRBESARTAN"	"APROVEL|Avapro|BMS-186295|IFIRMASTA|IRBESARTAN|IRBESARTAN BMS|IRBESARTAN TEVA|IRBESARTAN ZENTIVA|KARVEA|NSC-758696|SABERVEL|SARBEVEL|SR 47436|SR-47436"	"Small molecule"	"4"	"428.54"	"153"	"704"	"4.78"	"87.13"	"5"	"1"	"0"	"7"	"N"	"0.59"	"5.85"	"4.12"	"5.39"	"4.23"	"3"	"MOL"	"0"	"32"	"7"	"1"	"0"	"428.2325"	"ACID"	"C25H28N6O"	"CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"
"CHEMBL4297862"	"BOTULINUM TOXIN TYPE A"	"AGN-151607|ANT-1401|ANT-1403|BOTULIFT|BOTULINUM A TOXIN|BOTULINUM TOXIN TYPE A|BTX-A|CUNOX|NEURONOX|RTI-150|RTI150"	"Unknown"	"4"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL1201506"	"GEMTUZUMAB OZOGAMICIN"	"CDP-771|CMA-676|CMC-676|GEMTUZUMAB OZOGAMICIN|L01XC05|Mylotarg|WAY-CMA-676"	"Antibody"	"4"	""	"2"	"19"	""	""	""	""	""	""	""	""	""	""	""	""	""	"SEQ"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2218913"	"CAPREOMYCIN SULFATE"	"34977|CAPASTAT SULPHATE|CAPREOMYCIN DISULFATE|CAPREOMYCIN SULFATE|CAPREOMYCIN SULPHATE|CAPREOMYCIN, SULFATE (SALT)|CAPREOMYCINI SULFAS|Capastat Sulfate|NSC-755904|OGOSTAL"	"Protein"	"4"	"1517.59"	"5"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1320.6984"	"None"	"C50H92N28O23S2"	"C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@H](C2CCNC(=N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC1=O.N=C1NCCC([C@@H]2NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC2=O)N1.O=S(=O)(O)O.O=S(=O)(O)O"
"CHEMBL272080"	"ISEPAMICIN"	"HAPA-B|ISEPAMICIN|ISEPAMICIN SULFATE|SCH 21420|SCH-21420"	"Small molecule"	"0"	"569.61"	"20"	"100"	"-7.52"	"297.72"	"16"	"12"	"3"	"9"	"N"	"0.12"	"11.95"	"13.97"	"-7.30"	"-13.18"	"0"	"MOL"	"0"	"39"	"17"	"15"	"3"	"569.2908"	"BASE"	"C22H43N5O12"	"CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CN)OC[C@]1(C)O"
"CHEMBL439"	"SULFADIAZINE"	"Adiazine|Coco-diazine|Diazyl|NSC-35600|SSD|SULFACOMBIN|SULFADIAZINE|SULFADIAZINE (TRISULFAPYRIMIDINES)|SULPHADIAZINE|Sildaflo|Silvadene|Sulfadiazine|Sulfapyrimidine|Sulfolex|Sulphadiazine|Thermazene"	"Small molecule"	"4"	"250.28"	"167"	"841"	"0.86"	"97.97"	"5"	"2"	"0"	"3"	"N"	"0.79"	"6.99"	"2.01"	"0.39"	"-0.05"	"2"	"MOL"	"0"	"17"	"6"	"3"	"0"	"250.0524"	"NEUTRAL"	"C10H10N4O2S"	"Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1"
"CHEMBL1951095"	"ERAVACYCLINE"	"ERAVACYCLINE|TP-434"	"Small molecule"	"4"	"558.56"	"15"	"58"	"0.29"	"193.73"	"10"	"6"	"2"	"5"	"N"	"0.22"	"2.62"	"8.53"	"-3.27"	"-3.51"	"1"	"MOL"	"0"	"40"	"12"	"7"	"3"	"558.2126"	"ZWITTERION"	"C27H31FN4O8"	"CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4C[C@H]3C[C@@H]12"
"CHEMBL3989829"	"NETILMICIN SULFATE"	"NETILLIN|NETILMICIN SULFATE|NETILMICIN SULPHATE|Netromycin|SCH 20569|SCH-20569"	"Small molecule"	"4"	"1441.57"	"1"	"1"	"-3.20"	"199.73"	"12"	"8"	"2"	"8"	"N"	"0.18"	"12.55"	"9.80"	"-3.53"	"-10.64"	"0"	"MOL"	"0"	"33"	"12"	"11"	"2"	"475.3006"	"BASE"	"C42H92N10O34S5"	"CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O.CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O"
"CHEMBL1908343"	"KALAFUNGIN"	"KALAFUNGIN|NSC-137443|U-19,718|U-19718"	"Small molecule"	"0"	"302.24"	"4"	"4"	"1.35"	"99.13"	"7"	"1"	"0"	"0"	"N"	"0.72"	"8.21"	"None"	"2.23"	"2.17"	"1"	"MOL"	"0"	"22"	"7"	"1"	"0"	"302.0427"	"NEUTRAL"	"C15H10O7"	"CC1OC2OC(=O)OC2C2=C1C(=O)c1c(O)cccc1C2=O"
"CHEMBL2103926"	"LADIRUBICIN"	"LADIRUBICIN"	"Small molecule"	"0"	"601.63"	""	""	"1.36"	"176.74"	"12"	"3"	"2"	"6"	"N"	"0.21"	"8.05"	"3.83"	"3.06"	"2.97"	"2"	"MOL"	"0"	"42"	"12"	"3"	"2"	"601.1618"	"NEUTRAL"	"C29H31NO11S"	"CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N4CC4)[C@H](OS(C)(=O)=O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O"
"CHEMBL3989741"	"ROSARAMICIN PROPIONATE"	"ROSAMICIN 2'-PROPANOATE|ROSAMICIN PROPIONATE|ROSARAMICIN PROPIONATE|SCH 17894|SCH-17894"	"Small molecule"	"0"	"637.81"	""	""	"3.63"	"141.20"	"11"	"1"	"2"	"8"	"N"	"0.24"	"None"	"7.17"	"3.82"	"3.62"	"0"	"MOL"	"0"	"45"	"11"	"1"	"2"	"637.3826"	"NEUTRAL"	"C34H55NO10"	"CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O)CC(=O)O[C@H](CC)[C@@H](C)[C@@H]3O[C@@]3(C)/C=C/C(=O)[C@H](C)C[C@@H]2CC=O)O[C@H](C)C[C@@H]1N(C)C"
"CHEMBL3138624"	"REPROMICIN"	"REPROMICIN|SCH 16524|SCH-16524"	"Small molecule"	"0"	"565.75"	"1"	"1"	"3.46"	"122.60"	"9"	"2"	"1"	"6"	"N"	"0.37"	"12.82"	"7.68"	"3.38"	"2.92"	"0"	"MOL"	"0"	"40"	"9"	"2"	"1"	"565.3615"	"NEUTRAL"	"C31H51NO8"	"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C"
"CHEMBL2303630"	"SPARSOMYCIN"	"NSC-59729|SPARSOMYCIN|Sparsomycin|U-19183"	"Small molecule"	"0"	"361.45"	"12"	"28"	"-0.24"	"132.64"	"8"	"4"	"0"	"8"	"N"	"0.47"	"12.10"	"0.28"	"-0.78"	"-0.78"	"1"	"MOL"	"0"	"23"	"8"	"4"	"0"	"361.0766"	"NEUTRAL"	"C13H19N3O5S2"	"CSC[S@@+]([O-])CC(CO)NC(=O)/C=C/c1c(C)nc(O)nc1O"
"CHEMBL2105680"	"RIFAMYCIN SODIUM"	"AEMCOLO|CB-01-11|CB-0111|RIFAMASTENE|RIFAMYCIN|RIFAMYCIN SODIUM|RIFAMYCIN SV|RIFAMYCIN SV SODIUM SALT"	"Small molecule"	"4"	"719.76"	"2"	"2"	"4.75"	"201.31"	"12"	"6"	"3"	"2"	"N"	"0.14"	"7.09"	"None"	"4.17"	"3.68"	"2"	"MOL"	"0"	"50"	"13"	"6"	"3"	"697.3098"	"NEUTRAL"	"C37H46NNaO12"	"CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c([O-])c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.[Na+]"
"CHEMBL264310"	""	""	"Small molecule"	"0"	"1370.09"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1368.2518"	"None"	"C68H50Cl2N8O20"	"O=CC(=O)c1[nH]c2ccccc2c1NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)O)NC3=O"
"CHEMBL414553"	""	""	"Small molecule"	"0"	"1798.71"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1796.5557"	"None"	"C94H90Cl2N10O23"	"CCCCc1ccc(CNC2C(Oc3c4cc5cc3Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C5NC(=O)C5NC(=O)C(Cc6ccc(cc6)O4)NC(=O)C(NC)c4ccc(O)c(c4)Oc4cc(O)c(Cl)c5c4)c4ccc(O)c(c4)-c4c(cc(O)c(CN5CCN(Cc6ccc(-c7ccccc7)cc6)CC5)c4O)[C@H](C(=O)O)NC3=O)OC(C(=O)O)C(O)C2O)cc1"
"CHEMBL3215340"	""	""	"Small molecule"	"0"	"1550.24"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1548.3364"	"None"	"C71H66Cl2N8O28"	"CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]3N)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc(O)cc1[C@H](C(=O)O)NC3=O"
"CHEMBL437840"	""	""	"Small molecule"	"0"	"1332.17"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1330.3453"	"None"	"C68H60Cl2N8O17"	"NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)NC1C2CC4CC(C2)CC1C4)NC3=O"
"CHEMBL268348"	""	""	"Small molecule"	"0"	"1210.46"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1209.2206"	"None"	"C52H51N13O10S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCCCC(=O)O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL384471"	""	""	"Small molecule"	"0"	"1090.09"	"9"	"37"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1089.4316"	"None"	"C49H60FN13O15"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(-c4cccc(F)c4)oc3c2)NC1=O"
"CHEMBL384256"	""	""	"Small molecule"	"0"	"1253.53"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1252.2628"	"None"	"C54H56N14O10S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCC[N+]4([O-])CCOCC4)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL387472"	""	""	"Small molecule"	"0"	"1226.46"	"9"	"11"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1225.2155"	"None"	"C52H51N13O11S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCC(O)CC(=O)O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL3989770"	"TALISOMYCIN"	"BU-2231A|NSC-279496|TALISOMYCIN|TALISOMYCIN A|TALLYSOMYCIN A"	"Unknown"	"0"	"1731.89"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1730.7352"	"None"	"C68H110N22O27S2"	"Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)CC(=O)N[C@H](C(=O)NC(O[C@@H]1O[C@@H](C)[C@@H](N)[C@@H](O)[C@H]1O)C(O)c1nc(-c2nc(C(=O)NCCCC(N)CC(=O)NCCCNCCCCN)cs2)cs1)[C@@H](C)O)[C@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1"
"CHEMBL409706"	""	""	"Small molecule"	"0"	"1198.94"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1197.2198"	"None"	"C58H45Cl2N7O18"	"NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)O)NC3=O"
"CHEMBL4162951"	""	""	"Small molecule"	"0"	"429.60"	"3"	"3"	"4.53"	"70.14"	"4"	"1"	"0"	"4"	"N"	"0.23"	"4.90"	"None"	"4.30"	"1.84"	"0"	"MOL"	"-1"	"31"	"5"	"1"	"0"	"429.2879"	"ACID"	"C26H39NO4"	"CCC(C)[C@@H]1C(=O)/C(=C(/O)[C@H]2[C@@H]([C@]3(C)O[C@H]3C)C=C[C@H]3C[C@@H](C)C[C@@H](C)[C@H]32)C(=O)N1C"
"CHEMBL262912"	""	""	"Small molecule"	"0"	"1198.45"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1197.2206"	"None"	"C51H51N13O10S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCC(O)CO)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL2367780"	""	""	"Unknown"	"0"	"2067.94"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"2066.6616"	"None"	"C95H110N8O44"	"COC(=O)[C@H]1NC(=O)C2NC(=O)C(NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@H](NC(=O)[C@H](N)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)[C@H](O)c4ccc(cc4)Oc4cc3cc(c4OC3OC(CO[C@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)Oc3ccc(cc3)[C@H]2O[C@@H]2C[C@@H](N)[C@@H](O)[C@@H](C)O2)c2ccc(O)c(c2)-c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)cc(O)cc21"
"CHEMBL3989547"	"ABAFUNGIN"	"ABAFUNGIN|BAY W 6341 |BAY-W-6341|BAY-W-6341-"	"Small molecule"	"0"	"378.50"	"13"	"16"	"4.79"	"58.54"	"4"	"2"	"0"	"4"	"N"	"0.69"	"None"	"6.54"	"4.79"	"4.74"	"3"	"MOL"	"0"	"27"	"5"	"2"	"0"	"378.1514"	"NEUTRAL"	"C21H22N4OS"	"Cc1ccc(Oc2ccccc2-c2csc(N=C3NCCCN3)n2)c(C)c1"
"CHEMBL264829"	""	""	"Small molecule"	"0"	"1052.83"	"5"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1051.2082"	"None"	"C51H43Cl2N5O16"	"COC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C(N)c3cc(Oc4ccc(CC(NC(=O)OCc5ccccc5)C(=O)O)cc4Cl)c(O)c(c3)Oc3ccc(cc3Cl)C2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21"
"CHEMBL439300"	""	""	"Small molecule"	"0"	"1567.61"	"5"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1565.6310"	"None"	"C80H95Cl2N12O17+"	"CCCCCCCCCC[N+](C)(C)CCCN(N)Cc1c(O)cc2c(c1O)-c1cc(ccc1O)C1NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C(O)C(NC1=O)C(=O)N[C@H]2C(=O)NCCCCCCN)NC(=O)C(N)c1ccc(O)c(c1)Oc1cc(O)cc4c1"
"CHEMBL439257"	""	""	"Small molecule"	"0"	"1290.55"	"10"	"12"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1289.2581"	"None"	"C56H55N15O10S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C4=N[C@H](C(=O)N5CCC[C@H]5C(N)=O)CO4)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL406690"	""	""	"Small molecule"	"0"	"1216.95"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1215.2304"	"None"	"C58H47Cl2N7O19"	"NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C(C(=O)O)NC(=O)C(c3ccc(O)c(-c5c(O)cc(O)cc5[C@@H](N)C(=O)O)c3)NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O"
"CHEMBL3989604"	"RAMOPLANIN A'1"	"ANTIBIOTIC A 16686A'1|RAMOPLANIN A'1"	"Protein"	"0"	"2377.93"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"2375.9666"	"None"	"C112H142ClN21O35"	"CCC/C=C/C=C/C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@H](CCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCCN)C(=O)N[C@@H](c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](c2ccc(O)c(Cl)c2)C(=O)O[C@@H]1C(N)=O"
"CHEMBL415231"	""	""	"Small molecule"	"0"	"1702.67"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1700.6034"	"None"	"C86H94Cl2N12O21"	"CCCCc1ccc(CNC2C(Oc3c4cc5cc3Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C5NC(=O)C5NC(=O)C(Cc6ccc(cc6)O4)NC(=O)C(NC)c4ccc(O)c(c4)Oc4cc(O)c(Cl)c5c4)c4ccc(O)c(c4)-c4c(O)cc(O)cc4[C@H](C(=O)NCCCN(C)C)NC3=O)OC(C(=O)NCCCN(C)C)C(O)C2O)cc1"
"CHEMBL3084809"	""	""	"Unknown"	"0"	"1446.37"	"6"	"10"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1444.4610"	"None"	"C74H74Cl2N10O17"	"CN(C)CCCNC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c1cc(O)c(CNC1C3CC4CC(C3)CC1C4)c2O"
"CHEMBL415673"	""	""	"Small molecule"	"0"	"1211.98"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1210.2514"	"None"	"C59H48Cl2N8O17"	"CNC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21"
"CHEMBL267982"	""	""	"Small molecule"	"0"	"1174.10"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1173.3240"	"None"	"C60H51N7O19"	"COC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(N)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)C(O)c4ccc(cc4)Oc4cc3cc(c4O)Oc3ccc(cc3)C2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21"
"CHEMBL4594323"	"HEPCIDIN"	"HEPCIDIN|HEPCIDIN-25|HEPCIDIN-25 (HUMAN)"	"Protein"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"SEQ"	"0"	""	""	""	""	""	""	""	""
"CHEMBL1908310"	"ERYTHROMYCIN ACISTRATE"	"ERYTHROMYCIN ACISTRATE|Erasis"	"Small molecule"	"0"	"1060.46"	"1"	"18"	"2.36"	"199.98"	"15"	"4"	"2"	"8"	"N"	"0.26"	"12.68"	"7.87"	"3.04"	"2.44"	"0"	"MOL"	"0"	"54"	"15"	"4"	"2"	"775.4718"	"NEUTRAL"	"C57H105NO16"	"CCCCCCCCCCCCCCCCCC(=O)O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(C)=O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL405807"	""	""	"Small molecule"	"0"	"1128.21"	"3"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1127.5036"	"None"	"C53H69N13O15"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(-c4cccc(C(C)(C)C)c4)oc3c2)NC1=O"
"CHEMBL504459"	"NOGALAMYCIN"	"NOGALAMYCIN|NSC-70845|U 15167|U-15167"	"Small molecule"	"0"	"787.81"	"5"	"11"	"1.14"	"229.44"	"17"	"5"	"2"	"7"	"N"	"0.21"	"7.56"	"6.71"	"2.22"	"2.20"	"2"	"MOL"	"0"	"56"	"17"	"5"	"2"	"787.3051"	"NEUTRAL"	"C39H49NO16"	"COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC)[C@@](C)(OC)[C@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O"
"CHEMBL415556"	""	""	"Small molecule"	"0"	"1226.46"	"9"	"11"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1225.2155"	"None"	"C52H51N13O11S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(COC(=O)N[C@H](C)C(=O)O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL3989802"	"COLIMECYCLINE"	"COLIMECYCLINE"	"Protein"	"0"	"2586.83"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"2585.2101"	"None"	"C122H172N22O40"	"CCC(C)CCCCC(=O)N[C@@H](CCNCNC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O)C(=O)N[C@H](C(=O)N[C@@H](CCNCNC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O)C(=O)NCC[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCNCNC(=O)C2=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]4C(=C(O)[C@]3(O)C2=O)C(=O)c2c(O)cccc2[C@@]4(C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O"
"CHEMBL3989817"	"DIPROLEANDOMYCIN"	"DIPROLEANDOMYCIN|OLEANDOMYCIN 4',11-DIPROPIONATE"	"Small molecule"	"0"	"800.00"	""	""	"3.83"	"178.12"	"15"	"1"	"2"	"10"	"N"	"0.19"	"12.83"	"8.38"	"5.26"	"4.24"	"0"	"MOL"	"0"	"56"	"15"	"1"	"2"	"799.4718"	"NEUTRAL"	"C41H69NO14"	"CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](OC(=O)CC)[C@@H](C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@H]2C)C[C@@H]1OC"
"CHEMBL3989596"	"LEURUBICIN"	"LEURUBICIN"	"Small molecule"	"0"	"656.69"	"2"	"2"	"0.53"	"235.17"	"13"	"7"	"3"	"9"	"N"	"0.16"	"7.88"	"8.56"	"1.50"	"1.20"	"2"	"MOL"	"0"	"47"	"14"	"8"	"3"	"656.2581"	"BASE"	"C33H40N2O12"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@@H](N)CC(C)C)[C@H](O)[C@H](C)O1"
"CHEMBL2105777"	"ZORBAMYCIN"	"LARAMYCIN|U-30,604|U-30604|ZORBAMYCIN"	"Small molecule"	"0"	"1374.52"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1373.5704"	"None"	"C54H87N17O21S2"	"Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](CCO)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCC1=N[C@@H](c2nc(C(=O)NCCCC(=N)N)cs2)CS1)C(C)(C)O)C(C)O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](OC(N)=O)[C@@H]1O"
"CHEMBL301375"	""	""	"Small molecule"	"0"	"763.02"	"3"	"3"	"2.34"	"188.87"	"14"	"6"	"3"	"8"	"N"	"0.20"	"12.35"	"9.77"	"2.86"	"-1.04"	"0"	"MOL"	"-1"	"53"	"14"	"6"	"3"	"762.5242"	"BASE"	"C39H74N2O12"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(CC)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL223520"	"KANAMYCIN A"	"KANAMYCIN A"	"Small molecule"	"1"	"484.50"	"22"	"114"	"-7.29"	"282.61"	"15"	"11"	"2"	"6"	"N"	"0.17"	"12.05"	"9.34"	"-7.06"	"-12.20"	"0"	"MOL"	"0"	"33"	"15"	"15"	"2"	"484.2381"	"BASE"	"C18H36N4O11"	"NC[C@@H]1O[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O"
"CHEMBL411975"	""	""	"Small molecule"	"0"	"1697.30"	"10"	"13"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1695.7363"	"None"	"C83H110ClN11O25"	"CCCCCCCCCCNC(=O)[C@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)[C@H](O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)Oc3ccc(cc3)[C@H]2O[C@H]2C[C@](C)(N)[C@@H](O)[C@H](C)O2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21"
"CHEMBL4206129"	"ANCREMONAM"	"ANCREMONAM|BOS-228|LYS-228"	"Small molecule"	"0"	"518.49"	"11"	"76"	"-1.99"	"231.12"	"12"	"4"	"2"	"9"	"N"	"0.12"	"-1.48"	"3.87"	"-4.05"	"-7.12"	"1"	"MOL"	"0"	"34"	"16"	"5"	"2"	"518.0526"	"ACID"	"C16H18N6O10S2"	"Nc1nc(/C(=N/OC2(C(=O)O)CC2)C(=O)N[C@@H]2C(=O)N(S(=O)(=O)O)[C@@H]2CN2CCOC2=O)cs1"
"CHEMBL440444"	""	""	"Small molecule"	"0"	"1116.11"	"3"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1115.4308"	"None"	"C50H61N13O17"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(-c4ccc(C(=O)O)cc4)oc3c2)NC1=O"
"CHEMBL267368"	""	""	"Small molecule"	"0"	"1299.05"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1297.2722"	"None"	"C63H53Cl2N7O20"	"CC(C)(C)OC(=O)NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)O)NC3=O"
"CHEMBL148"	"IMIPENEM"	"IMIPENEM|Imipenem|MK-0787"	"Small molecule"	"4"	"299.35"	"278"	"6575"	"-0.18"	"113.72"	"5"	"4"	"0"	"7"	"N"	"0.22"	"3.44"	"11.80"	"-3.80"	"-3.80"	"0"	"MOL"	"0"	"20"	"7"	"4"	"0"	"299.0940"	"ZWITTERION"	"C12H17N3O4S"	"C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12"
"CHEMBL2370215"	""	""	"Unknown"	"0"	"1109.50"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1108.3217"	"None"	"C53H53ClN8O17"	"CN[C@@H](CC(C)C)C(=O)NC1C(=O)N[C@@H](CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)N[C@@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(cc3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O"
"CHEMBL384264"	""	""	"Small molecule"	"0"	"1386.91"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1385.5160"	"None"	"C72H76ClN11O16"	"CNC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)NC)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3)C2O)c2ccc(O)c(c2)-c2c1cc(O)c(CN1CCN(Cc3ccc(-c4ccccc4)cc3)CC1)c2O"
"CHEMBL3989956"	"ZOPTARELIN DOXORUBICIN ACETATE"	"AEZS-108|AN-52|D-81858|ZEN-008|ZOPTARELIN DOXORUBICIN ACETATE"	"Protein"	"0"	"1953.10"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1891.8417"	"None"	"C93H121N19O28"	"CC(=O)O.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCCC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"
"CHEMBL3989442"	"RAMOPLANIN A'2"	"ANTIBIOTIC A 16686A'2|RAMOPLANIN A'2"	"Protein"	"0"	"2391.96"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"2389.9822"	"None"	"C113H144ClN21O35"	"CC(C)C/C=C/C=C/C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@H](CCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCCN)C(=O)N[C@@H](c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](c2ccc(O)c(Cl)c2)C(=O)O[C@@H]1C(N)=O"
"CHEMBL3989572"	"COUMERMYCIN SODIUM"	"COUMERMYCIN SODIUM|RO 5-4645/010|SODIUM COUMERMYCIN A1"	"Small molecule"	"0"	"1132.07"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1109.3753"	"None"	"C55H58N5NaO20"	"CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@@H](Oc2ccc3c([O-])c(NC(=O)c4c[nH]c(C(=O)Nc5c(O)c6ccc(O[C@H]7OC(C)(C)[C@H](OC)[C@@H](OC(=O)c8ccc(C)[nH]8)[C@H]7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C.[Na+]"
"CHEMBL406245"	""	""	"Small molecule"	"0"	"1118.20"	"3"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1117.4287"	"None"	"C50H63N13O15S"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(SCc4ccccc4)oc3c2)NC1=O"
"CHEMBL411390"	""	""	"Small molecule"	"0"	"1145.58"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1144.3581"	"None"	"C57H57ClN8O16"	"NC(=O)CC1NC(=O)C(N)C(O)c2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2)C(O)C2NC(=O)C(NC(=O)C3NC1=O)c1ccc(O)c(c1)-c1c(cc(O)c(CNC3C4CC5CC(C4)CC3C5)c1O)[C@H](C(=O)O)NC2=O"
"CHEMBL265272"	""	""	"Small molecule"	"0"	"1226.46"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1225.2155"	"None"	"C52H51N13O11S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCC[C@H](O)C(=O)O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL263485"	""	""	"Small molecule"	"0"	"1473.99"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1472.5368"	"None"	"C76H81ClN10O19"	"CC(C)CC(C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)N[C@@H](C(=O)O)c4cc(O)c(CN5CCN(Cc6ccc(-c7ccccc7)cc6)CC5)c(O)c4-c4cc3ccc4O)C(O)c3ccc(cc3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O)N(C)C(=O)OC(C)(C)C"
"CHEMBL406634"	""	""	"Small molecule"	"0"	"1452.41"	"5"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1450.5080"	"None"	"C74H80Cl2N10O17"	"CCCCCCCCCCNCc1c(O)cc2c(c1O)-c1cc(ccc1O)C1NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C(O)C(NC1=O)C(=O)N[C@H]2C(=O)NCCCN(C)C)NC(=O)C(N)c1ccc(O)c(c1)Oc1cc(O)cc4c1"
"CHEMBL265142"	""	""	"Small molecule"	"0"	"1212.96"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1211.2355"	"None"	"C59H47Cl2N7O18"	"COC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21"
"CHEMBL412204"	""	""	"Small molecule"	"0"	"1421.18"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1419.2879"	"None"	"C73H55Cl2N7O20"	"O=C(NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)O)NC3=O)OCC1c2ccccc2-c2ccccc21"
"CHEMBL3989429"	"ETISOMICIN"	"BAY V1 4718|BAY-V1-4718|ETISOMICIN"	"Small molecule"	"0"	"461.56"	""	""	"-3.46"	"213.72"	"12"	"8"	"2"	"7"	"N"	"0.19"	"12.55"	"9.62"	"-3.96"	"-11.17"	"0"	"MOL"	"0"	"32"	"12"	"12"	"2"	"461.2849"	"BASE"	"C20H39N5O7"	"CCN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O"
"CHEMBL1095283"	"CARBENICILLIN PHENYL"	"CARFECILLIN"	"Small molecule"	"4"	"454.50"	"1"	"1"	"2.01"	"113.01"	"6"	"2"	"0"	"6"	"N"	"0.30"	"3.29"	"None"	"2.62"	"-0.81"	"2"	"MOL"	"0"	"32"	"8"	"2"	"0"	"454.1199"	"ACID"	"C23H22N2O6S"	"CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccccc3)c3ccccc3)C(=O)N2[C@H]1C(=O)O"
"CHEMBL410210"	""	""	"Small molecule"	"0"	"1474.33"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1472.4083"	"None"	"C75H70Cl2N8O20"	"CCCCc1ccc(CNCc2c(O)cc3c(c2O)-c2cc(ccc2O)C2NC(=O)C4NC(=O)C5NC(=O)C(Cc6ccc(c(Cl)c6)Oc6cc4cc(c6O)Oc4ccc(cc4Cl)C(O)C(NC2=O)C(=O)N[C@H]3C(=O)O)NC(=O)C(NC(=O)OC(C)(C)C)c2ccc(O)c(c2)Oc2cc(O)cc5c2)cc1"
"CHEMBL412678"	""	""	"Small molecule"	"0"	"1146.21"	"3"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1145.4236"	"None"	"C51H63N13O16S"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(SCC(=O)c4ccccc4)oc3c2)NC1=O"
"CHEMBL429343"	""	""	"Small molecule"	"0"	"1390.21"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1388.3508"	"None"	"C70H62Cl2N8O19"	"CNC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(NC(=O)OC23CC5CC(CC(C5)C2)C3)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21"
"CHEMBL3188576"	"DIHYDROSTREPTOMYCIN SULFATE"	"DIHYDROSTREPTOMYCIN SULFATE|DIHYDROSTREPTOMYCIN SULPHATE|NSC-756739"	"Small molecule"	"4"	"1461.43"	"3"	"3"	"-7.95"	"334.59"	"15"	"15"	"3"	"9"	"N"	"0.09"	"11.91"	"11.20"	"-7.35"	"-12.52"	"0"	"MOL"	"0"	"40"	"19"	"17"	"3"	"583.2813"	"BASE"	"C42H88N14O36S3"	"CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O"
"CHEMBL413213"	""	""	"Small molecule"	"0"	"1196.44"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1195.2050"	"None"	"C51H49N13O10S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCCC(=O)O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL3989466"	"ASTROMICIN SULFATE"	"ABBOTT-44747|ASTROMICIN SULFATE|ASTROMICIN SULPHATE|FORTIMICIN|FORTIMICIN A|FORTIMICIN A SULFATE|FORTIMICIN A SULPHATE"	"Small molecule"	"0"	"601.65"	""	""	"-3.59"	"192.54"	"10"	"6"	"1"	"6"	"N"	"0.26"	"13.16"	"9.80"	"-3.96"	"-9.73"	"0"	"MOL"	"0"	"28"	"11"	"10"	"2"	"405.2587"	"BASE"	"C17H39N5O14S2"	"CO[C@H]1[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@H](O)[C@@H]1N(C)C(=O)CN.O=S(=O)(O)O.O=S(=O)(O)O"
"CHEMBL3989459"	"LENAPENEM"	"LENAPENEM"	"Small molecule"	"0"	"399.51"	""	""	"-0.43"	"122.13"	"7"	"5"	"0"	"8"	"N"	"0.35"	"3.38"	"10.59"	"-4.85"	"-6.95"	"0"	"MOL"	"0"	"27"	"8"	"5"	"0"	"399.1828"	"ZWITTERION"	"C18H29N3O5S"	"CNCC[C@@H](O)[C@@H]1C[C@H](SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)CN1"
"CHEMBL407366"	""	""	"Small molecule"	"0"	"1160.21"	"3"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1159.4723"	"None"	"C56H65N13O15"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(-c4ccc5c(c4)-c4ccccc4C5)oc3c2)NC1=O"
"CHEMBL441397"	""	""	"Small molecule"	"0"	"1487.37"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1485.4400"	"None"	"C76H73Cl2N9O19"	"CCCCc1ccc(CNCc2c(O)cc3c(c2O)-c2cc(ccc2O)C2NC(=O)C4NC(=O)C5NC(=O)C(Cc6ccc(c(Cl)c6)Oc6cc4cc(c6O)Oc4ccc(cc4Cl)C(O)C(NC2=O)C(=O)N[C@H]3C(=O)NC)NC(=O)C(NC(=O)OC(C)(C)C)c2ccc(O)c(c2)Oc2cc(O)cc5c2)cc1"
"CHEMBL3989823"	"VIOMYCIN SULFATE"	"FLORIMYCIN SULFATE|NSC-760360|VIOMYCIN SULFATE|VIOMYCIN SULPHATE|Viocin Sulfate"	"Protein"	"4"	"783.78"	"1"	"1"	"-8.88"	"392.86"	"15"	"15"	"3"	"10"	"N"	"0.09"	"8.99"	"22.11"	"-10.98"	"-16.45"	"0"	"MOL"	"0"	"48"	"23"	"19"	"3"	"685.3256"	"BASE"	"C25H45N13O14S"	"NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2C[C@H](O)NC(N)=N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O.O=S(=O)(O)O"
"CHEMBL3085436"	"VIOMYCIN"	"CELIOMYCIN|FLORIMYCIN|TUBERACTINOMYCIN B|VINACETIN A|VIOACTANE|VIOMYCIN"	"Protein"	"4"	"685.70"	"5"	"15"	"-8.88"	"392.86"	"15"	"15"	"3"	"10"	"N"	"0.09"	"8.99"	"22.11"	"-10.98"	"-16.45"	"0"	"MOL"	"0"	"48"	"23"	"19"	"3"	"685.3256"	"BASE"	"C25H43N13O10"	"NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2C[C@H](O)NC(N)=N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O"
"CHEMBL404986"	""	""	"Small molecule"	"0"	"1589.59"	"3"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1588.5783"	"None"	"C77H84N14O24"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(NC4O[C@@H](OC(=O)c5ccccc5)[C@H](OC(=O)c5ccccc5)[C@@H](OC(=O)c5ccccc5)[C@@H]4COC(=O)c4ccccc4)oc3c2)NC1=O"
"CHEMBL474260"	"CARUBICIN"	"CARUBICIN|Carminomycin|NSC-180024"	"Small molecule"	"0"	"513.50"	"31"	"72"	"0.73"	"196.84"	"11"	"6"	"3"	"3"	"N"	"0.27"	"7.78"	"9.95"	"1.76"	"1.53"	"2"	"MOL"	"0"	"37"	"11"	"7"	"3"	"513.1635"	"BASE"	"C26H27NO10"	"CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O"
"CHEMBL3989886"	"GITALOXIN"	"16-FORMYLGITOXIN|CRISTALOXINE|GITALOXIN|GITOXIN 16-FORMATE"	"Small molecule"	"0"	"808.96"	"1"	"1"	"2.40"	"209.13"	"15"	"5"	"2"	"9"	"N"	"0.13"	"6.82"	"None"	"2.61"	"1.93"	"0"	"MOL"	"0"	"57"	"15"	"5"	"2"	"808.4245"	"NEUTRAL"	"C42H64O15"	"C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)[C@@H](OC=O)C[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O"
"CHEMBL269717"	""	""	"Small molecule"	"0"	"1254.52"	"9"	"11"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1253.2468"	"None"	"C54H55N13O11S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(COC(=O)N(C)CCCC(=O)O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL1200647"	"CANDICIDIN"	"CANDICIDIN|Vanobid"	"Small molecule"	"4"	"1109.32"	"8"	"39"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1108.5719"	"None"	"C59H84N2O18"	"CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(OC2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1"
"CHEMBL294149"	""	""	"Small molecule"	"0"	"801.03"	"3"	"3"	"2.68"	"202.01"	"15"	"6"	"3"	"8"	"N"	"0.21"	"11.27"	"9.76"	"2.55"	"-1.14"	"1"	"MOL"	"-1"	"56"	"15"	"6"	"3"	"800.5034"	"BASE"	"C41H72N2O13"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(c3ccco3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL3989928"	"REZAFUNGIN ACETATE"	"BIAFUNGIN ACETATE|CD101 acetate|REZAFUNGIN ACETATE"	"Small molecule"	"0"	"1285.46"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1225.6027"	"None"	"C65H88N8O19"	"CC(=O)[O-].CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](OCC[N+](C)(C)C)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1"
"CHEMBL407356"	""	""	"Small molecule"	"0"	"1361.17"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1359.3243"	"None"	"C69H59Cl2N7O19"	"O=C1NC2C(=O)NC3C(=O)NC4C(=O)NC(C(=O)N[C@@H](C(=O)O)c5cc(O)cc(O)c5-c5cc4ccc5O)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)CC1NC(=O)C(NC(=O)C13CC4CC(CC(C4)C1)C3)c1ccc(O)c(c1)Oc1cc(O)cc2c1"
"CHEMBL2108240"	"CIROLEMYCIN"	"CIROLEMYCIN|U-12,241"	"Unknown"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL3989774"	"RAMOPLANIN A'3"	"ANTIBIOTIC A 16686A'3|RAMOPLANIN A'3"	"Protein"	"0"	"2405.99"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"2403.9979"	"None"	"C114H146ClN21O35"	"CC(C)CC/C=C/C=C/C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@H](CCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCCN)C(=O)N[C@@H](c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](c2ccc(O)c(Cl)c2)C(=O)O[C@@H]1C(N)=O"
"CHEMBL1950577"	"EPITETRACYCLINE HYDROCHLORIDE"	"EPITETRACYCLINE HYDROCHLORIDE|QUATRIMYCIN HCL|QUATRIMYCIN HYDROCHLORIDE"	"Small molecule"	"0"	"480.90"	"2"	"2"	"-0.21"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.34"	"2.91"	"8.81"	"-3.47"	"-3.70"	"1"	"MOL"	"0"	"32"	"10"	"7"	"1"	"444.1533"	"ZWITTERION"	"C22H25ClN2O8"	"CN(C)[C@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.Cl"
"CHEMBL436557"	""	""	"Small molecule"	"0"	"817.10"	"3"	"3"	"3.15"	"188.87"	"15"	"6"	"3"	"8"	"N"	"0.21"	"11.75"	"9.76"	"3.62"	"-0.29"	"1"	"MOL"	"-1"	"56"	"14"	"6"	"3"	"816.4806"	"BASE"	"C41H72N2O12S"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(c3cccs3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL3989789"	"ROSARAMICIN BUTYRATE"	"ROSAMICIN 2'-BUTANOATE|ROSAMICIN BUTYRATE|ROSARAMICIN BUTYRATE|SCH 18667|SCH-18667"	"Small molecule"	"0"	"651.84"	""	""	"4.02"	"141.20"	"11"	"1"	"2"	"9"	"N"	"0.22"	"None"	"7.17"	"4.26"	"4.06"	"0"	"MOL"	"0"	"46"	"11"	"1"	"2"	"651.3982"	"NEUTRAL"	"C35H57NO10"	"CCCC(=O)O[C@H]1[C@H](O[C@H]2[C@@H](C)[C@H](O)CC(=O)O[C@H](CC)[C@@H](C)[C@@H]3O[C@@]3(C)/C=C/C(=O)[C@H](C)C[C@@H]2CC=O)O[C@H](C)C[C@@H]1N(C)C"
"CHEMBL263998"	""	""	"Small molecule"	"0"	"1312.10"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1310.3039"	"None"	"C64H56Cl2N8O19"	"CNC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(NC(=O)OC(C)(C)C)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21"
"CHEMBL1200502"	"AZITHROMYCIN MONOHYDRATE"	"AZITHROMYCIN MONOHYDRATE"	"Small molecule"	"2"	"767.01"	""	""	"1.90"	"180.08"	"14"	"5"	"2"	"7"	"N"	"0.24"	"12.43"	"9.57"	"2.44"	"-1.23"	"0"	"MOL"	"0"	"52"	"14"	"5"	"2"	"748.5085"	"BASE"	"C38H74N2O13"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O.O"
"CHEMBL2106222"	"ESORUBICIN HYDROCHLORIDE"	"4'-DEOXYADRIAMYCIN HYDROCHLORIDE|ESORUBICIN HCL|ESORUBICIN HYDROCHLORIDE|IMI 58|IMI-58|NSC-267469"	"Small molecule"	"0"	"563.99"	""	""	"1.03"	"185.84"	"11"	"5"	"2"	"5"	"N"	"0.30"	"8.01"	"10.13"	"1.24"	"0.69"	"2"	"MOL"	"0"	"38"	"11"	"6"	"3"	"527.1791"	"BASE"	"C27H30ClNO10"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)C[C@H](C)O1.Cl"
"CHEMBL268062"	""	""	"Small molecule"	"0"	"1178.23"	"11"	"37"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1177.4829"	"None"	"C56H67N13O16"	"Cc1ccc(Oc2ccc(-c3nc4ccc(C[C@H]5NC(=O)[C@H]([C@@H](C)c6ccccc6)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]6CN=C(N)N6[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)NC(=O)[C@H]([C@H](O)[C@@H]6CN=C(N)N6)NC5=O)cc4o3)cc2)cc1"
"CHEMBL299665"	""	""	"Small molecule"	"0"	"816.09"	"3"	"3"	"1.49"	"192.11"	"15"	"6"	"3"	"8"	"N"	"0.15"	"11.25"	"9.75"	"2.25"	"-2.04"	"0"	"MOL"	"-1"	"57"	"15"	"6"	"3"	"815.5507"	"BASE"	"C42H77N3O12"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(C#CCN(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL2105893"	"PIRAZMONAM SODIUM"	"PIRAZMONAM SODIUM|SQ 83360|SQ-83360"	"Small molecule"	"0"	"706.61"	""	""	"-2.93"	"316.19"	"15"	"7"	"3"	"10"	"N"	"0.07"	"2.82"	"3.53"	"-3.20"	"-6.80"	"2"	"MOL"	"0"	"46"	"22"	"8"	"3"	"684.1017"	"ACID"	"C22H23N10NaO12S2"	"CC(C)(O/N=C(\C(=O)NC1CN(C(=O)NS(=O)(=O)N2CCN(NC(=O)c3cc(=O)c(O)c[nH]3)C2=O)C1=O)c1csc(N)n1)C(=O)[O-].[Na+]"
"CHEMBL373496"	"GRAMICIDIN S"	"GRAMICIDIN C|GRAMICIDIN S|GRAMICIDIN S 1|GRAMICIDIN S-A|GRAMMIDIN"	"Protein"	"0"	"1141.47"	"38"	"189"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"BOTH"	"0"	"None"	"None"	"None"	"None"	"1140.7059"	"None"	"C60H92N12O10"	"CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O"
"CHEMBL261971"	""	""	"Small molecule"	"0"	"1224.49"	"9"	"11"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1223.2363"	"None"	"C53H53N13O10S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)N(C)CCCC(=O)O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL266527"	""	""	"Small molecule"	"0"	"1212.96"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1211.2355"	"None"	"C59H47Cl2N7O18"	"CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)O)NC3=O"
"CHEMBL2105819"	"MARIDOMYCIN"	"MARIDOMYCIN|MARIDOMYCIN III|TURIMYCIN EP3"	"Small molecule"	"0"	"829.98"	""	""	"1.98"	"218.58"	"17"	"3"	"2"	"12"	"N"	"0.08"	"12.70"	"7.90"	"2.33"	"1.72"	"0"	"MOL"	"0"	"58"	"17"	"3"	"2"	"829.4460"	"NEUTRAL"	"C41H67NO16"	"CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)C[C@@H]4O[C@H]4/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O"
"CHEMBL385621"	""	""	"Small molecule"	"0"	"1267.56"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1266.2785"	"None"	"C55H58N14O10S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCCC[N+]4([O-])CCOCC4)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL486174"	"PECILOCIN"	"NSC-291839|PECILOCIN|VARIOTIN"	"Small molecule"	"0"	"291.39"	"21"	"30"	"2.75"	"57.61"	"3"	"1"	"0"	"7"	"N"	"0.58"	"None"	"None"	"2.40"	"2.40"	"0"	"MOL"	"0"	"21"	"4"	"1"	"0"	"291.1834"	"NEUTRAL"	"C17H25NO3"	"CCCC[C@@H](O)/C=C(C)/C=C/C=C/C(=O)N1CCCC1=O"
"CHEMBL2107704"	"TRIAFUNGIN"	"EU-3325|TRIAFUNGIN"	"Small molecule"	"0"	"222.25"	""	""	"2.01"	"51.56"	"4"	"0"	"0"	"2"	"N"	"0.67"	"None"	"3.07"	"1.77"	"1.77"	"3"	"MOL"	"0"	"17"	"4"	"0"	"0"	"222.0905"	"NEUTRAL"	"C13H10N4"	"c1ccc(Cc2nnc3ccncc3n2)cc1"
"CHEMBL407612"	""	""	"Small molecule"	"0"	"1240.49"	"9"	"11"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1239.2312"	"None"	"C53H53N13O11S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(COC(=O)NCCCC(=O)O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL301428"	""	""	"Small molecule"	"0"	"878.16"	"3"	"3"	"3.92"	"185.01"	"15"	"5"	"2"	"8"	"N"	"0.24"	"11.79"	"9.57"	"4.34"	"0.66"	"2"	"MOL"	"-1"	"62"	"15"	"5"	"2"	"877.5664"	"BASE"	"C47H79N3O12"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(c3cc4ccccc4n3C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL70088"	"RITIPENEM"	"RITIPENEM|Ritipenem"	"Small molecule"	"0"	"288.28"	"15"	"53"	"-0.71"	"130.16"	"6"	"3"	"0"	"4"	"N"	"0.58"	"3.77"	"None"	"-1.75"	"-5.03"	"0"	"MOL"	"0"	"19"	"8"	"4"	"0"	"288.0416"	"ACID"	"C10H12N2O6S"	"C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)S[C@H]12"
"CHEMBL2103938"	"RIFAMETANE"	"RIFAMETANE|SPA-S-565"	"Small molecule"	"0"	"836.98"	""	""	"5.85"	"229.27"	"14"	"6"	"4"	"6"	"N"	"0.05"	"7.01"	"5.29"	"4.13"	"3.66"	"2"	"MOL"	"0"	"60"	"16"	"6"	"4"	"836.4208"	"NEUTRAL"	"C44H60N4O12"	"CCN(CC)/C(C)=N/N=C/c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4"
"CHEMBL1236684"	"VIRGINIAMYCIN FACTOR S"	"E711|VIRGINIAMYCIN FACTOR S"	"Protein"	"0"	"823.90"	""	""	"1.20"	"224.72"	"11"	"4"	"2"	"6"	"N"	"0.26"	"7.53"	"3.57"	"1.85"	"1.62"	"3"	"MOL"	"0"	"60"	"17"	"4"	"2"	"823.3541"	"NEUTRAL"	"C43H49N7O10"	"CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C1=O"
"CHEMBL2105460"	"SEDECAMYCIN"	"BUNDLIN|NSC-145117|RO 23-0731/000|RO-230731000|SEDECAMYCIN|T-2636|T-2636A"	"Small molecule"	"0"	"501.58"	""	""	"2.29"	"136.07"	"8"	"2"	"1"	"3"	"N"	"0.34"	"11.97"	"None"	"2.52"	"2.52"	"0"	"MOL"	"0"	"36"	"9"	"2"	"1"	"501.2363"	"NEUTRAL"	"C27H35NO8"	"CC(=O)O[C@@H]1/C=C/C(C)=C/C[C@H](O)/C=C/C(C)=C/[C@@H](NC(=O)C(C)=O)[C@]2(C)C(=O)O[C@H](C1)[C@@H](C)C2=O"
"CHEMBL1214186"	"SINEFUNGIN"	"COMPOUND 57926|LILLY 57926|LY-57926|SINEFUNGIN"	"Small molecule"	"0"	"381.39"	"19"	"60"	"-2.06"	"208.65"	"11"	"6"	"2"	"7"	"N"	"0.31"	"1.64"	"10.07"	"-5.14"	"-6.85"	"2"	"MOL"	"0"	"27"	"12"	"9"	"2"	"381.1761"	"ZWITTERION"	"C15H23N7O5"	"Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"
"CHEMBL299450"	""	""	"Small molecule"	"0"	"817.07"	"3"	"3"	"1.92"	"189.31"	"15"	"5"	"2"	"8"	"N"	"0.18"	"11.23"	"14.34"	"2.62"	"-0.88"	"0"	"MOL"	"-1"	"57"	"15"	"5"	"2"	"816.5347"	"BASE"	"C42H76N2O13"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(C#CCOC)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL405267"	""	""	"Small molecule"	"0"	"1320.16"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1318.3453"	"None"	"C67H60Cl2N8O17"	"NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)C1NCCC2CCCCC21)NC3=O"
"CHEMBL415132"	""	""	"Small molecule"	"0"	"1967.04"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1964.7660"	"None"	"C104H114Cl2N14O21"	"CCCCc1ccc(CNC2C(Oc3c4cc5cc3Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C5NC(=O)C5NC(=O)C(Cc6ccc(cc6)O4)NC(=O)C(NC)c4ccc(O)c(c4)Oc4cc(O)c(Cl)c5c4)c4ccc(O)c(c4)-c4c(cc(O)c(CN5CCN(Cc6ccc(-c7ccccc7)cc6)CC5)c4O)[C@H](C(=O)NCCCN(C)C)NC3=O)OC(C(=O)NCCCN(C)C)C(O)C2O)cc1"
"CHEMBL3989485"	"PLEUROMULIN"	"ANTIBIOTIC A 40104C|BC-757|DROSOPHILIN B|MUTILIN 14-GLYCOLATE|NSC-121145|PLEUROMULIN|PLEUROMUTILIN"	"Small molecule"	"0"	"378.51"	"12"	"22"	"2.89"	"83.83"	"5"	"2"	"0"	"3"	"N"	"0.58"	"13.11"	"None"	"2.60"	"2.60"	"0"	"MOL"	"0"	"27"	"5"	"2"	"0"	"378.2406"	"NEUTRAL"	"C22H34O5"	"C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O"
"CHEMBL437476"	""	""	"Small molecule"	"0"	"1495.44"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1493.4814"	"None"	"C79H77Cl2N9O17"	"NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(cc(O)c(CNC2C4CC5CC(C4)CC2C5)c1O)[C@H](C(=O)NC1C2CC4CC(C2)CC1C4)NC3=O"
"CHEMBL267424"	""	""	"Small molecule"	"0"	"1757.70"	"11"	"15"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1755.6191"	"None"	"C86H99Cl2N11O25"	"CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)NCc4ccc(-c5ccc(Cl)cc5)cc4)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(cc3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O"
"CHEMBL263367"	"EVERNIMICIN"	"EVERNIMICIN|EVERNINOMICIN|SCH 27899|SCH-27899|Ziracin"	"Oligosaccharide"	"0"	"1631.42"	"5"	"8"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1629.5066"	"None"	"C70H97Cl2NO38"	"COC[C@H]1O[C@@H](O[C@@H]2OC[C@@H]3O[C@@]4(OC[C@@H](OC(=O)c5c(C)cc(O)cc5O)[C@@H]5OCO[C@H]54)O[C@H]3[C@H]2O)[C@@H](OC)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@H]3O[C@]4(C[C@@H](O)[C@H](O[C@H]5C[C@@H](O[C@H]6C[C@](C)([N+](=O)[O-])[C@@H](OC)[C@H](C)O6)[C@H](OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)[C@@H](C)O5)[C@@H](C)O4)O[C@]3(C)[C@@H]2O)[C@H]1O"
"CHEMBL438554"	""	""	"Small molecule"	"0"	"1216.09"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1214.3443"	"None"	"C62H60Cl2N6O16"	"COC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C(N)c3cc(Oc4ccc(CC(NC(=O)OCc5ccccc5)C(=O)O)cc4Cl)c(O)c(c3)Oc3ccc(cc3Cl)C2O)c2ccc(O)c(c2)-c2c1cc(O)c(CNC1C3CC4CC(C3)CC1C4)c2O"
"CHEMBL39373"	"ANTHRAMYCIN"	"ANTHRAMYCIN|ANTRAMYCIN"	"Small molecule"	"0"	"315.33"	"14"	"17"	"0.58"	"115.89"	"5"	"4"	"0"	"2"	"N"	"0.47"	"9.73"	"None"	"0.55"	"0.55"	"1"	"MOL"	"0"	"23"	"7"	"5"	"0"	"315.1219"	"NEUTRAL"	"C16H17N3O4"	"Cc1ccc2c(c1O)NC(O)C1CC(/C=C/C(N)=O)=CN1C2=O"
"CHEMBL269716"	""	""	"Small molecule"	"0"	"1251.56"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1250.2835"	"None"	"C55H58N14O9S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCCCN4CCOCC4)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL2304149"	""	""	"Unknown"	"0"	"1588.56"	"11"	"15"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1586.6027"	"None"	"C76H96Cl2N10O23"	"CCCCCCCCCCNC(=O)[C@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)[C@H](O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3C[C@](C)(N)C(O)[C@H](C)O3)Oc3ccc(cc3Cl)[C@H]2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21"
"CHEMBL408284"	""	""	"Small molecule"	"0"	"1238.52"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1237.2519"	"None"	"C54H55N13O10S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCCCCCC(=O)O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL2364632"	"SARECYCLINE"	"P-005672|P005672|SARECYCLINE"	"Small molecule"	"4"	"487.51"	"1"	"2"	"0.11"	"173.86"	"10"	"5"	"0"	"5"	"N"	"0.28"	"2.94"	"8.25"	"-3.04"	"-3.22"	"1"	"MOL"	"0"	"35"	"11"	"6"	"2"	"487.1955"	"ACID"	"C24H29N3O8"	"CON(C)Cc1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O"
"CHEMBL1747"	"TOBRAMYCIN"	"47663|Aktob|BETHKIS|BRAMITOB|KITABIS PAK|NEBCIN|NEBRAMYCIN FACTOR 6|NEBRAMYCIN VI|NEBRIS|NSC-180514|Nebcin|Nebicin|Nebramycin|Obramycin|TOBI PODHALER|TOBRALEX|TOBRAMYCIN|TOBRAVISC|TYMBRINEB|Tobi|Tobradex|Tobradex ST|Tobrex|VANTOBRA"	"Small molecule"	"4"	"467.52"	"211"	"2434"	"-6.30"	"268.17"	"14"	"10"	"2"	"6"	"N"	"0.17"	"12.53"	"9.54"	"-6.48"	"-13.16"	"0"	"MOL"	"0"	"32"	"14"	"15"	"2"	"467.2591"	"BASE"	"C18H37N5O9"	"NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O"
"CHEMBL300373"	""	""	"Small molecule"	"0"	"777.05"	"3"	"3"	"2.73"	"188.87"	"14"	"6"	"3"	"9"	"N"	"0.19"	"12.35"	"9.77"	"3.31"	"-0.60"	"0"	"MOL"	"-1"	"54"	"14"	"6"	"3"	"776.5398"	"BASE"	"C40H76N2O12"	"CCC[C@@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC"
"CHEMBL2304060"	""	""	"Unknown"	"0"	"1649.94"	"1"	"2"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1647.4695"	"None"	"C79H84Cl3N9O24"	"CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(NCc3ccc(-c4ccc(Cl)cc4)cc3)C(O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O"
"CHEMBL1237070"	"MICAFUNGIN SODIUM"	"FK-463|FK463|FUNGUARD|Fungard|MICAFUNGIN|MICAFUNGIN NA|MICAFUNGIN SODIUM|MICAFUNGIN SODIUM SALT|Mycamine"	"Small molecule"	"4"	"1292.27"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1269.4384"	"None"	"C56H70N9NaO23S"	"CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)[O-])c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)no2)cc1.[Na+]"
"CHEMBL3545057"	"ACETYLDIGITOXIN"	"ACETYLDIGITOXIN|ACETYLDIGITOXINS .ALPHA.-FORM|Acylanid"	"Small molecule"	"4"	"806.99"	"1"	"4"	"3.82"	"188.90"	"14"	"4"	"2"	"8"	"N"	"0.20"	"7.18"	"0.24"	"4.04"	"3.62"	"0"	"MOL"	"0"	"57"	"14"	"4"	"2"	"806.4453"	"NEUTRAL"	"C43H66O14"	"CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O"
"CHEMBL419"	"MAFENIDE"	"4-HOMOSULFANILAMIDE|D06BA03|MAFENIDE|Mafenide|NSC-34632|Sulfamylon"	"Small molecule"	"4"	"186.24"	"54"	"268"	"-0.21"	"86.18"	"3"	"2"	"0"	"2"	"N"	"0.67"	"10.25"	"9.04"	"-0.52"	"-1.96"	"1"	"MOL"	"0"	"12"	"4"	"4"	"0"	"186.0463"	"BASE"	"C7H10N2O2S"	"NCc1ccc(S(N)(=O)=O)cc1"
"CHEMBL403664"	"BLEOMYCIN"	"BLENAMAX|BLEO-KYOWA|BLEOCIN|BLEOMYCIN|BLEOMYCIN HEXAL|BLEOMYCIN HYDROCHLORIDE|BLEOMYCINS|NSC-125066"	"Small molecule"	"4"	"1415.58"	"681"	"754"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1414.5184"	"None"	"C55H84N17O21S3+"	"Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1"
"CHEMBL412829"	""	""	"Small molecule"	"0"	"1115.17"	"9"	"37"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1114.4832"	"None"	"C51H66N14O15"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(-c4ccc(N(C)C)cc4)oc3c2)NC1=O"
"CHEMBL387070"	""	""	"Small molecule"	"0"	"1373.87"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1372.4844"	"None"	"C71H73ClN10O17"	"CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)N[C@@H](C(=O)O)c4cc(O)c(CN5CCN(Cc6ccc(-c7ccccc7)cc6)CC5)c(O)c4-c4cc3ccc4O)C(O)c3ccc(cc3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O"
"CHEMBL413211"	""	""	"Small molecule"	"0"	"1181.47"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1180.2417"	"None"	"C51H52N14O8S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCCCN)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL415668"	""	""	"Small molecule"	"0"	"1387.25"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1385.3875"	"None"	"C71H65Cl2N9O17"	"CCCCc1ccc(CNCc2c(O)cc3c(c2O)-c2cc(ccc2O)C2NC(=O)C4NC(=O)C5NC(=O)C(Cc6ccc(c(Cl)c6)Oc6cc4cc(c6O)Oc4ccc(cc4Cl)C(O)C(NC2=O)C(=O)N[C@H]3C(=O)NC)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc5c2)cc1"
"CHEMBL1617"	"RIFAXIMIN"	"L-105|NORMIX|NSC-758957|RIFAMYCIN L 105|RIFAXIDIN|RIFAXIMIN|Rifacol|TARGAXAN|XIFAXANTA|XIFAXSAN|Xifaxan"	"Small molecule"	"4"	"785.89"	"99"	"603"	"6.16"	"198.38"	"13"	"5"	"3"	"2"	"N"	"0.11"	"6.42"	"5.88"	"4.59"	"3.93"	"4"	"MOL"	"0"	"57"	"14"	"5"	"3"	"785.3524"	"ACID"	"C43H51N3O11"	"CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"
"CHEMBL262586"	""	""	"Small molecule"	"0"	"1497.39"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1495.3702"	"None"	"C76H67Cl2N9O18S"	"NC1Cc2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C3NC(=O)C(c3cc(O)cc(Oc4cc(C5NC(=S)N(c6ccccc6)C5=O)ccc4O)c3)NC1=O)c1ccc(O)c(c1)-c1c(cc(O)c(CNC3C4CC5CC(C4)CC3C5)c1O)[C@H](C(=O)O)NC2=O"
"CHEMBL254219"	"DIGITOXIN"	"CRISTAPURAT|CRYSTODIGIN|Crystodigin|DIGIMERCK|DIGITALIN, CRYSTALLINE|DIGITOPHYLLIN|DIGITOXIN|DIGITOXINUM|DIGITOXOSIDE|GLUCODIGIN|LANATOXIN|NATIVELLE DIGITALINE|NSC-7529|PURPURID|TRADIGAL"	"Small molecule"	"4"	"764.95"	"241"	"1088"	"3.25"	"182.83"	"13"	"5"	"2"	"7"	"N"	"0.19"	"7.18"	"0.24"	"3.60"	"3.18"	"0"	"MOL"	"0"	"54"	"13"	"5"	"2"	"764.4347"	"NEUTRAL"	"C41H64O13"	"C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O"
"CHEMBL481958"	"AMRUBICIN HYDROCHLORIDE"	"AMRUBICIN HYDROCHLORIDE|CALSED|SM 5887|SM-5887"	"Small molecule"	"3"	"519.93"	"3"	"9"	"0.63"	"176.61"	"10"	"5"	"0"	"3"	"N"	"0.33"	"8.10"	"7.02"	"1.74"	"1.81"	"2"	"MOL"	"0"	"35"	"10"	"6"	"1"	"483.1529"	"NEUTRAL"	"C25H26ClNO9"	"CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O.Cl"
"CHEMBL2107486"	"TEBIPENEM PIVOXIL"	"L-084|LJC 11,084|LJC 11084|LJC-11084|ME-1211|ME1211|Orapenem|TBPM-PI|TEBIPENEM PIVOXIL"	"Small molecule"	"3"	"497.64"	"17"	"29"	"1.67"	"108.74"	"10"	"1"	"0"	"6"	"N"	"0.33"	"None"	"6.27"	"1.59"	"1.56"	"0"	"MOL"	"0"	"33"	"9"	"1"	"0"	"497.1654"	"NEUTRAL"	"C22H31N3O6S2"	"C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(SC3CN(C4=NCCS4)C3)[C@H](C)[C@H]12"
"CHEMBL2146161"	"MIKAMYCIN"	"MIKAMYCIN|PRISTINAMYCIN|PYOSTACINE|PYOSTACINE 500|RP 7293|RP-7293|SKF-7988"	"Small molecule"	"4"	"1392.57"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1391.6438"	"None"	"C73H89N11O17"	"CC1=C\[C@@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(=O)NC\C=C\1.CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O"
"CHEMBL2146123"	"METHACYCLINE HYDROCHLORIDE"	"METACYCLINE HYDROCHLORIDE|METHACYCLINE HCL|METHACYCLINE HYDROCHLORIDE|NSC-356465|NSC-757835|Rondomycin"	"Small molecule"	"4"	"478.89"	"47"	"92"	"-0.44"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.33"	"2.88"	"7.41"	"-3.51"	"-3.81"	"1"	"MOL"	"0"	"32"	"10"	"7"	"1"	"442.1376"	"ACID"	"C22H23ClN2O8"	"C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.Cl"
"CHEMBL1200881"	"MINOCYCLINE HYDROCHLORIDE"	"ACNAMINO|AKNEMIN|AKNEMIN 50|AMZEEQ|ARESTIN|BLEMIX 100|BLEMIX 50|CYCLOMIN|DENTOMYCIN|Dynacin|MINOCIN 50|MINOCIN MR|MINOCYCLINE (AS HYDROCHLORIDE)|MINOCYCLINE HCL|MINOCYCLINE HYDROCHLORIDE|MINOGAL|MINOLIRA|Minocin|NSC-141993|SEBOMIN|SEBREN MR|Solodyn|XIMINO|ZILXI"	"Small molecule"	"4"	"493.94"	"14"	"37"	"0.19"	"164.63"	"9"	"5"	"0"	"3"	"N"	"0.40"	"2.90"	"7.90"	"-2.54"	"-2.61"	"1"	"MOL"	"0"	"33"	"10"	"6"	"1"	"457.1849"	"ACID"	"C23H28ClN3O7"	"CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cl"
"CHEMBL1506"	"CHLORAMPHENICOL PALMITATE"	"CHLORAMBON|CHLORAMPHENICOL PALMITATE|CHLORAMPHENICOLI PALMITAS|CLOROLIFARINA|Chloramphenicol Palmitate|Chlorolifarina|Chloromycetin Palmitate|Chloropal|DETREOPAL|NSC-756675"	"Small molecule"	"4"	"561.55"	"4"	"8"	"6.94"	"118.77"	"6"	"2"	"2"	"21"	"N"	"0.06"	"9.07"	"None"	"7.80"	"7.79"	"1"	"MOL"	"0"	"37"	"8"	"2"	"2"	"560.2420"	"NEUTRAL"	"C27H42Cl2N2O6"	"CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1"
"CHEMBL4594246"	"SULOPENEM ETZADROXIL"	"PF-03709270|PF03709270|SULOPENEM ETZADROXIL"	"Small molecule"	"3"	"477.63"	""	""	"1.80"	"110.21"	"9"	"1"	"0"	"9"	"N"	"0.30"	"None"	"None"	"1.05"	"1.05"	"0"	"MOL"	"0"	"30"	"8"	"1"	"0"	"477.0950"	"NEUTRAL"	"C19H27NO7S3"	"CCC(CC)C(=O)OCOC(=O)C1=C(S[C@H]2CC[S+]([O-])C2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12"
"CHEMBL4650385"	"CARRIMYCIN"	"4''-ISOVALERYLSPIRAMYCIN|CARRIMYCIN"	"Unknown"	"3"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL2219413"	"BRILACIDIN"	"BRILACIDIN|PMX-30063 FREE BASE|PMX30063|PMX30063 FREE BASE"	"Small molecule"	"2"	"936.92"	"4"	"33"	"3.68"	"308.50"	"12"	"12"	"3"	"20"	"N"	"0.03"	"11.91"	"12.25"	"0.69"	"-8.70"	"3"	"MOL"	"0"	"66"	"20"	"14"	"3"	"936.3942"	"BASE"	"C40H50F6N14O6"	"N=C(N)NCCCCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)cc(NC(=O)CCCCNC(=N)N)c3O[C@@H]3CCNC3)ncn2)c1O[C@@H]1CCNC1"
"CHEMBL137"	"METRONIDAZOLE"	"ACEA|ANABACT|BAY-5360|BAYER 5360|BAYER-5360|DEFLAMON|DRAZIFON|ELYZOL|FLAGYL COMPAK|FLAGYL ER|FLAGYL-400|FLAGYL-S|Flagyl|Flagyl 375|Flagyl i.v. rtu in plastic container|GINEFLAVIR|METRO I.V.|METROCREAM|METROGEL-VAGINAL|METROLOTION|METROLYL|METROMIDOL|METRONIDAZOLE|METROSA|METROTOP|Metric 21|Metrogel|NEUTRATOP|NORZOL|NSC-50364|NSC-69587|NUVESSA|Noritate|ORVAGIL|PROTOSTAT|ROSICED|ROZEX|RP 8823|RP-8823|SATRIC|VAGINYL|Vandazole|ZADSTAT|ZIDOVAL|ZYOMET"	"Small molecule"	"4"	"171.16"	"296"	"3330"	"0.09"	"81.19"	"5"	"1"	"0"	"3"	"N"	"0.52"	"None"	"3.03"	"-0.46"	"-0.46"	"1"	"MOL"	"0"	"12"	"6"	"1"	"0"	"171.0644"	"NEUTRAL"	"C6H9N3O3"	"Cc1ncc([N+](=O)[O-])n1CCO"
"CHEMBL318153"	"EDOXUDINE"	"EDOXUDINE|EDU|EUDR|NSC-758405|ORF 15817|ORF-15817|RWJ 15817|RWJ-15817"	"Small molecule"	"0"	"256.26"	"33"	"103"	"-1.26"	"104.55"	"6"	"3"	"0"	"3"	"N"	"0.63"	"9.95"	"None"	"-0.67"	"-0.68"	"1"	"MOL"	"0"	"18"	"7"	"3"	"0"	"256.1059"	"NEUTRAL"	"C11H16N2O5"	"CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O"
"CHEMBL1237072"	"DIRITHROMYCIN"	"DIRITHROMYCIN|Dynabac|LY 237216|LY-237216|NSC-758672"	"Small molecule"	"4"	"835.09"	"17"	"28"	"2.20"	"196.33"	"16"	"5"	"2"	"12"	"N"	"0.14"	"12.48"	"13.48"	"2.95"	"0.46"	"0"	"MOL"	"0"	"58"	"16"	"5"	"2"	"834.5453"	"BASE"	"C42H78N2O14"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O"
"CHEMBL267827"	""	""	"Small molecule"	"0"	"1128.21"	"3"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1127.5036"	"None"	"C53H69N13O15"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(-c4ccc(C(C)(C)C)cc4)oc3c2)NC1=O"
"CHEMBL1184904"	"RETASPIMYCIN"	"IPI-504|RETASPIMYCIN"	"Small molecule"	"3"	"587.71"	"4"	"10"	"4.16"	"172.60"	"9"	"6"	"2"	"6"	"N"	"0.16"	"9.62"	"4.55"	"3.80"	"3.79"	"1"	"MOL"	"0"	"42"	"11"	"7"	"3"	"587.3207"	"NEUTRAL"	"C31H45N3O8"	"C=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)N2"
"CHEMBL266841"	""	""	"Small molecule"	"0"	"1388.10"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1386.2835"	"None"	"C65H56Cl2N8O23"	"CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3OC3OC(C(=O)O)C(O)C(O)C3N)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)O)NC3=O"
"CHEMBL2220427"	"ERYTHROMYCIN PROPIONATE"	"ERYTHROMYCIN PROPIONATE|ERYTHROMYCIN, 2'-PROPIONATE|MONOPROPIONYLERYTHROMYCIN|PROPIOCINE"	"Small molecule"	"4"	"790.00"	"107"	"299"	"2.75"	"199.98"	"15"	"4"	"2"	"9"	"N"	"0.25"	"12.68"	"7.87"	"3.74"	"3.14"	"0"	"MOL"	"0"	"55"	"15"	"4"	"2"	"789.4875"	"NEUTRAL"	"C40H71NO14"	"CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C"
"CHEMBL606111"	"ANTIBIOTIC"	""	"Small molecule"	"0"	"1040.49"	"1"	"1"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1040.0603"	"None"	"C28H44IN4O24P3"	"CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OC[C@H]2OC(n3cc(I)c(=O)[nH]c3=O)[C@H](O)[C@@H]2O)OC(CO)C(O)C1O[C@H](C)C(=O)N[C@@H](C)P(=O)(O)CC(CCC(=O)O)C(=O)O"
"CHEMBL61361"	""	""	"Small molecule"	"0"	"763.02"	"3"	"3"	"2.29"	"180.08"	"14"	"5"	"2"	"7"	"N"	"0.24"	"12.40"	"9.57"	"2.73"	"-0.95"	"0"	"MOL"	"-1"	"53"	"14"	"5"	"2"	"762.5242"	"BASE"	"C39H74N2O12"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@](C)(O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL507974"	"TETRODOTOXIN"	"ARAREGAI TOXIN|BABYLONIA JAPONICA TOXIN 1|BJT 1|MACULOTOXIN|PFT-1 TOXIN|SPHEROIDINE|TARICHATOXIN|TECTIN|TETRODOTOXIN|tettrodotoxin"	"Small molecule"	"3"	"319.27"	"32"	"89"	"-5.52"	"190.25"	"11"	"8"	"2"	"1"	"N"	"0.23"	"10.30"	"9.62"	"-4.81"	"-6.55"	"0"	"MOL"	"0"	"22"	"11"	"9"	"2"	"319.1016"	"BASE"	"C11H17N3O8"	"NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO"
"CHEMBL1232279"	"NEMORUBICIN"	"NEMORUBICIN"	"Small molecule"	"0"	"643.64"	"4"	"6"	"0.35"	"201.75"	"14"	"5"	"2"	"7"	"N"	"0.22"	"8.02"	"5.47"	"2.38"	"2.28"	"2"	"MOL"	"0"	"46"	"14"	"5"	"2"	"643.2265"	"NEUTRAL"	"C32H37NO13"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N2CCO[C@H](OC)C2)[C@H](O)[C@H](C)O1"
"CHEMBL1908350"	"ROKITAMYCIN"	"3''-PROPIONYLLEUCOMYCIN A5|RICAMYCIN|ROKITAMYCIN|TMS 19Q|TMS-19Q"	"Small molecule"	"0"	"828.01"	"8"	"44"	"3.16"	"206.05"	"16"	"3"	"2"	"13"	"N"	"0.14"	"12.71"	"7.90"	"3.63"	"3.01"	"0"	"MOL"	"0"	"58"	"16"	"3"	"2"	"827.4667"	"NEUTRAL"	"C42H69NO15"	"CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)OC(=O)CC"
"CHEMBL389847"	"TOMOPENEM"	"CS-023|R-115685|R-1558|R-1L5685|RO-4908463|RO4908463|TOMOPENEM|Tomopenem"	"Small molecule"	"0"	"537.64"	"56"	"617"	"-1.85"	"192.39"	"8"	"6"	"2"	"8"	"N"	"0.12"	"3.63"	"11.20"	"-5.46"	"-5.97"	"0"	"MOL"	"0"	"37"	"13"	"7"	"3"	"537.2370"	"ZWITTERION"	"C23H35N7O6S"	"C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](C(=O)N4CC[C@H](NC(=O)CNC(=N)N)C4)N(C)C3)[C@H](C)[C@H]12"
"CHEMBL507048"	"COLIMYCIN"	"COLIMYCIN|COLISTIMETHATE SODIUM|COLISTIN SODIUM METHANESULFONATE|NSC-756688|W 1929|W-1929"	"Protein"	"3"	"968.26"	"1"	"2"	"-3.14"	"386.21"	"14"	"14"	"3"	"22"	"N"	"0.05"	"11.71"	"10.15"	"-4.85"	"-13.23"	"0"	"MOL"	"0"	"68"	"23"	"18"	"3"	"967.6542"	"BASE"	"C45H85N13O10"	"CCC(C)CCCCC(=O)NCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC1=O"
"CHEMBL1237124"	"MECLOCYCLINE"	"GS-2989|MECLOCYCLINE|NSC-78502"	"Small molecule"	"0"	"476.87"	"4"	"27"	"0.22"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.32"	"2.61"	"7.75"	"-2.95"	"-3.45"	"1"	"MOL"	"0"	"33"	"10"	"7"	"1"	"476.0986"	"ACID"	"C22H21ClN2O8"	"C=C1c2c(Cl)ccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12"
"CHEMBL1200610"	"LORACARBEF"	"LORACARBEF|LORACARBEF MONOHYDRATE|LY-163892 MONOHYDRATE|LY163892 MONOHYDRATE|Lorabid"	"Small molecule"	"4"	"367.79"	""	""	"0.71"	"112.73"	"4"	"3"	"0"	"4"	"N"	"0.69"	"2.93"	"7.23"	"-2.40"	"-2.76"	"1"	"MOL"	"0"	"24"	"7"	"4"	"0"	"349.0829"	"ACID"	"C16H18ClN3O5"	"N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1.O"
"CHEMBL130"	"CHLORAMPHENICOL"	"9-HYDROXY-9-PHENYLXANTHENE|9-PHENYL-9H-XANTHEN-9-OL|AMPHICOL|BROCHLOR|BROLENE ANTIBIOTIC|CHLORAMPHENICOL|CHLOROFAIR|CHLOROPTIC|CHLOROPTIC S.O.P.|Chloramex|Chloramphenicol|Chlorbiotic|Chloromycetin|ECONOCHLOR|GOLDEN EYE ANTIBIOTIC|KEMICETINE|KLORAFECT|Kernispray|MYCHEL|Mychel-S|NSC-16331|NSC-3069|OPHTHOCHLOR|OPTOMYCIN|SNO PHENICOL|TUBILUX INFECTED EYES|Tevcocin|XANTHEN-9-OL, 9-PHENYL-"	"Small molecule"	"4"	"323.13"	"428"	"5969"	"0.91"	"112.70"	"5"	"3"	"0"	"6"	"N"	"0.41"	"8.69"	"None"	"0.88"	"0.86"	"1"	"MOL"	"0"	"20"	"7"	"3"	"0"	"322.0123"	"NEUTRAL"	"C11H12Cl2N2O5"	"O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl"
"CHEMBL437141"	""	""	"Small molecule"	"0"	"1308.57"	"2"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1307.2686"	"None"	"C56H57N15O11S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(N)=O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL1688547"	"FRIULIMICIN B"	"FRIULIMICIN B|FRIULIMYCIN B"	"Protein"	"1"	"1303.48"	"1"	"38"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1302.6820"	"None"	"C59H94N14O19"	"CC(C)CCCCCCC/C=C\CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@@H]([C@H](C)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H]([C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H]1C"
"CHEMBL413713"	""	""	"Small molecule"	"0"	"1527.48"	"6"	"11"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1525.5189"	"None"	"C79H81Cl2N11O17"	"CCCCc1ccc(CN2CCN(Cc3c(O)cc4c(c3O)-c3cc(ccc3O)C3NC(=O)C5NC(=O)C6NC(=O)C(Cc7ccc(c(Cl)c7)Oc7cc5cc(c7O)Oc5ccc(cc5Cl)C(O)C(NC3=O)C(=O)N[C@H]4C(=O)NCCCN(C)C)NC(=O)C(N)c3ccc(O)c(c3)Oc3cc(O)cc6c3)CC2)cc1"
"CHEMBL1909452"	"APRAMYCIN"	"47657|APRAMYCIN|EL-857|NEBRAMYCIN FACTOR 2|NEBRAMYCIN II|NSC-758938"	"Small molecule"	"1"	"539.58"	"13"	"67"	"-6.95"	"283.64"	"16"	"11"	"3"	"6"	"N"	"0.15"	"12.23"	"9.15"	"-6.51"	"-12.41"	"0"	"MOL"	"0"	"37"	"16"	"15"	"3"	"539.2803"	"BASE"	"C21H41N5O11"	"CN[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](N)[C@H](O)[C@H]2O)OC2C[C@@H](N)[C@@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)OC2[C@@H]1O"
"CHEMBL1908313"	"RIFAMEXIL"	"MDL 62,769|MDL-62769|RIFAMEXIL|RIFAMYCIN P, 2'-(DIETHYLAMINO)-"	"Small molecule"	"0"	"809.98"	"1"	"1"	"6.50"	"197.21"	"14"	"5"	"3"	"5"	"N"	"0.14"	"6.45"	"2.75"	"6.12"	"4.97"	"3"	"MOL"	"0"	"57"	"14"	"5"	"3"	"809.3557"	"ACID"	"C42H55N3O11S"	"CCN(CC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N1)O4"
"CHEMBL217364"	""	""	"Small molecule"	"0"	"1377.17"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1375.3192"	"None"	"C69H59Cl2N7O20"	"O=C(NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)O)NC3=O)OC12CC3CC(CC(C3)C1)C2"
"CHEMBL411363"	""	""	"Small molecule"	"0"	"1338.22"	"3"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1336.3923"	"None"	"C68H66Cl2N8O17"	"CCCCCCCCCCNC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21"
"CHEMBL2105807"	"MADURAMICIN"	"CL 273,703|CL-273703|CYGRO|MADURAMICIN|MADURAMICIN AMMONIUM|MADURAMYCIN AMMONIUM|PRINICIN AMMONIUM"	"Small molecule"	"0"	"934.17"	"105"	"264"	"4.32"	"208.75"	"16"	"4"	"2"	"13"	"N"	"0.20"	"4.01"	"None"	"4.77"	"1.62"	"0"	"MOL"	"0"	"64"	"17"	"4"	"2"	"916.5396"	"ACID"	"C47H83NO17"	"CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC.N"
"CHEMBL262436"	""	""	"Small molecule"	"0"	"1367.63"	"2"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1366.2945"	"None"	"C59H62N14O13S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)N[C@@H](CCC(=O)O)C(=O)NCCCCCC(=O)O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL412417"	""	""	"Small molecule"	"0"	"1151.00"	"3"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1149.3515"	"None"	"C49H60BrN13O15"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(-c4ccc(Br)cc4)oc3c2)NC1=O"
"CHEMBL293343"	""	""	"Small molecule"	"0"	"779.02"	"3"	"3"	"1.31"	"209.10"	"15"	"7"	"3"	"9"	"N"	"0.16"	"12.32"	"9.77"	"1.36"	"-2.55"	"0"	"MOL"	"-1"	"54"	"15"	"7"	"3"	"778.5191"	"BASE"	"C39H74N2O13"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(CCO)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL339323"	"PANIPENEM"	"CS-533|PANIPENEM|RS-533"	"Small molecule"	"0"	"339.42"	"54"	"162"	"0.70"	"104.93"	"5"	"3"	"0"	"4"	"N"	"0.40"	"3.51"	"12.21"	"-3.56"	"-3.56"	"0"	"MOL"	"0"	"23"	"7"	"3"	"0"	"339.1253"	"ZWITTERION"	"C15H21N3O4S"	"CC(=N)N1CC[C@H](SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3C2)C1"
"CHEMBL384064"	""	""	"Small molecule"	"0"	"1334.13"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1332.2341"	"None"	"C65H50Cl2N8O18S"	"NC1Cc2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C3NC(=O)C(c3cc(O)cc(Oc4cc(C5NC(=S)N(c6ccccc6)C5=O)ccc4O)c3)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)O)NC2=O"
"CHEMBL437352"	""	""	"Small molecule"	"0"	"1167.44"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1166.2260"	"None"	"C50H50N14O8S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCCN)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL440635"	""	""	"Small molecule"	"0"	"1480.46"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1478.5281"	"None"	"C77H84Cl2N8O18"	"CCCCCCCCCCCCCCCCCCNCc1c(O)cc2c(c1O)-c1cc(ccc1O)C1NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C(O)C(NC1=O)C(=O)N[C@H]2C(=O)O)NC(=O)C(N)c1ccc(O)c(c1)Oc1cc(O)cc4c1"
"CHEMBL263996"	""	""	"Small molecule"	"0"	"1162.18"	"3"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1161.4727"	"None"	"C52H67N13O18"	"COc1cc(-c2nc3ccc(C[C@H]4NC(=O)[C@H]([C@@H](C)c5ccccc5)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]5CN=C(N)N5[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)NC(=O)[C@H]([C@H](O)[C@@H]5CN=C(N)N5)NC4=O)cc3o2)cc(OC)c1OC"
"CHEMBL437903"	""	""	"Small molecule"	"0"	"1050.10"	"3"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1049.4567"	"None"	"C47H63N13O15"	"CC(C)=Cc1nc2ccc(C[C@H]3NC(=O)[C@H]([C@@H](C)c4ccccc4)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]4CN=C(N)N4[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)NC(=O)[C@H]([C@H](O)[C@@H]4CN=C(N)N4)NC3=O)cc2o1"
"CHEMBL415792"	""	""	"Small molecule"	"0"	"1487.03"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1485.5684"	"None"	"C77H84ClN11O18"	"CNC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)OC(C)(C)C)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3)C2O)c2ccc(O)c(c2)-c2c1cc(O)c(CN1CCN(Cc3ccc(-c4ccccc4)cc3)CC1)c2O"
"CHEMBL2370219"	""	""	"Small molecule"	"0"	"982.31"	"4"	"5"	"0.95"	"391.75"	"16"	"14"	"3"	"3"	"N"	"0.12"	"3.27"	"7.13"	"-3.28"	"-3.98"	"5"	"MOL"	"-1"	"70"	"23"	"16"	"3"	"981.2220"	"ACID"	"C46H40ClN7O16"	"NC(=O)C[C@@H]1NC(=O)C(N)C(O)c2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2)C(O)C2NC(=O)C(NC(=O)C3NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)O)NC2=O"
"CHEMBL441386"	""	""	"Small molecule"	"0"	"1237.53"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1236.2679"	"None"	"C54H56N14O9S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCCN4CCOCC4)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL407365"	""	""	"Small molecule"	"0"	"1250.24"	"3"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1249.4887"	"None"	"C55H71N13O21"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(-c4ccccc4OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)oc3c2)NC1=O"
"CHEMBL276496"	""	""	"Small molecule"	"0"	"1062.06"	"3"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1061.4203"	"None"	"C47H59N13O16"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(-c4ccco4)oc3c2)NC1=O"
"CHEMBL406040"	""	""	"Small molecule"	"0"	"1207.46"	"2"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1206.2209"	"None"	"C52H50N14O9S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)N4CC(C(N)=O)C4)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL2370216"	""	""	"Unknown"	"0"	"1143.94"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1142.2827"	"None"	"C53H52Cl2N8O17"	"CN[C@@H](CC(C)C)C(=O)NC1C(=O)N[C@@H](CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)N[C@@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O"
"CHEMBL2304315"	""	""	"Unknown"	"0"	"1723.25"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1721.6580"	"None"	"C86H100ClN11O25"	"CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)NCc4ccc(-c5ccccc5)cc4)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(cc3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O"
"CHEMBL1660"	"RIFAPENTINE"	"ANTIBIOTIC DL-473IT|DL-473|KTC-1|MDL 473|MDL-473|PRIFITIN|Priftin|R-77-3|R-773|RIFAPENTIN|RIFAPENTINE"	"Small molecule"	"4"	"877.04"	"119"	"622"	"5.65"	"220.15"	"15"	"6"	"4"	"5"	"N"	"0.09"	"7.00"	"7.82"	"3.70"	"3.78"	"2"	"MOL"	"0"	"63"	"16"	"6"	"4"	"876.4521"	"NEUTRAL"	"C47H64N4O12"	"CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"
"CHEMBL109480"	"TANESPIMYCIN"	"17-AAG|17AAG|BMS-722782|CNF-1010|CNF1010|KOS-953|NSC-330507|TANESPIMYCIN"	"Small molecule"	"3"	"585.70"	"639"	"1070"	"2.54"	"166.28"	"9"	"4"	"1"	"6"	"N"	"0.27"	"12.78"	"None"	"2.57"	"2.57"	"0"	"MOL"	"0"	"42"	"11"	"5"	"2"	"585.3050"	"NEUTRAL"	"C31H43N3O8"	"C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O"
"CHEMBL1231529"	"BLEOMYCIN A6"	"BLEOMYCIN A6|BOANMYCIN|PINGYANGMYCIN A6|ZHENGGUANGMYCIN A6"	"Small molecule"	"2"	"1497.68"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1496.6500"	"None"	"C60H96N20O21S2"	"Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCNCCCN)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1"
"CHEMBL3220708"	"BERYTHROMYCIN"	"ABBOTT-24091|BERYTHROMYCIN|ERYTHROMYCIN B"	"Small molecule"	"0"	"717.94"	"5"	"10"	"2.67"	"173.68"	"13"	"4"	"2"	"7"	"N"	"0.28"	"12.61"	"8.38"	"3.49"	"2.46"	"0"	"MOL"	"0"	"50"	"13"	"4"	"2"	"717.4663"	"NEUTRAL"	"C37H67NO12"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C"
"CHEMBL413430"	""	""	"Small molecule"	"0"	"1237.54"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1236.2791"	"None"	"C53H56N16O8S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCCCCN=C(N)N)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL184"	"ACYCLOVIR"	"ACICLOVIR|ACICLOVIRUM|ACYCLOVIR|AVACLYR|AVERT|AVIRAL|Aciclovir|Acycloguanosine|CLEARSORE|CYMEX ULTRA|Cyclovir|DUVIMEX|GERPEVIR|HERPETAD|LIPSORE|LYPSYL|NOVIRUS|NSC-645011|NSC-758477|RANOVIR|SITAVIG|SOOTHELIP|SORAWAY|VIRALIEF|VIRASORB|VIROVIR 200|VIROVIR 400|VIROVIR 800|Zovirax"	"Small molecule"	"4"	"225.21"	"262"	"3211"	"-0.92"	"119.31"	"8"	"3"	"0"	"4"	"N"	"0.58"	"11.58"	"1.01"	"-0.56"	"-0.56"	"2"	"MOL"	"0"	"16"	"8"	"4"	"0"	"225.0862"	"NEUTRAL"	"C8H11N5O3"	"Nc1nc(O)c2ncn(COCCO)c2n1"
"CHEMBL384321"	""	""	"Small molecule"	"0"	"1212.48"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1211.2363"	"None"	"C52H53N13O10S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCCOCCO)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL1200688"	"ERYTHROMYCIN ETHYLSUCCINATE"	"ARPIMYCIN|E-MYCIN E|E-mycin|E.E.S. 200|E.E.S. 400|E.e.s.|ERYMIN|ERYTHRODEN|ERYTHROMYCIN ETHYL SUCCINATE|ERYTHROMYCIN ETHYLSUCCINATE|ERYTHROPED|ERYTHROPED A|ERYTHROPED FTE|ERYTHROPED FTE SF|ERYTHROPED PI|ERYTHROPED PI SF|ERYTHROPED SF|Eryped|NSC-756758|PEDIAMYCIN 400|PRIMACINE|Pediamycin|ROMMIX 125|STERILE ERYTHROMYCIN ETHYLSUCCINATE|WYAMYCIN E|Wyamycin"	"Small molecule"	"4"	"862.06"	"15"	"1431"	"2.68"	"226.28"	"17"	"4"	"2"	"12"	"N"	"0.16"	"12.68"	"7.87"	"3.37"	"2.77"	"0"	"MOL"	"0"	"60"	"17"	"4"	"2"	"861.5086"	"NEUTRAL"	"C43H75NO16"	"CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C"
"CHEMBL1200632"	"CLINDAMYCIN PALMITATE HYDROCHLORIDE"	"CLINDAMYCIN PALMITATE HCL|CLINDAMYCIN PALMITATE HYDROCHLORIDE|Cleocin|NSC-759141|U-25,179 E|U-25179-E|U-25179E"	"Small molecule"	"4"	"699.87"	"1"	"2"	"6.42"	"108.33"	"8"	"3"	"2"	"22"	"N"	"0.07"	"12.59"	"7.55"	"7.96"	"7.58"	"0"	"MOL"	"0"	"44"	"8"	"3"	"2"	"662.4095"	"NEUTRAL"	"C34H64Cl2N2O6S"	"CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC.Cl"
"CHEMBL249837"	"METHACYCLINE"	"GS-2876|METACYCLINE|METHACYCLINE|MOTC"	"Small molecule"	"4"	"442.42"	"9"	"38"	"-0.44"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.33"	"2.88"	"7.41"	"-3.51"	"-3.81"	"1"	"MOL"	"0"	"32"	"10"	"7"	"1"	"442.1376"	"ACID"	"C22H22N2O8"	"C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12"
"CHEMBL405483"	""	""	"Small molecule"	"0"	"1632.48"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1630.4775"	"None"	"C81H80Cl2N10O23"	"CCCCc1ccc(CN2CCN(Cc3c(O)cc4c(c3O)-c3cc(ccc3O)C3NC(=O)C5NC(=O)C6NC(=O)C(Cc7ccc(cc7)Oc7cc5cc(c7OC5OC(C(=O)O)C(O)C(O)C5N)Oc5ccc(cc5Cl)C(O)C(NC3=O)C(=O)N[C@H]4C(=O)O)NC(=O)C(NC)c3ccc(O)c(c3)Oc3cc(O)c(Cl)c6c3)CC2)cc1"
"CHEMBL502620"	"ACLARUBICIN"	"ACLACINOMYCIN A|ACLARUBICIN|ACLARUBICIN HYDROCHLORIDE|NSC-208734"	"Small molecule"	"2"	"811.88"	"123"	"309"	"3.16"	"217.05"	"16"	"4"	"2"	"9"	"N"	"0.23"	"7.47"	"8.64"	"3.98"	"3.95"	"2"	"MOL"	"0"	"58"	"16"	"4"	"2"	"811.3415"	"BASE"	"C42H53NO15"	"CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC"
"CHEMBL263428"	""	""	"Small molecule"	"0"	"1354.55"	"2"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1353.2377"	"None"	"C56H55N15O14S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(N)=O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL267410"	""	""	"Small molecule"	"0"	"1366.57"	"6"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1364.2700"	"None"	"C67H55Cl3N8O18"	"CN(Cc1ccc(Cl)cc1)Cc1c(O)cc2c(c1O)-c1cc(ccc1O)C1NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C(O)C(NC1=O)C(=O)N[C@H]2C(=O)O)NC(=O)C(N)c1ccc(O)c(c1)Oc1cc(O)cc4c1"
"CHEMBL413902"	""	""	"Small molecule"	"0"	"1148.20"	"3"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1147.4723"	"None"	"C55H65N13O15"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(-c4ccc(-c5ccccc5)cc4)oc3c2)NC1=O"
"CHEMBL436699"	""	""	"Small molecule"	"0"	"1493.51"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1491.5597"	"None"	"C78H87Cl2N9O17"	"CCCCCCCCCCCCCCCCCCNCc1c(O)cc2c(c1O)-c1cc(ccc1O)C1NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C(O)C(NC1=O)C(=O)N[C@H]2C(=O)NC)NC(=O)C(N)c1ccc(O)c(c1)Oc1cc(O)cc4c1"
"CHEMBL269036"	""	""	"Small molecule"	"0"	"1212.43"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1211.1999"	"None"	"C51H49N13O11S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCC(O)C(=O)O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL304634"	""	""	"Small molecule"	"0"	"803.04"	"3"	"3"	"1.58"	"198.10"	"15"	"6"	"3"	"8"	"N"	"0.15"	"11.23"	"9.75"	"2.18"	"-1.50"	"0"	"MOL"	"-1"	"56"	"15"	"6"	"3"	"802.5191"	"BASE"	"C41H74N2O13"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(C#CCOC)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL263844"	""	""	"Small molecule"	"0"	"1364.63"	"2"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1363.2948"	"None"	"C59H61N15O12S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)N[C@@H](CCC(=O)O)C(=O)N4CCCC[C@H]4C(N)=O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL298584"	""	""	"Small molecule"	"0"	"758.99"	"3"	"3"	"1.56"	"188.87"	"14"	"6"	"3"	"7"	"N"	"0.16"	"11.31"	"9.76"	"2.01"	"-1.70"	"0"	"MOL"	"-1"	"53"	"14"	"6"	"3"	"758.4929"	"BASE"	"C39H70N2O12"	"C#C[C@@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC"
"CHEMBL291595"	""	""	"Small molecule"	"0"	"829.09"	"3"	"3"	"2.16"	"197.90"	"16"	"5"	"2"	"8"	"N"	"0.24"	"11.30"	"14.34"	"2.41"	"-1.10"	"1"	"MOL"	"-1"	"58"	"16"	"5"	"2"	"828.5460"	"BASE"	"C42H76N4O12"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(c3nccn3C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL458336"	"MEDORUBICIN"	"MEDORUBICIN|NSC-256438"	"Small molecule"	"0"	"513.50"	"1"	"2"	"-0.01"	"196.84"	"11"	"6"	"3"	"4"	"N"	"0.26"	"8.02"	"9.94"	"0.69"	"0.24"	"2"	"MOL"	"0"	"37"	"11"	"7"	"3"	"513.1635"	"BASE"	"C26H27NO10"	"C[C@@H]1O[C@@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@H](N)[C@@H]1O"
"CHEMBL1434"	"MINOCYCLINE"	"MINOCYCLINE|Minocycline"	"Small molecule"	"4"	"457.48"	"105"	"943"	"0.19"	"164.63"	"9"	"5"	"0"	"3"	"N"	"0.40"	"2.90"	"7.90"	"-2.54"	"-2.61"	"1"	"MOL"	"0"	"33"	"10"	"6"	"1"	"457.1849"	"ACID"	"C23H27N3O7"	"CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O"
"CHEMBL1200981"	"EPIRUBICIN HYDROCHLORIDE"	"EPIRUBICIN HCL|EPIRUBICIN HYDROCHLORIDE|Ellence|FARMORUBICINA|Farmorubicin|IMI-28|NSC-759195|PHARMORUBICIN|WP-697"	"Small molecule"	"4"	"579.99"	"42"	"202"	"0.00"	"206.07"	"12"	"6"	"3"	"5"	"N"	"0.24"	"8.00"	"9.03"	"0.53"	"0.10"	"2"	"MOL"	"0"	"39"	"12"	"7"	"3"	"543.1741"	"BASE"	"C27H30ClNO11"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1.Cl"
"CHEMBL2354444"	"PIRARUBICIN"	"ADRIAMYCIN, TETRAHYDROPYRANYL|PIRARUBICIN|THEPRUBICIN|THP-ADM"	"Small molecule"	"3"	"627.64"	"5"	"36"	"1.55"	"204.30"	"13"	"5"	"2"	"7"	"N"	"0.24"	"7.99"	"9.01"	"2.05"	"1.67"	"2"	"MOL"	"0"	"45"	"13"	"6"	"3"	"627.2316"	"BASE"	"C32H37NO12"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1"
"CHEMBL35306"	"NIKKOMYCIN"	"NIKKOMYCIN|Nikkomycin Z"	"Small molecule"	"1"	"495.45"	"15"	"165"	"-3.48"	"250.32"	"12"	"8"	"2"	"8"	"N"	"0.18"	"2.80"	"8.76"	"-5.65"	"-5.79"	"2"	"MOL"	"0"	"35"	"15"	"9"	"2"	"495.1601"	"ZWITTERION"	"C20H25N5O10"	"C[C@@H]([C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)[C@H](O)c1ccc(O)cn1"
"CHEMBL1950576"	"DIHYDROSTREPTOMYCIN"	"ABIOCINE|DIHYDROSTREPTOMYCIN|Dihydrostreptomycin|STREPTOMYCIN, DIHYDRO-|VIBRIOMYCIN"	"Small molecule"	"4"	"583.60"	"3"	"20"	"-7.95"	"334.59"	"15"	"15"	"3"	"9"	"N"	"0.09"	"11.91"	"11.20"	"-7.35"	"-12.52"	"0"	"MOL"	"0"	"40"	"19"	"17"	"3"	"583.2813"	"BASE"	"C21H41N7O12"	"CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O"
"CHEMBL3039594"	"GENTAMICIN SULFATE"	"Apogen|BRISTAGEN|CIDOMYCIN|CIDOMYCIN INTRATHECAL|GARASOL|GENT-AK|GENT-OPHTAL|GENTACIDIN|GENTACIN|GENTAFAIR|GENTALLINE|GENTALYN|GENTAMICIN (AS SULFATE)|GENTAMICIN (AS SULPHATE)|GENTAMICIN (GENTAMYCIN SULFATE)|GENTAMICIN C COMPLEX SULFATE|GENTAMICIN SULFATE|GENTAMICIN SULFATE (SALT)|GENTAMICIN SULPHATE|GENTAMICIN SULPHATE (SALT)|GENTAMICINI SULFAS|GENTIBIOPTAL|GENTICIN|GENTICIN INTRATHECAL|GENTOCIN|GENTOGRAM|Garamycin|Genoptic|Gentak|LUGACIN|NSC-757042|NSC-82261|OPHTAGRAM|PANGRAM|REFOBACIN|SCH 9724|SCH-9724|SEPTOPAL|SULMYCIN|U-GENCIN"	"Small molecule"	"4"	"1488.81"	"24"	"138"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1389.9018"	"None"	"C60H125N15O25S"	"CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C(C)N)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.O=S(=O)(O)O"
"CHEMBL1384"	"KANAMYCIN"	"KANAMYCIN|KANAMYCINS|Kanamycin"	"Small molecule"	"4"	"484.50"	"244"	"2046"	"-7.29"	"282.61"	"15"	"11"	"2"	"6"	"N"	"0.17"	"12.05"	"9.34"	"-7.06"	"-12.20"	"0"	"MOL"	"0"	"33"	"15"	"15"	"2"	"484.2381"	"BASE"	"C18H36N4O11"	"NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"
"CHEMBL1255800"	"FIDAXOMICIN"	"DIFICID|DIFICLIR|FIDAXOMICIN|OPT-80|PAR-101"	"Small molecule"	"4"	"1058.05"	"23"	"177"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1056.4252"	"None"	"C52H74Cl2O18"	"CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OC/C2=C\C=C\C[C@H](O)/C(C)=C/[C@H](CC)[C@@H](O[C@@H]3OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]3O)/C(C)=C/C(C)=C/C[C@@H]([C@@H](C)O)OC2=O)O[C@@H]1C"
"CHEMBL3544954"	"ZOPTARELIN DOXORUBICIN"	"AEZS-108|AN-152|ZOPTARELIN DOXORUBICIN|Zoptarelin doxorubicin"	"Protein"	"3"	"1893.04"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1891.8417"	"None"	"C91H117N19O26"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCCC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"
"CHEMBL224436"	"JOSAMYCIN"	"EN-141|IOSALIDE|JOMYBEL|JOSAMINA|JOSAMYCIN|JOSAMYCIN PROPIONATE|KITASAMYCIN A3|LEUCOMYCIN A3|TURIMYCIN A5"	"Small molecule"	"3"	"828.01"	"24"	"115"	"3.01"	"206.05"	"16"	"3"	"2"	"12"	"N"	"0.15"	"12.71"	"7.90"	"3.22"	"2.60"	"0"	"MOL"	"0"	"58"	"16"	"3"	"2"	"827.4667"	"NEUTRAL"	"C42H69NO15"	"CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O"
"CHEMBL2104340"	"IBACITABINE"	"IBACITABINE|NSC-527083"	"Small molecule"	"0"	"353.12"	"10"	"18"	"-0.93"	"110.60"	"7"	"3"	"0"	"2"	"N"	"0.59"	"13.89"	"None"	"-0.91"	"-0.91"	"1"	"MOL"	"0"	"17"	"7"	"4"	"0"	"352.9873"	"NEUTRAL"	"C9H12IN3O4"	"Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I"
"CHEMBL285347"	"BIAPENEM"	"BIAPENEM|CL 186,815|CL-186815|L-627|LJ C10,627|LJ-C10627|LJC-10627|OMEGACIN"	"Small molecule"	"1"	"350.40"	"23"	"118"	"-1.89"	"102.37"	"7"	"1"	"0"	"4"	"N"	"0.50"	"3.31"	"None"	"-6.06"	"-5.44"	"1"	"MOL"	"0"	"24"	"8"	"1"	"0"	"350.1049"	"ACID"	"C15H18N4O4S"	"C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12"
"CHEMBL1741"	"CLARITHROMYCIN"	"6-O-METHYLERYTHROMYCIN|A-56268|ABBOTT-56268|BIAXIN XL|Biaxin|Biaxin XL Pac|CLARIE XL|CLARITHROMYCIN|CLARITHROMYCIN IDENTITY|CLAROSIP|CYLLIND|Clarithromycin extended release|ERYTHROMYCIN, 6-O-METHYL-|FEBZIN XL|KLACID|KLARICID|KLARICID 500|KLARICID ADULT|KLARICID I.V.|KLARICID PAED|KLARICID XL|MACLADIN|MAVID|MYCIFOR XL|NSC-758704|Prevpac|TE-031|VECLAM|XETININ XL|ZECLAR"	"Small molecule"	"4"	"747.96"	"223"	"3120"	"2.44"	"182.91"	"14"	"4"	"2"	"8"	"N"	"0.27"	"12.46"	"8.38"	"3.24"	"2.22"	"0"	"MOL"	"0"	"52"	"14"	"4"	"2"	"747.4769"	"NEUTRAL"	"C38H69NO13"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL454950"	"TETRACYCLINE HYDROCHLORIDE"	"ACHROMYCIN V|ACTISITE|Achromycin|Bristacycline|Cyclopar|LATYCIN|NEOCYCLINE B|NSC-757338|Panmycin|RETET|ROBITET|Sumycin|TETRACHEL|TETRACYCLINE HCL|TETRACYCLINE HYDROCHLORIDE|TETRACYCLINI HYDROCHLORIDUM|TETRAMED|TOPICYCLINE|Tetracyn|VETQUAMYCIN 324"	"Small molecule"	"4"	"480.90"	"29"	"98"	"-0.21"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.34"	"2.91"	"8.81"	"-3.47"	"-3.70"	"1"	"MOL"	"0"	"32"	"10"	"7"	"1"	"444.1533"	"ZWITTERION"	"C22H25ClN2O8"	"CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.Cl"
"CHEMBL3989769"	"NEOMYCIN SULFATE"	"BIOMYDRIN|BIOSOL|BYKOMYCIN|Biosol|CICATRENE|CICATRIN|ENDOMIXIN|FRADIOMYCIN SULFATE|FRAMYCETIN SULFATE|FRAMYCETIN SULPHATE|FRAQUINOL|Fradiomycin Sulfate|GPPE NSL GEL|GRANEODIN|MYACINE|MYCIGUENT|Mycifradin|NASEPTIN|NEO-FRADIN|NEO-RX|NEOBACRIN|NEOBIOTIC|NEOBRETTIN|NEOMIX|NEOMYCIN B SULFATE|NEOMYCIN B SULPHATE|NEOMYCIN B, SULFATE (SALT)|NEOMYCIN B, SULPHATE (SALT)|NEOMYCIN SULFATE|NEOSPORIN|NEOSULF|NIVEMYCIN|NSC-757240|SOFRAMYCIN|TRIBIOTIC|TUTTOMYCIN|VIBROCIL"	"Small molecule"	"4"	""	"7"	"15"	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL3039597"	"GENTAMICIN"	"GENTAMICIN|GENTAMYCIN|LYRAMYCIN|OKSITSELANIM|SCH-9724|SEPTIGEN|Uromycine"	"Small molecule"	"4"	"1390.73"	"277"	"6001"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1389.9018"	"None"	"C60H123N15O21"	"CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C(C)N)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O"
"CHEMBL560976"	"DIBEKACIN"	"DIBEKACIN|DIBEKACIN SULFATE"	"Small molecule"	"0"	"451.52"	"11"	"60"	"-5.27"	"247.94"	"13"	"9"	"2"	"6"	"N"	"0.18"	"12.54"	"9.80"	"-5.33"	"-12.72"	"0"	"MOL"	"0"	"31"	"13"	"14"	"2"	"451.2642"	"BASE"	"C18H37N5O8"	"NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1"
"CHEMBL1591"	"DEMECLOCYCLINE"	"DEMECLOCYCLINE|DEMETHYLCHLORTETRACYCLINE|Demeclocycline"	"Small molecule"	"4"	"464.86"	"24"	"77"	"0.26"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.33"	"2.59"	"8.54"	"-3.17"	"-3.61"	"1"	"MOL"	"0"	"32"	"10"	"7"	"1"	"464.0986"	"ZWITTERION"	"C21H21ClN2O8"	"CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12"
"CHEMBL2221250"	"CAPREOMYCIN"	"CAPASTAT|CAPOSTATIN|CAPREOMICIN|CAPREOMYCIN|CAPROMYCIN"	"Protein"	"4"	"1321.44"	"6"	"41"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1320.6984"	"None"	"C50H88N28O15"	"C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@H](C2CCNC(=N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC1=O.N=C1NCCC([C@@H]2NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC2=O)N1"
"CHEMBL3990047"	"OZENOXACIN"	"GF-001001-00|OZENOXACIN|T-3912|Xepi"	"Small molecule"	"4"	"363.42"	""	""	"3.76"	"84.22"	"5"	"2"	"0"	"4"	"N"	"0.74"	"5.96"	"6.72"	"2.47"	"1.98"	"3"	"MOL"	"0"	"27"	"6"	"2"	"0"	"363.1583"	"ACID"	"C21H21N3O3"	"CNc1ncc(-c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)cc1C"
"CHEMBL1201469"	"GRAMICIDIN"	"GRAMICIDIN|GRAMICIDIN D|GRAMICIDINS|Gramoderm|NSC-757043"	"Small molecule"	"4"	""	"105"	"264"	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL4297229"	"PRABOTULINUMTOXIN A"	"ABP 450|ABP-450|BOTULINUM TOXIN TYPE A COMPLEX|DWP-450|DWP450|Jeuveau|PRABOTULINUMTOXIN A|PRABOTULINUMTOXINA-XVFS"	"Unknown"	"4"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"SEQ"	"0"	""	""	""	""	""	""	""	""
"CHEMBL374975"	"FUSIDIC ACID"	"ANHYDROUS FUSIDIC ACID|CEM-102|FUCIDIN CAVIJECT|FUCITHALMIC|FUSIDATE|FUSIDIC ACID|NSC-56192|RAMYCIN|SQ 16,603|SQ-16603|TAKSTA"	"Small molecule"	"4"	"516.72"	"55"	"499"	"5.67"	"104.06"	"5"	"3"	"2"	"5"	"N"	"0.25"	"4.46"	"None"	"4.42"	"1.58"	"0"	"MOL"	"0"	"37"	"6"	"3"	"2"	"516.3451"	"ACID"	"C31H48O6"	"CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O"
"CHEMBL160"	"CYCLOSPORINE"	"27-400|ANTIBIOTIC S-7481F1|ATOPICA|CAPIMUNE|CAPSORIN|CEQUA|CICLOSPORIN|CICLOSPORIN A|CICLOSPORINUM|CYCLOSPORIN|CYCLOSPORIN A|CYCLOSPORINE|CYCLOSPORINE A|CYCLOSPORINE MICROEMULSION|CYCLOSPORINE, MODIFIED|DEXIMUNE|EQUORAL|Gengraf|IKERVIS|MITOGARD|NEOPLANTA|NEUROSTAT|NSC-290193|Neoral|OL-27-400|OPTIMMUNE|RAMIHYPHIN A|RESTASIS MULTIDOSE|Restasis|SANDIMMUN|SANG-35|SANGCYA|SDZ-OXL-400|Sandimmune|VANQUORAL|VERKAZIA|ZINOGRAF ME"	"Protein"	"4"	"1202.63"	"266"	"4058"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"BOTH"	"0"	"None"	"None"	"None"	"None"	"1201.8414"	"None"	"C62H111N11O12"	"C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C"
"CHEMBL719"	"MUPIROCIN"	"BACTODERM|BRL 4910A|BRL-4910A|Bactroban|Centany|MUPIROCIN|NSC-759182|PSEUDOMONIC ACID|TRANS-PSEUDOMONIC ACID|TURIXIN"	"Small molecule"	"4"	"500.63"	"51"	"330"	"2.59"	"146.05"	"8"	"4"	"1"	"16"	"N"	"0.11"	"4.83"	"None"	"2.45"	"-0.07"	"0"	"MOL"	"0"	"35"	"9"	"4"	"1"	"500.2985"	"ACID"	"C26H44O9"	"C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O"
"CHEMBL105"	"MITOMYCIN"	"AMETYCINE|JELMYTO|MITOCIN-C|MITOMYCIN|MITOMYCIN C|MITOMYCIN-C|MITOSOL|MITOZYTREX|MUAMYCIN|Mutamycin|Mytozytrex|NSC-26980|UGN-101|UGN-102"	"Small molecule"	"4"	"334.33"	"878"	"2424"	"-1.65"	"146.89"	"8"	"3"	"0"	"3"	"N"	"0.41"	"None"	"5.60"	"-1.05"	"-1.05"	"0"	"MOL"	"0"	"24"	"9"	"5"	"0"	"334.1277"	"NEUTRAL"	"C15H18N4O5"	"CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12"
"CHEMBL2105700"	"BEDAQUILINE FUMARATE"	"BEDAQUILINE FUMARATE|R-403323|R403323|SIRTURO"	"Small molecule"	"4"	"671.59"	"1"	"1"	"7.13"	"45.59"	"4"	"1"	"2"	"8"	"N"	"0.22"	"13.61"	"8.91"	"7.13"	"5.61"	"5"	"MOL"	"0"	"37"	"4"	"1"	"2"	"554.1569"	"BASE"	"C36H35BrN2O6"	"COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12.O=C(O)/C=C/C(=O)O"
"CHEMBL3989893"	"MEPARTRICIN"	"IPERTROFAN|MEPARTRICIN|METHYLPARTRICIN|NSC-760091|OROFUNGIN|SN 654|SN-654|SPA-S-160|TRICANDIL|TRICANGINE"	"Unknown"	"0"	"2268.69"	"2"	"2"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"2267.1806"	"None"	"C119H174N4O38"	"CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)OC)C(CC(O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C2C)O3)cc1.COC(=O)C1C(O)CC2(O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)CC(=O)OC(C(C)CCC(O)CC(=O)c3ccc(N)cc3)C(C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)CC1O2"
"CHEMBL1697854"	"ZORUBICIN"	"RP 22,050|RP-22050|ZORUBICIN"	"Small molecule"	"0"	"645.67"	"3"	"20"	"2.25"	"210.23"	"12"	"6"	"3"	"6"	"N"	"0.10"	"8.20"	"9.37"	"2.67"	"2.02"	"3"	"MOL"	"0"	"47"	"13"	"7"	"3"	"645.2322"	"BASE"	"C34H35N3O10"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(C)=N/NC(=O)c1ccccc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"
"CHEMBL3989738"	"POLYMYXIN B"	"POLYMIXIN B|POLYMYXIN B"	"Protein"	"4"	"2392.97"	"61"	"681"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"2391.4842"	"None"	"C111H194N32O26"	"CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O.CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O"
"CHEMBL3989945"	"REZAFUNGIN"	"BIAFUNGIN|CD-101|CD101|REZAFUNGIN|REZAFUNGIN CATION|REZAFUNGIN ION|SP-3025"	"Small molecule"	"3"	"1226.41"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1225.6027"	"None"	"C63H85N8O17+"	"CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](OCC[N+](C)(C)C)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1"
"CHEMBL2110577"	"ERYTHROMYCIN ACISTRATE"	"ERYTHROMYCIN|ERYTHROMYCIN ACISTRATE|Erasis"	"Small molecule"	"3"	"775.97"	"1"	"2"	"2.36"	"199.98"	"15"	"4"	"2"	"8"	"N"	"0.26"	"12.68"	"7.87"	"3.04"	"2.44"	"0"	"MOL"	"0"	"54"	"15"	"4"	"2"	"775.4718"	"NEUTRAL"	"C39H69NO14"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(C)=O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL1572"	"NETILMICIN"	"NETILMICIN|NETIRA|NSC-759586|Netilmicin"	"Small molecule"	"4"	"475.59"	"152"	"1362"	"-3.20"	"199.73"	"12"	"8"	"2"	"8"	"N"	"0.18"	"12.55"	"9.80"	"-3.53"	"-10.64"	"0"	"MOL"	"0"	"33"	"12"	"11"	"2"	"475.3006"	"BASE"	"C21H41N5O7"	"CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O"
"CHEMBL1256686"	"CALCIMYCIN"	"A-23187|ANTIBIOTIC A-23187|CALCIMYCIN"	"Small molecule"	"2"	"523.63"	"83"	"194"	"5.53"	"126.68"	"7"	"3"	"2"	"7"	"N"	"0.35"	"4.16"	"1.68"	"5.38"	"2.32"	"3"	"MOL"	"0"	"38"	"9"	"3"	"2"	"523.2682"	"ACID"	"C29H37N3O6"	"CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(=O)O"
"CHEMBL377559"	"RETASPIMYCIN HYDROCHLORIDE"	"IPI-504|IPI-504 HYDROCHLORIDE|RETASPIMYCIN HCL|RETASPIMYCIN HYDROCHLORIDE"	"Small molecule"	"3"	"624.18"	"8"	"14"	"4.16"	"172.60"	"9"	"6"	"2"	"6"	"N"	"0.16"	"9.62"	"4.55"	"3.80"	"3.79"	"1"	"MOL"	"0"	"42"	"11"	"7"	"3"	"587.3207"	"NEUTRAL"	"C31H46ClN3O8"	"C=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)N2.Cl"
"CHEMBL2364633"	"SARECYCLINE HYDROCHLORIDE"	"P-00562|PO-05672|PO05672|SARECYCLINE HYDROCHLORIDE|SEYSARA|WC-3035|WC3035"	"Small molecule"	"4"	"523.97"	""	""	"0.11"	"173.86"	"10"	"5"	"0"	"5"	"N"	"0.28"	"2.94"	"8.25"	"-3.04"	"-3.22"	"1"	"MOL"	"0"	"35"	"11"	"6"	"2"	"487.1955"	"ACID"	"C24H30ClN3O8"	"CON(C)Cc1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cl"
"CHEMBL376140"	"TIGECYCLINE"	"TIGECYCLINE|Tygacil|WAY-GAR-936"	"Small molecule"	"4"	"585.66"	"111"	"2040"	"0.51"	"205.76"	"11"	"7"	"3"	"6"	"N"	"0.18"	"2.84"	"8.61"	"-3.26"	"-3.41"	"1"	"MOL"	"0"	"42"	"13"	"8"	"3"	"585.2799"	"ZWITTERION"	"C29H39N5O8"	"CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O"
"CHEMBL2146142"	"ENVIOMYCIN"	"ENVIOMYCIN|ENVIOMYCIN SULFATE|TUBERACTINOMYCIN N"	"Protein"	"0"	"685.70"	""	""	"-9.02"	"390.36"	"13"	"16"	"3"	"10"	"N"	"0.09"	"8.73"	"15.37"	"-12.01"	"-17.17"	"0"	"MOL"	"0"	"48"	"23"	"19"	"3"	"685.3256"	"BASE"	"C25H43N13O10"	"N=C1NCC[C@H]([C@@H]2NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C[C@@H](N)[C@H](O)CCN)CNC2=O)N1"
"CHEMBL444633"	"RIFABUTIN"	"ANSAMYCIN|LM 427|LM-427|MYCOBUTIN|Mycobutin|RIFABUTIN"	"Small molecule"	"4"	"847.02"	"132"	"1071"	"4.62"	"205.55"	"14"	"5"	"2"	"4"	"N"	"0.26"	"6.88"	"7.87"	"3.88"	"3.94"	"1"	"MOL"	"0"	"61"	"15"	"5"	"2"	"846.4415"	"NEUTRAL"	"C46H62N4O11"	"CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O"
"CHEMBL417397"	""	""	"Small molecule"	"0"	"746.98"	"3"	"3"	"1.97"	"181.17"	"14"	"5"	"2"	"7"	"N"	"0.19"	"12.54"	"9.77"	"2.46"	"-1.45"	"0"	"MOL"	"-1"	"52"	"14"	"5"	"2"	"746.4929"	"BASE"	"C38H70N2O12"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@]3(CO3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL294380"	""	""	"Small molecule"	"0"	"821.10"	"3"	"3"	"2.70"	"189.31"	"15"	"5"	"2"	"11"	"N"	"0.15"	"12.35"	"9.57"	"2.90"	"-0.78"	"0"	"MOL"	"-1"	"57"	"15"	"5"	"2"	"820.5660"	"BASE"	"C42H80N2O13"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(CCCOC)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL292174"	""	""	"Small molecule"	"0"	"773.02"	"3"	"3"	"1.90"	"180.08"	"14"	"5"	"2"	"7"	"N"	"0.19"	"11.31"	"14.34"	"2.43"	"-1.08"	"0"	"MOL"	"-1"	"54"	"14"	"5"	"2"	"772.5085"	"BASE"	"C40H72N2O12"	"C#C[C@@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC"
"CHEMBL1563"	"DAUNORUBICIN HYDROCHLORIDE"	"Cerubidine|DAUNORUBICIN (AS HYDROCHLORIDE)|DAUNORUBICIN HCL|DAUNORUBICIN HYDROCHLORIDE|Daunoxome|FI 6339 HYDROCHLORIDE|FI 6339 [AS THE BASE]|FI-6339|FI-6339 HYDROCHLORIDE|NDC 0082-4155|NDC-0082-4155|NSC-82151|RP 13057 HYDROCHLORIDE|RP 13057 [AS THE BASE)|RP-13057|RP-13057 HYDROCHLORIDE"	"Small molecule"	"4"	"563.99"	"122"	"277"	"1.03"	"185.84"	"11"	"5"	"2"	"4"	"N"	"0.31"	"8.00"	"9.09"	"1.34"	"0.91"	"2"	"MOL"	"0"	"38"	"11"	"6"	"3"	"527.1791"	"BASE"	"C27H30ClNO10"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl"
"CHEMBL1200976"	"IDARUBICIN HYDROCHLORIDE"	"IDAMYCIN PFS|IDARUBICIN HCL|IDARUBICIN HYDROCHLORIDE|IDARUBICIN HYDROCHLORIDE PFS|IMI 30|IMI-30|Idamycin|NSC-256439|ZAVEDOS"	"Small molecule"	"4"	"533.96"	"44"	"89"	"1.02"	"176.61"	"10"	"5"	"0"	"3"	"N"	"0.33"	"8.02"	"9.18"	"1.51"	"1.06"	"2"	"MOL"	"0"	"36"	"10"	"6"	"1"	"497.1686"	"BASE"	"C26H28ClNO9"	"CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.Cl"
"CHEMBL43708"	"IMIPENEM"	"IMIPEMIDE|IMIPENEM|IMIPENEM HYDRATE|IMIPENEM MONOHYDRATE|IMIPENEM MONOHYDRATE (H2O)|Imipenem hydrate|MK-0787|NSC-759901"	"Small molecule"	"4"	"317.37"	"41"	"134"	"-0.18"	"113.72"	"5"	"4"	"0"	"7"	"N"	"0.22"	"3.44"	"11.80"	"-3.80"	"-3.80"	"0"	"MOL"	"0"	"20"	"7"	"4"	"0"	"299.0940"	"ZWITTERION"	"C12H19N3O5S"	"C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12.O"
"CHEMBL771"	"CYCLOSERINE"	"CYCLOSERINE|CYCLOSERINUM|Cycloserine|D-CYCLOSERINE|NSC-154851|NSC-76029|ORIENTOMYCIN|Seromycin"	"Small molecule"	"4"	"102.09"	"79"	"415"	"-1.62"	"64.35"	"3"	"2"	"0"	"0"	"N"	"0.39"	"4.21"	"8.36"	"-2.42"	"-2.42"	"0"	"MOL"	"0"	"7"	"4"	"3"	"0"	"102.0429"	"ACID"	"C3H6N2O2"	"N[C@@H]1CONC1=O"
"CHEMBL450895"	"NYSTATIN"	"BARSTATIN 100|CANDEX|INFESTAT|KOROSTATIN|L-NYSTATIN|MIKOSTATIN|MULTILIND|MYKINAC|Myco 20|Mycostatin|NILSTAT|NSC-150817|NYSERT|NYSPES|NYSTAFORM|NYSTAN TRIPLE PACK|NYSTATIN|NYSTATINUM|NYSTAVESCENT|NYSTEX|NYSTOP|TERRASTATIN|TINADERM M"	"Small molecule"	"4"	"926.11"	"273"	"2024"	"0.94"	"319.61"	"17"	"12"	"3"	"3"	"N"	"0.18"	"3.72"	"9.11"	"-1.94"	"-1.94"	"0"	"MOL"	"0"	"65"	"18"	"13"	"3"	"925.5035"	"ZWITTERION"	"C47H75NO17"	"C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/CC/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2"
"CHEMBL1240705"	"CARBAPENEM"	"(5R)-CARBAPENEM|ANTIBIOTIC TAN 458|CARBAPENEM|CARBAPENEM, (5R)-|SQ-27860"	"Small molecule"	"2"	"153.14"	"1"	"15"	"-0.04"	"57.61"	"2"	"1"	"0"	"1"	"Y"	"0.54"	"3.65"	"None"	"-0.67"	"-3.99"	"0"	"MOL"	"0"	"11"	"4"	"1"	"0"	"153.0426"	"ACID"	"C7H7NO3"	"O=C(O)C1=CC[C@@H]2CC(=O)N12"
"CHEMBL61"	"PODOFILOX"	"CONDYLINE|Condylox|NSC-24818|PODOFILOX|PODOPHYLLOTOXIN|Podophyllotoxin|WARTICON"	"Small molecule"	"4"	"414.41"	"321"	"1958"	"2.41"	"92.68"	"8"	"1"	"0"	"4"	"N"	"0.76"	"None"	"None"	"1.62"	"1.62"	"2"	"MOL"	"0"	"30"	"8"	"1"	"0"	"414.1315"	"NEUTRAL"	"C22H22O8"	"COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC"
"CHEMBL777"	"CLAVULANIC ACID"	"BRL 14151|BRL-14151|CLAVULANATE|CLAVULANIC ACID|Clavulanate|Clavulanic Acid|RX-10100|SERDAXIN"	"Small molecule"	"4"	"199.16"	"78"	"355"	"-1.10"	"87.07"	"4"	"2"	"0"	"2"	"N"	"0.55"	"3.32"	"None"	"-1.52"	"-4.94"	"0"	"MOL"	"0"	"14"	"6"	"2"	"0"	"199.0481"	"ACID"	"C8H9NO5"	"O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21"
"CHEMBL261772"	"MECLOCYCLINE SULFOSALICYLATE"	"MECLOCYCLINE 5-SULFOSALICYLATE|MECLOCYCLINE SULFOSALICYLATE|MECLOCYLINE SULFOSALICYLATE|Meclan|Meclocil|Mecloderm|Meclosorb|NSC-757831|Quoderm|SNX-1012|Traumatociclina"	"Small molecule"	"4"	"695.06"	"6"	"13"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"694.0872"	"None"	"C29H27ClN2O14S"	"C=C1c2c(Cl)ccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.O=C(O)c1cc(S(=O)(=O)O)ccc1O"
"CHEMBL1256723"	"DOXYCYCLINE HYDROCHLORIDE"	"DOXYCYCLINE HCL|DOXYCYCLINE HYDROCHLORIDE|NSC-756751"	"Small molecule"	"3"	"480.90"	"23"	"43"	"-0.35"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.33"	"2.92"	"7.46"	"-3.29"	"-3.57"	"1"	"MOL"	"0"	"32"	"10"	"7"	"1"	"444.1533"	"ACID"	"C22H25ClN2O8"	"C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl"
"CHEMBL2107818"	"ALDOXORUBICIN"	"ALDOXORUBICIN|DOXO-EMCH|DOXORUBICIN-EMCH|INNO-206"	"Small molecule"	"3"	"750.76"	"3"	"7"	"0.39"	"267.84"	"15"	"7"	"3"	"12"	"N"	"0.04"	"8.20"	"9.39"	"0.71"	"0.05"	"2"	"MOL"	"0"	"54"	"17"	"8"	"3"	"750.2748"	"BASE"	"C37H42N4O13"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCN1C(=O)C=CC1=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"
"CHEMBL1757"	"FOSFOMYCIN"	"CALCIUM FOSFOMYCIN|FOSFOCINA|FOSFOMYCIN|FOSFOMYCIN CALCIUM|FOSFOMYCIN CALCIUM HYDRATE|FOSFOMYCIN SODIUM|Fosfomycin|J01XX01|Monurol|NSC-758170|ZTI-01"	"Small molecule"	"4"	"138.06"	"72"	"394"	"-0.09"	"70.06"	"2"	"2"	"0"	"1"	"N"	"0.39"	"1.25"	"None"	"-0.74"	"-3.18"	"0"	"MOL"	"0"	"8"	"4"	"2"	"0"	"138.0082"	"ACID"	"C3H7O4P"	"C[C@@H]1O[C@@H]1P(=O)(O)O"
"CHEMBL1232"	"ERTAPENEM SODIUM"	"ERTAPENEM SODIUM|ERTAPENEM SODIUM SALT|Invanz|L-749345|MK-0826|MK-826"	"Small molecule"	"4"	"497.51"	"23"	"72"	"0.94"	"156.27"	"7"	"5"	"0"	"7"	"N"	"0.36"	"3.22"	"9.03"	"-3.23"	"-6.07"	"1"	"MOL"	"0"	"33"	"10"	"5"	"0"	"475.1413"	"ZWITTERION"	"C22H24N3NaO7S"	"C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)[O-])c4)C3)[C@H](C)[C@H]12.[Na+]"
"CHEMBL1200558"	"BACITRACIN"	"Albac 50|BACI-RX|BACIGUENT|BACIIM|BACILLIQUIN|BACITRACIN|BACITRACIN(NON-INJECTABLE)|BACITRACIN, STERILE|BACITRACINUM|Baciferm 50|E700|FORTRACIN|NSC-755905|PARENTRACIN|PENITRACIN|TOPITRACIN|TROPITRACIN|ZUTRACIN"	"Protein"	"4"	"1422.72"	"124"	"747"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"BOTH"	"0"	"None"	"None"	"None"	"None"	"1421.7489"	"None"	"C66H103N17O16S"	"CC[C@H](C)[C@H](N)C1=N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1"
"CHEMBL176"	"BEKANAMYCIN"	"AMINODEOXYKANAMYCIN|BEKANAMYCIN|BEKANAMYCIN SULFATE|KANAMYCIN B|Kantrex|Klebcil|NEBRAMYCIN V|NK 1006|NK-1006"	"Small molecule"	"3"	"483.52"	"45"	"272"	"-7.33"	"288.40"	"15"	"11"	"2"	"6"	"N"	"0.17"	"12.39"	"9.34"	"-7.17"	"-13.11"	"0"	"MOL"	"0"	"33"	"15"	"16"	"2"	"483.2540"	"BASE"	"C18H37N5O10"	"NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O"
"CHEMBL2106403"	"FLURITHROMYCIN"	"(8S)-8-FLUOROERYTHROMYCIN|FLURITHROMYCIN"	"Small molecule"	"0"	"751.93"	"2"	"19"	"1.88"	"193.91"	"14"	"5"	"2"	"7"	"N"	"0.24"	"12.45"	"8.38"	"2.43"	"1.41"	"0"	"MOL"	"0"	"52"	"14"	"5"	"2"	"751.4518"	"NEUTRAL"	"C37H66FNO13"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@](C)(F)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL3989864"	"AZOTOMYCIN"	"AZOTOMYCIN|DUAZOMYCIN B|NSC-56654"	"Small molecule"	"0"	"453.41"	"2"	"2"	"-2.47"	"265.76"	"7"	"5"	"0"	"16"	"N"	"0.09"	"1.96"	"9.03"	"-5.99"	"-10.53"	"0"	"MOL"	"0"	"32"	"15"	"6"	"2"	"453.1608"	"ZWITTERION"	"C17H23N7O8"	"[N-]=[N+]=CC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)CC[C@H](N)C(=O)O)C(=O)O"
"CHEMBL293566"	""	""	"Small molecule"	"0"	"830.11"	"3"	"3"	"1.84"	"183.32"	"15"	"5"	"2"	"8"	"N"	"0.18"	"11.25"	"14.34"	"2.69"	"-1.42"	"0"	"MOL"	"-1"	"58"	"15"	"5"	"2"	"829.5664"	"BASE"	"C43H79N3O12"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(C#CCN(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL302232"	""	""	"Small molecule"	"0"	"864.13"	"3"	"3"	"3.58"	"193.80"	"15"	"6"	"3"	"8"	"N"	"0.21"	"11.79"	"9.76"	"3.95"	"0.04"	"2"	"MOL"	"-1"	"61"	"15"	"6"	"3"	"863.5507"	"BASE"	"C46H77N3O12"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(c3cc4ccccc4n3C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL277081"	""	""	"Small molecule"	"0"	"1194.29"	"3"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1193.4600"	"None"	"C56H67N13O15S"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(SCc4ccc(-c5ccccc5)cc4)oc3c2)NC1=O"
"CHEMBL3989751"	"NEOMYCIN"	"FRADIOMYCIN|KAOMYCINE|NEOLATE|NEOMAS|NEOMIN|NEOMYCIN|PIMAVECORT|VONAMYCIN"	"Small molecule"	"4"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL1556"	"INOSINE"	"HYPOXANTHINE RIBOSIDE|HYPOXANTHOSINE|INO-1001|INOSINE|INOTIN|NSC-20262"	"Small molecule"	"3"	"268.23"	"36"	"59"	"-2.27"	"133.49"	"8"	"4"	"0"	"2"	"N"	"0.48"	"8.93"	"0.58"	"-2.48"	"-2.49"	"2"	"MOL"	"0"	"19"	"9"	"4"	"0"	"268.0808"	"NEUTRAL"	"C10H12N4O5"	"O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"
"CHEMBL457547"	"MICAFUNGIN"	"MICAFUNGIN|MYCAMINE"	"Small molecule"	"4"	"1270.29"	"107"	"1721"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1269.4384"	"None"	"C56H71N9O23S"	"CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)no2)cc1"
"CHEMBL1214185"	"ROXITHROMYCIN"	"NSC-758443|ROXITHROMYCIN|RU 28965|RU 965|RU-28965|RU-965|RULID|Rulide"	"Small molecule"	"4"	"837.06"	"143"	"672"	"2.21"	"216.89"	"17"	"5"	"2"	"13"	"N"	"0.08"	"12.45"	"9.08"	"3.00"	"1.32"	"0"	"MOL"	"0"	"58"	"17"	"5"	"2"	"836.5246"	"BASE"	"C41H76N2O15"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL556262"	"FAROPENEM"	"FAROPENEM|FROPENEM"	"Small molecule"	"3"	"285.32"	"25"	"224"	"0.37"	"87.07"	"5"	"2"	"0"	"3"	"N"	"0.73"	"3.97"	"None"	"-0.75"	"-3.93"	"0"	"MOL"	"0"	"19"	"6"	"2"	"0"	"285.0671"	"ACID"	"C12H15NO5S"	"C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12"
"CHEMBL383824"	"ALVESPIMYCIN"	"ALVESPIMYCIN|NSC-707545"	"Small molecule"	"2"	"616.76"	"38"	"123"	"1.91"	"169.52"	"10"	"4"	"1"	"7"	"N"	"0.24"	"12.78"	"7.41"	"1.85"	"1.55"	"0"	"MOL"	"0"	"44"	"12"	"5"	"2"	"616.3472"	"NEUTRAL"	"C32H48N4O8"	"CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O"
"CHEMBL278315"	"GELDANAMYCIN"	"GELDANAMYCIN|NSC-122750"	"Small molecule"	"2"	"560.64"	"141"	"429"	"2.41"	"163.48"	"9"	"3"	"1"	"4"	"N"	"0.35"	"12.77"	"None"	"2.15"	"2.15"	"0"	"MOL"	"0"	"40"	"11"	"4"	"2"	"560.2734"	"NEUTRAL"	"C29H40N2O9"	"COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O"
"CHEMBL2375161"	"SUROTOMYCIN"	"CB-183, 315|CB-183,315|CB-183315|SUROTOMYCIN"	"Protein"	"3"	"1680.75"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1679.7104"	"None"	"C77H101N17O26"	"CCCCCc1ccc(/C(C)=C/C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]2C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c3ccccc3N)C(=O)O[C@@H]2C)cc1"
"CHEMBL1200588"	"CLINDAMYCIN HYDROCHLORIDE"	"ANTIROBE|CLEOCIN HYDROCHLORIDE|CLINDAMYCIN (AS HYDROCHLORIDE)|CLINDAMYCIN HCL|CLINDAMYCIN HYDROCHLORIDE|CLINSOL|CLINTABS|Cleocin|Clindamycin Hydrochloride|DALACIN C|NSC-756696|SOBELIN|U-25179E"	"Small molecule"	"4"	"461.45"	"19"	"48"	"0.39"	"102.26"	"7"	"4"	"0"	"7"	"N"	"0.44"	"12.41"	"7.55"	"1.04"	"0.65"	"0"	"MOL"	"0"	"27"	"7"	"4"	"0"	"424.1799"	"NEUTRAL"	"C18H34Cl2N2O5S"	"CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1.Cl"
"CHEMBL1200474"	"DEMECLOCYCLINE HYDROCHLORIDE"	"DECLOSTATIN|DEMECLOCYCLINE HCL|DEMECLOCYCLINE HYDROCHLORIDE|DEMETHYLCHLORTETRACYCLINE HYDROCHLORIDE|Declomycin|LEDERMYCIN|NSC-756708"	"Small molecule"	"4"	"501.32"	"37"	"70"	"0.26"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.33"	"2.59"	"8.54"	"-3.17"	"-3.61"	"1"	"MOL"	"0"	"32"	"10"	"7"	"1"	"464.0986"	"ZWITTERION"	"C21H22Cl2N2O8"	"CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12.Cl"
"CHEMBL99"	"TRICHOSTATIN"	"A-300-I|ANTIBIOTIC A-300|GNF-Pf-1011|TRICHOSTATIN|TRICHOSTATIN(S)"	"Small molecule"	"1"	"302.37"	"132"	"1071"	"2.58"	"69.64"	"4"	"2"	"0"	"6"	"N"	"0.28"	"9.57"	"3.36"	"2.41"	"2.41"	"1"	"MOL"	"0"	"22"	"5"	"2"	"0"	"302.1630"	"NEUTRAL"	"C17H22N2O3"	"CC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1"
"CHEMBL203125"	"FOSMIDOMYCIN"	"FOSMIDOMYCIN"	"Small molecule"	"3"	"183.10"	"49"	"167"	"-0.60"	"98.07"	"3"	"3"	"0"	"5"	"N"	"0.23"	"1.81"	"None"	"-2.21"	"-4.60"	"0"	"MOL"	"0"	"11"	"6"	"3"	"0"	"183.0297"	"ACID"	"C4H10NO5P"	"O=CN(O)CCCP(=O)(O)O"
"CHEMBL21"	"SULFANILAMIDE"	"ANILINE-P-SULFONIC AMIDE|NSC-7618|P-AMINOBENZENESULFAMIDE|P-AMINOBENZENESULFONAMIDE|PRONTOSIL I|PRONTYLIN|STREPTOCID|SULFAMINE|SULFANILAMIDE|SULFONAMIDE|SULPHANILAMIDUM|Sulfanilamide"	"Small molecule"	"4"	"172.21"	"184"	"1288"	"-0.08"	"86.18"	"3"	"2"	"0"	"1"	"N"	"0.58"	"10.99"	"2.27"	"-0.25"	"-0.25"	"1"	"MOL"	"0"	"11"	"4"	"4"	"0"	"172.0306"	"NEUTRAL"	"C6H8N2O2S"	"Nc1ccc(S(N)(=O)=O)cc1"
"CHEMBL1200453"	"DOCOSANOL"	"Abreva|BEHENIC ALCOHOL|BEHENYL ALCOHOL|DOCOSANOL|Docosanol|LIDAKOL|N-DOCOSANOL|NSC-8407|STENOL 1822"	"Small molecule"	"4"	"326.61"	"6"	"21"	"7.80"	"20.23"	"1"	"1"	"1"	"20"	"N"	"0.23"	"None"	"None"	"8.81"	"8.81"	"0"	"MOL"	"0"	"23"	"1"	"1"	"1"	"326.3549"	"NEUTRAL"	"C22H46O"	"CCCCCCCCCCCCCCCCCCCCCCO"
"CHEMBL1201752"	"IXABEPILONE"	"AZAEPOTHILONE B|BMS 247550-01|BMS-247550|BMS-247550-01|IXABEPILONE|IXEMPRA|IXEMPRA KIT|Ixempra|NSC-747973"	"Small molecule"	"4"	"506.71"	"16"	"90"	"4.05"	"112.05"	"7"	"3"	"1"	"2"	"N"	"0.52"	"13.85"	"2.73"	"3.39"	"3.39"	"1"	"MOL"	"0"	"35"	"7"	"3"	"1"	"506.2814"	"NEUTRAL"	"C27H42N2O5S"	"C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1"
"CHEMBL1908336"	"MIDECAMYCIN"	"ABOREN|ESPINOMYCIN A|LEUCOMYCIN V, 3,4B-DIPROPANOATE|MACROPEN|MEDECAMYCIN A1|MEDEMYCIN|MEDEMYCIN A1|MIDECAMYCIN|MIDECAMYCIN A1|MIDECIN|MOMICINE|MYDECAMYCIN|MYDECAMYCIN A1|MYOXAM|NORMICINA|NSC-154011|PLATENOMYCIN B1|RUBIMYCIN|SF-837|SF-837A1|TURIMYCIN P3|YL-704B1"	"Small molecule"	"0"	"813.98"	"7"	"24"	"2.62"	"206.05"	"16"	"3"	"2"	"12"	"N"	"0.15"	"12.71"	"7.90"	"2.84"	"2.23"	"0"	"MOL"	"0"	"57"	"16"	"3"	"2"	"813.4511"	"NEUTRAL"	"C41H67NO15"	"CCOC(=O)[C@@H]1CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H]1OC"
"CHEMBL1446"	"KANAMYCIN SULFATE"	"KANAMYCIN A SULFATE|KANAMYCIN A SULPHATE|KANAMYCIN MONOSULFATE|KANAMYCIN MONOSULPHATE|KANAMYCIN SULFATE|Kantrex|Klebcil|NSC-757068"	"Small molecule"	"4"	"582.58"	"26"	"76"	"-7.29"	"282.61"	"15"	"11"	"2"	"6"	"N"	"0.17"	"12.05"	"9.34"	"-7.06"	"-12.20"	"0"	"MOL"	"0"	"33"	"15"	"15"	"2"	"484.2381"	"BASE"	"C18H38N4O15S"	"NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O"
"CHEMBL2105890"	"MITEMCINAL FUMARATE"	"115-8543 JAPAN|115-8543-JAPAN|5-1 UKIMA 5 CHOME|5-1-UKIMA-5-CHOME|GM-611|KITA-KU TOYKO|MITEMCINAL FUMARATE"	"Small molecule"	"2"	"872.06"	""	""	"4.53"	"151.68"	"13"	"2"	"2"	"9"	"N"	"0.32"	"12.63"	"9.63"	"4.90"	"2.68"	"0"	"MOL"	"0"	"53"	"13"	"2"	"2"	"755.4820"	"BASE"	"C44H73NO16"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC.O=C(O)/C=C/C(=O)O"
"CHEMBL3989551"	"LINCOMYCIN HYDROCHLORIDE"	"ALBIOTIC|LINCOLNENSIN HYDROCHLORIDE|LINCOLNENSIN HYDROCHLORIDE MONOHYDRATE|LINCOMIX|LINCOMYCIN (AS HYDROCHLORIDE)|LINCOMYCIN HCL|LINCOMYCIN HYDROCHLORIDE|LINCOMYCIN HYDROCHLORIDE ANHDROUS|LINCOMYCIN HYDROCHLORIDE HYDRATE|LINCOMYCIN HYDROCHLORIDE MONOHYDRATE|LINCOMYCIN HYDROCHLORIDE USP|Lincocin|NSC-70731|NSC-757092"	"Small molecule"	"4"	"461.02"	""	""	"-0.86"	"122.49"	"8"	"5"	"0"	"7"	"N"	"0.37"	"12.37"	"7.97"	"-0.32"	"-0.99"	"0"	"MOL"	"0"	"27"	"8"	"5"	"0"	"406.2138"	"NEUTRAL"	"C18H37ClN2O7S"	"CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1.Cl.O"
"CHEMBL3249110"	"13-DEOXYDOXORUBICIN"	"13-DEOXYDOXORUBICIN|GPX-100"	"Small molecule"	"2"	"529.54"	"3"	"12"	"0.82"	"189.00"	"11"	"6"	"3"	"5"	"N"	"0.26"	"8.21"	"9.39"	"0.66"	"0.00"	"2"	"MOL"	"0"	"38"	"11"	"7"	"3"	"529.1948"	"BASE"	"C27H31NO10"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(CCO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"
"CHEMBL1359"	"ERTAPENEM"	"ERTAPENEM|Ertapenem|Invanz"	"Small molecule"	"4"	"475.52"	"128"	"1751"	"0.94"	"156.27"	"7"	"5"	"0"	"7"	"N"	"0.36"	"3.22"	"9.03"	"-3.23"	"-6.07"	"1"	"MOL"	"0"	"33"	"10"	"5"	"0"	"475.1413"	"ZWITTERION"	"C22H25N3O7S"	"C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)O)c4)C3)[C@H](C)[C@H]12"
"CHEMBL17976"	"RESINIFERATOXIN"	"LOPAIN|MTX-071|MTX-71|Neuroclastin|RESINIFERATOXIN|RTX"	"Small molecule"	"3"	"628.72"	"6"	"8"	"4.74"	"120.75"	"9"	"2"	"1"	"8"	"N"	"0.32"	"9.94"	"None"	"5.59"	"5.59"	"2"	"MOL"	"0"	"46"	"9"	"2"	"1"	"628.2672"	"NEUTRAL"	"C37H40O9"	"C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Cc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2"
"CHEMBL15413"	"FLOMOXEF"	"FLOMOXEF|FLOMOXEF SODIUM"	"Small molecule"	"3"	"496.47"	"16"	"82"	"-1.29"	"169.00"	"12"	"3"	"1"	"11"	"N"	"0.19"	"3.08"	"None"	"-0.11"	"-3.57"	"1"	"MOL"	"0"	"32"	"13"	"3"	"1"	"496.0646"	"ACID"	"C15H18F2N6O7S2"	"CO[C@@]1(NC(=O)CSC(F)F)C(=O)N2C(C(=O)O)=C(CSc3nnnn3CCO)CO[C@@H]21"
"CHEMBL300816"	""	""	"Small molecule"	"0"	"761.01"	"3"	"3"	"2.11"	"188.87"	"14"	"6"	"3"	"8"	"N"	"0.16"	"12.18"	"14.35"	"2.72"	"-1.19"	"0"	"MOL"	"-1"	"53"	"14"	"6"	"3"	"760.5085"	"BASE"	"C39H72N2O12"	"C=C[C@@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC"
"CHEMBL2304059"	""	""	"Unknown"	"0"	"1303.26"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1302.4030"	"None"	"C66H62N8O21"	"COC(=O)[C@H]1NC(=O)C2NC(=O)C(NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@H](NC(=O)[C@H](N)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)[C@H](O)c4ccc(cc4)Oc4cc3cc(c4O)Oc3ccc(cc3)[C@H]2O[C@@H]2C[C@@H](N)[C@@H](O)[C@@H](C)O2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21"
"CHEMBL406708"	""	""	"Small molecule"	"0"	"1174.24"	"3"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1173.4880"	"None"	"C57H67N13O15"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(C=C(c4ccccc4)c4ccccc4)oc3c2)NC1=O"
"CHEMBL292025"	""	""	"Small molecule"	"0"	"811.07"	"3"	"3"	"3.09"	"188.87"	"14"	"6"	"3"	"8"	"N"	"0.21"	"12.01"	"9.76"	"3.71"	"-0.20"	"1"	"MOL"	"-1"	"57"	"14"	"6"	"3"	"810.5242"	"BASE"	"C43H74N2O12"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(c3ccccc3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL441792"	""	""	"Small molecule"	"0"	"807.08"	"3"	"3"	"2.36"	"198.10"	"15"	"6"	"3"	"11"	"N"	"0.13"	"12.35"	"9.77"	"2.52"	"-1.39"	"0"	"MOL"	"-1"	"56"	"15"	"6"	"3"	"806.5504"	"BASE"	"C41H78N2O13"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(CCCOC)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL374478"	"RIFAMPIN"	"ABRIFAM|BA 411661E|BA-41166E|EREMFAT|L-5103|L-5103 LEPETIT|L-5103-LEPETIT|NIH-10782|NSC-113926|RIFADINE|RIFALDAZINE|RIFALDIN|RIFAMPICIN|RIFAMPICINUM|RIFAMPIN|RIFAMYCIN AMP|RIFAPIAM|RIFAPRODIN|RIFOLDIN|RIMACTAN|Rifadin|Rifampicin|Rimactane"	"Small molecule"	"4"	"822.95"	"322"	"6932"	"4.34"	"220.15"	"15"	"6"	"3"	"4"	"N"	"0.11"	"6.80"	"7.37"	"2.95"	"2.87"	"2"	"MOL"	"0"	"59"	"16"	"6"	"3"	"822.4051"	"NEUTRAL"	"C43H58N4O12"	"CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"
"CHEMBL217872"	""	""	"Protein"	"0"	"909.96"	"3"	"3"	"-4.32"	"362.14"	"17"	"13"	"3"	"10"	"N"	"0.07"	"10.08"	"20.62"	"-4.28"	"-7.59"	"4"	"BOTH"	"-1"	"66"	"23"	"15"	"3"	"909.3882"	"BASE"	"C43H51N13O10"	"C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc3nc(-c4ccccc4)oc3c2)NC1=O"
"CHEMBL59080"	""	""	"Small molecule"	"0"	"746.98"	"3"	"3"	"1.97"	"181.17"	"14"	"5"	"2"	"7"	"N"	"0.19"	"12.54"	"9.77"	"2.46"	"-1.45"	"0"	"MOL"	"-1"	"52"	"14"	"5"	"2"	"746.4929"	"BASE"	"C38H70N2O12"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@]3(CO3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL300372"	""	""	"Small molecule"	"0"	"791.08"	"3"	"3"	"3.12"	"188.87"	"14"	"6"	"3"	"10"	"N"	"0.18"	"12.35"	"9.77"	"3.75"	"-0.16"	"0"	"MOL"	"-1"	"55"	"14"	"6"	"3"	"790.5555"	"BASE"	"C41H78N2O12"	"CCCC[C@@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC"
"CHEMBL571546"	"TIRBANIBULIN"	"KLISYRI|KX-01|KX-2-391|KX-2391|KX2-391|KX2391|TIRBANIBULIN"	"Small molecule"	"4"	"431.54"	"331"	"1419"	"3.32"	"63.69"	"5"	"1"	"0"	"9"	"N"	"0.56"	"None"	"6.63"	"3.21"	"3.14"	"3"	"MOL"	"0"	"32"	"6"	"1"	"0"	"431.2209"	"NEUTRAL"	"C26H29N3O3"	"O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1ccccc1"
"CHEMBL1200331"	"FOSFOMYCIN TROMETHAMINE"	"FOSFOMYCIN TROMETAMOL|FOSFOMYCIN TROMETAMOL (1:1)|FOSFOMYCIN TROMETAMOL SALT|FOSFOMYCIN TROMETHAMINE|Monuril|Monurol|Z 1282|Z-1282"	"Small molecule"	"4"	"259.19"	""	""	"-0.09"	"70.06"	"2"	"2"	"0"	"1"	"N"	"0.39"	"1.25"	"None"	"-0.74"	"-3.18"	"0"	"MOL"	"0"	"8"	"4"	"2"	"0"	"138.0082"	"ACID"	"C7H18NO7P"	"C[C@@H]1O[C@@H]1P(=O)(O)O.NC(CO)(CO)CO"
"CHEMBL2322189"	"FOSFOMYCIN SODIUM"	"FOSFOMYCIN DISODIUM|FOSFOMYCIN SODIUM|NSC-136017"	"Small molecule"	"3"	"160.04"	"1"	"1"	"-0.09"	"70.06"	"2"	"2"	"0"	"1"	"N"	"0.39"	"1.25"	"None"	"-0.74"	"-3.18"	"0"	"MOL"	"0"	"8"	"4"	"2"	"0"	"138.0082"	"ACID"	"C3H6NaO4P"	"C[C@@H]1O[C@@H]1P(=O)([O-])O.[Na+]"
"CHEMBL1201191"	"LEVOCETIRIZINE"	"(-)-CETIRIZINE|(R)-CETIRIZINE|CETIRIZINE (R)-FORM|CETIRIZINE, (-)-|CETIRIZINE, (R)-|LEVOCETIRIZINE|XAZAL|XYZAL"	"Small molecule"	"4"	"388.90"	"19"	"22"	"3.15"	"53.01"	"4"	"1"	"0"	"8"	"N"	"0.70"	"3.59"	"7.42"	"0.87"	"0.65"	"2"	"MOL"	"0"	"27"	"5"	"1"	"0"	"388.1554"	"ACID"	"C21H25ClN2O3"	"O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1"
"CHEMBL2103796"	"BERUBICIN HYDROCHLORIDE"	"BERUBICIN HCL|BERUBICIN HYDROCHLORIDE|RTA 744|RTA-744|WP-744|WP744"	"Small molecule"	"2"	"670.11"	""	""	"2.23"	"195.07"	"12"	"5"	"2"	"8"	"N"	"0.18"	"7.99"	"9.01"	"2.87"	"2.50"	"3"	"MOL"	"0"	"46"	"12"	"6"	"3"	"633.2210"	"BASE"	"C34H36ClNO11"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](OCc2ccccc2)[C@H](C)O1.Cl"
"CHEMBL1200628"	"VANCOMYCIN HYDROCHLORIDE"	"FIRVANQ|FIRVANQ KIT|NSC-757377|VANCOCIN|VANCOCIN MATRIGEL|VANCOLED|VANCOMYCIN (AS HYDROCHLORIDE)|VANCOMYCIN HCL|VANCOMYCIN HYDROCHLORIDE|VANCOMYCIN MONOHYDROCHLORIDE|VANCOMYCIN, MONOHYDROCHLORIDE|VANCOR|Vancocin Hydrochloride|Vanoled"	"Small molecule"	"4"	"1485.73"	"27"	"103"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1447.4302"	"None"	"C66H76Cl3N9O24"	"CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O.Cl"
"CHEMBL127"	"MEROPENEM"	"ICI 194,660|ICI-194660|MERONEM|MEROPENEM|MEROPENEM (AS TRIHYDRATE)|MEROPENEM ANHYDROUS|MEROPENEM HYDRATE|MEROPENEM TRIHYDRATE|MEROPENEM, ANHYDROUS|MERREM I.V.|Merrem|Merrem i.v.|NSC-759621|SM-7338"	"Small molecule"	"4"	"383.47"	"333"	"6032"	"-0.31"	"110.18"	"6"	"3"	"0"	"5"	"N"	"0.56"	"3.28"	"9.39"	"-4.35"	"-4.36"	"0"	"MOL"	"0"	"26"	"8"	"3"	"0"	"383.1515"	"ZWITTERION"	"C17H25N3O5S"	"C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12"
"CHEMBL437"	"SULFATHIAZOLE"	"NSC-31812|NSC-683531|SULFATHIAZOLE|SULFATHIAZOLE (TRIPLE SULFA)|SULPHATHIAZOLE|Sulfathiazole|THIAZAMIDE|TRIPLE SULFA (SULFATHIAZOLE)"	"Small molecule"	"4"	"255.32"	"206"	"922"	"1.53"	"85.08"	"5"	"2"	"0"	"3"	"N"	"0.81"	"6.93"	"2.04"	"0.98"	"0.50"	"2"	"MOL"	"0"	"16"	"5"	"3"	"0"	"255.0136"	"NEUTRAL"	"C9H9N3O2S2"	"Nc1ccc(S(=O)(=O)Nc2nccs2)cc1"
"CHEMBL4594539"	"BOTULINUM TOXIN TYPE E"	"BONTOXILYSIN-E|BOTULINUM NEUROTOXIN TYPE E|BOTULINUM TOXIN TYPE E|EB-001"	"Unknown"	"2"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL1201569"	"BOTULINUM TOXIN TYPE B"	"AN-0772|BOTULIN B|BOTULINUM TOXIN TYPE B|MYOBLOC|NEUROBLOC"	"Unknown"	"4"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"SEQ"	"0"	""	""	""	""	""	""	""	""
"CHEMBL417"	"EPIRUBICIN"	"4'-EPI-ADRIAMYCIN|EPIADRIAMYCIN|EPIDOXORUBICIN|EPIRUBICIN|Ellence|Epirubicin|FARMORUBICIN|NSC-256942"	"Small molecule"	"4"	"543.53"	"148"	"1019"	"0.00"	"206.07"	"12"	"6"	"3"	"5"	"N"	"0.24"	"8.00"	"9.03"	"0.53"	"0.10"	"2"	"MOL"	"0"	"39"	"12"	"7"	"3"	"543.1741"	"BASE"	"C27H29NO11"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1"
"CHEMBL2219414"	"ERAVACYCLINE DIHYDROCHLORIDE"	"ERAVACYCLINE DIHYDROCHLORIDE|TP-434-046|TP434046|XERAVA"	"Small molecule"	"4"	"631.49"	"1"	"1"	"0.29"	"193.73"	"10"	"6"	"2"	"5"	"N"	"0.22"	"2.62"	"8.53"	"-3.27"	"-3.51"	"1"	"MOL"	"0"	"40"	"12"	"7"	"3"	"558.2126"	"ZWITTERION"	"C27H33Cl2FN4O8"	"CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4C[C@H]3C[C@@H]12.Cl.Cl"
"CHEMBL4297142"	"CASPOFUNGIN ACETATE"	"CASPOFUNGIN ACETATE|CASPOFUNGIN DIACETATE|Cancidas|MK-0991"	"Small molecule"	"4"	"1213.43"	"2"	"4"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1092.6431"	"None"	"C56H96N10O19"	"CC(=O)O.CC(=O)O.CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O"
"CHEMBL2105630"	"ALVESPIMYCIN HYDROCHLORIDE"	"17-DMAG HCL|ALVESPIMYCIN HCL|ALVESPIMYCIN HYDROCHLORIDE|BMS-826476|KOS-1022"	"Small molecule"	"1"	"653.22"	"2"	"5"	"1.91"	"169.52"	"10"	"4"	"1"	"7"	"N"	"0.24"	"12.78"	"7.41"	"1.85"	"1.55"	"0"	"MOL"	"0"	"44"	"12"	"5"	"2"	"616.3472"	"NEUTRAL"	"C32H49ClN4O8"	"CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O.Cl"
"CHEMBL2068971"	"ROSTAFUROXIN"	"ROSTAFUROXIN"	"Small molecule"	"2"	"374.52"	"3"	"7"	"3.99"	"73.83"	"4"	"3"	"0"	"1"	"N"	"0.69"	"13.22"	"None"	"2.91"	"2.91"	"1"	"MOL"	"0"	"27"	"4"	"3"	"0"	"374.2457"	"NEUTRAL"	"C23H34O4"	"C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@]1(O)CC[C@]2(O)c1ccoc1"
"CHEMBL3989564"	"TOBRAMYCIN SULFATE"	"GERNEBCIN|NEBICINA|Nebcin|OBRACIN|TOBRA|TOBRADISTIN|TOBRAMYCIN SULFATE|TOBRAMYCIN SULFATE (2:5)|TOBRAMYCIN SULFATE (PHARMACY BULK)|TOBRAMYCIN SULPHATE"	"Small molecule"	"4"	"1425.44"	""	""	"-6.30"	"268.17"	"14"	"10"	"2"	"6"	"N"	"0.17"	"12.53"	"9.54"	"-6.48"	"-13.16"	"0"	"MOL"	"0"	"32"	"14"	"15"	"2"	"467.2591"	"BASE"	"C36H84N10O38S5"	"NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O.NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O"
"CHEMBL438"	"SULFAMERAZINE"	"Mesulfa|Methypyrimal|NSC-27259|SULFAMERAZINE|SULFAMERAZINE (TRISULFAPYRIMIDINES)|SULPHAMERAZINE|Sulfamerazine|Sulfamethyldiazine|Sumedin"	"Small molecule"	"4"	"264.31"	"127"	"321"	"1.17"	"97.97"	"5"	"2"	"0"	"3"	"N"	"0.81"	"6.99"	"2.00"	"0.52"	"0.08"	"2"	"MOL"	"0"	"18"	"6"	"3"	"0"	"264.0681"	"NEUTRAL"	"C11H12N4O2S"	"Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1"
"CHEMBL262268"	""	""	"Small molecule"	"0"	"812.05"	"3"	"3"	"2.48"	"201.76"	"15"	"6"	"3"	"8"	"N"	"0.21"	"11.53"	"9.76"	"2.74"	"-1.03"	"1"	"MOL"	"-1"	"57"	"15"	"6"	"3"	"811.5194"	"BASE"	"C42H73N3O12"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(c3ccccn3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL1540"	"PENCICLOVIR"	"BRL-39123|Denavir|FENISTIL|NSC-759624|PENCICLOVIR|VECTAVIR"	"Small molecule"	"4"	"253.26"	"165"	"907"	"-0.90"	"130.31"	"8"	"4"	"0"	"5"	"N"	"0.54"	"11.59"	"0.94"	"-1.08"	"-1.08"	"2"	"MOL"	"0"	"18"	"8"	"5"	"0"	"253.1175"	"NEUTRAL"	"C10H15N5O3"	"Nc1nc(O)c2ncn(CCC(CO)CO)c2n1"
"CHEMBL1517"	"OXYTETRACYCLINE"	"5-HYDROXYTETRACYCLINE DIHYDRATE|BERKMYCEN|CHEMOCYCLINE|E703|GALENOMYCIN|Hi-Tet|IMPERACIN|Microtet|NITOX|NSC-757262|NSC-9169|OXITETRACYCLINE|OXTC|OXYMYCIN|OXYTETRACYCLINE|OXYTETRACYCLINE (ANHYDROUS)|OXYTETRACYCLINE ANHYDROUS|OXYTETRACYCLINE DEHYDRATE|OXYTETRACYCLINE DIHYDRATE|OXYTETRACYCLINUM DIHYDRAS|OXYTETRAMIX-250|Oxytetracycline|TERRAFUNGINE|TERRAMYCINE|Terramycin|Tetraplex|UNIMYCIN"	"Small molecule"	"4"	"460.44"	"183"	"722"	"-1.24"	"201.85"	"10"	"7"	"1"	"2"	"N"	"0.26"	"2.84"	"7.38"	"-4.50"	"-4.82"	"1"	"MOL"	"0"	"33"	"11"	"8"	"2"	"460.1482"	"ACID"	"C22H24N2O9"	"CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12"
"CHEMBL359744"	"DOXORUBICIN HYDROCHLORIDE"	"ADRIABLASTINA CS|ADRIAMYCIN PFS|ADRIAMYCIN, HYDROCHLORIDE|Adriamycin|Adriamycin rdf|CAELYX|DOXIL (LIPOSOMAL)|DOXORUBICIN CITRATE|DOXORUBICIN CITRIC ACID SALT|DOXORUBICIN HCL|DOXORUBICIN HYDROCHLORIDE|DOXORUBICIN HYDROCHLORIDE (LIPOSOMAL)|DOXORUBICIN LIPOSOMAL COMPLEX OF THE HYDROCHLORIDE|DOXORUBICINI HYDROCHLORIDUM|Doxil|Doxorubicin Hydrochloride|HYDROXYDAUNOMYCIN HYDROCHLORIDE|LIPOSOMAL DOXORUBICIN HYDROCHLORIDE|MYOCET|Rubex"	"Small molecule"	"4"	"579.99"	"244"	"1317"	"0.00"	"206.07"	"12"	"6"	"3"	"5"	"N"	"0.24"	"8.00"	"9.03"	"0.53"	"0.10"	"2"	"MOL"	"0"	"39"	"12"	"7"	"3"	"543.1741"	"BASE"	"C27H30ClNO11"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl"
"CHEMBL1208572"	"SALINOMYCIN"	"E716|PROCOXACIN|SALINOMYCIN"	"Small molecule"	"0"	"751.01"	"172"	"630"	"6.19"	"161.21"	"10"	"4"	"2"	"12"	"N"	"0.17"	"4.45"	"None"	"7.51"	"4.66"	"0"	"MOL"	"0"	"53"	"11"	"4"	"3"	"750.4918"	"ACID"	"C42H70O11"	"CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C"
"CHEMBL410570"	""	""	"Small molecule"	"0"	"1337.56"	"2"	"3"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1336.2476"	"None"	"C57H56N14O13S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)N4CC(C(=O)N[C@H](CCC(=O)O)C(=O)O)C4)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL4298122"	"CHLOROTOXIN"	"CHLOROTOXIN|TM 601|TM-601|TM601"	"Unknown"	"2"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL1167"	"SPECTINOMYCIN"	"ACTINOSPECTACIN|ADSPEC|CHX-3101|PROSPEC|SPECTINOMYCIN|Spectinomycin|Trobicin"	"Small molecule"	"4"	"332.35"	"141"	"539"	"-2.93"	"129.51"	"9"	"5"	"0"	"2"	"N"	"0.36"	"8.66"	"9.17"	"-2.20"	"-3.09"	"0"	"MOL"	"0"	"23"	"9"	"5"	"0"	"332.1584"	"BASE"	"C14H24N2O7"	"CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12"
"CHEMBL387675"	"DAPTOMYCIN"	"CIDECIN|CUBICIN RF|Cubicin|DAPCIN|DAPTOMYCIN|LY 146032|LY-146032|LY-164032"	"Protein"	"4"	"1620.69"	"122"	"2680"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1619.7104"	"None"	"C72H101N17O26"	"CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C"
"CHEMBL174"	"AMPICILLIN"	"AMFIPEN|AMINOBENZYLPENICILLIN|AMINOBENZYLPENICILLIN TRIHYDRATE|AMPICILLIN|AMPICILLIN (ANHYDROUS)|AMPICILLIN ANHYDROUS|AMPICILLIN HYDRATE|AMPICILLIN TRIHYDRATE|AMPICILLIN, ANHYDROUS|AMPICILLIN/AMPICILLIN TRIHYDRATE|AMPICILLINUM|AMPILAR|ANHYDROUS AMPICILLIN|AY-6108|Alpha-Aminobenzylpenicillin|Amcill|Ampicillin|BRITCIN|BRL-1341|NSC-528986|OMNIPEN (AMPICILLIN)|Omnipen|Omnipen-N|P-50|PENBRITIN|PFIZERPEN-A|POLY-CILLIN|PRINCIPEN '125'|PRINCIPEN '250'|PRINCIPEN '500'|Penbritin|Penbritin-S|Pfizerpen-A|Polycillin|Polycillin-N|Polycillin-Prb|Principen|Probampacin|REDICILIN|SEMICILLIN|TOKIOCILLIN|TOTACILLIN|Totacillin|Totacillin-N|ULTRABION|VIDOPEN|WY 5103"	"Small molecule"	"4"	"349.41"	"508"	"7193"	"0.32"	"112.73"	"5"	"3"	"0"	"4"	"N"	"0.67"	"3.24"	"7.23"	"-2.00"	"-2.36"	"1"	"MOL"	"0"	"24"	"7"	"4"	"0"	"349.1096"	"ACID"	"C16H19N3O4S"	"CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O"
"CHEMBL1096885"	"VALRUBICIN"	"AD 32|AD-32|NSC-246131|VALRUBICIN|VALSTAR PRESERVATIVE FREE|Valstar"	"Small molecule"	"4"	"723.65"	"11"	"35"	"2.46"	"215.22"	"13"	"5"	"2"	"10"	"N"	"0.15"	"6.86"	"None"	"4.49"	"3.92"	"2"	"MOL"	"0"	"51"	"14"	"5"	"2"	"723.2139"	"NEUTRAL"	"C34H36F3NO13"	"CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O"
"CHEMBL1200506"	"ERYTHROMYCIN LACTOBIONATE"	"ERYTHROMYCIN|ERYTHROMYCIN LACTOBIONATE|ERYTHROMYCINI LACTOBIONAS|Erythrocin|STERILE ERYTHROMYCIN LACTOBIONATE"	"Small molecule"	"4"	"1092.23"	"1"	"3"	"1.79"	"193.91"	"14"	"5"	"2"	"7"	"N"	"0.24"	"12.45"	"8.38"	"2.60"	"1.57"	"0"	"MOL"	"0"	"51"	"14"	"5"	"2"	"733.4612"	"NEUTRAL"	"C49H89NO25"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO"
"CHEMBL3184791"	"STREPTOMYCIN SULFATE"	"AGRIMYCIN 17|AGRIMYCIN SULFATE|AMBISTRYN S|Agri-Strep|NSC-757316|STREPTOMYCIN (AS SULFATE)|STREPTOMYCIN SESQUISULFATE|STREPTOMYCIN SULFATE|STREPTOMYCIN SULPHATE|STREPTOMYCINI SULFAS|Streptorex|VETSTREP|Vetstrep"	"Small molecule"	"4"	"1457.40"	"11"	"38"	"-8.16"	"336.43"	"15"	"12"	"3"	"9"	"N"	"0.07"	"11.23"	"10.07"	"-7.06"	"-11.79"	"0"	"MOL"	"0"	"40"	"19"	"16"	"3"	"581.2657"	"BASE"	"C42H84N14O36S3"	"CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O"
"CHEMBL372795"	"STREPTOMYCIN"	"Chemform|Gerox|NSC-14083|STREPTOMYCIN|Strepcen"	"Small molecule"	"4"	"581.58"	"270"	"2964"	"-8.16"	"336.43"	"15"	"12"	"3"	"9"	"N"	"0.07"	"11.23"	"10.07"	"-7.06"	"-11.79"	"0"	"MOL"	"0"	"40"	"19"	"16"	"3"	"581.2657"	"BASE"	"C21H39N7O12"	"CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O"
"CHEMBL404785"	""	""	"Small molecule"	"0"	"1168.43"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1167.2100"	"None"	"C50H49N13O9S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(C(=O)NCCO)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL415602"	""	""	"Small molecule"	"0"	"1256.49"	"9"	"11"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1255.2261"	"None"	"C53H53N13O12S6"	"CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(COC(=O)NCC(O)CC(=O)O)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C"
"CHEMBL1201723"	"SINECATECHINS"	"CAMELLIA SINENSIS CATECHINS|CAMELLIA SINENSIS LEAF CATECHINS|KUNECATECHINS|POLYPHENON E|SINECATECHINS|Sinecatechins|Veregen"	"Unknown"	"4"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"NONE"	"0"	""	""	""	""	""	""	""	""
"CHEMBL376488"	"BEDAQUILINE"	"BEDAQUILINE|R-207910|R207910|SIRTURO|TMC-207|TMC207"	"Small molecule"	"4"	"555.52"	"57"	"432"	"7.13"	"45.59"	"4"	"1"	"2"	"8"	"N"	"0.22"	"13.61"	"8.91"	"7.13"	"5.61"	"5"	"MOL"	"0"	"37"	"4"	"1"	"2"	"554.1569"	"BASE"	"C32H31BrN2O2"	"COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12"
"CHEMBL1765508"	"SPERGUALIN"	"ANTIBIOTIC BMG 162AF2|ANTIBIOTIC BMG-162AF2|LS-74246|SPERGUALIN"	"Small molecule"	"2"	"619.99"	"5"	"7"	"7.57"	"62.30"	"3"	"1"	"2"	"5"	"N"	"0.23"	"None"	"2.84"	"6.75"	"6.75"	"4"	"MOL"	"0"	"43"	"5"	"1"	"2"	"619.1461"	"NEUTRAL"	"C31H24ClF6N3O2"	"O=C(N[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccc(Cl)cc2)C1)c1ccnc2ccccc12"
"CHEMBL788"	"IDOXURIDINE"	"5-IUDR|5IUDR|ALLERGAN 211|ALLERGAN-211|Allergan 211|Allergan-211|Dendrid|Herplex|IDOX|IDOXURIDINE|IDOXURIDINUM|IDU|JODDEOXIURIDIN|KERECID|NSC-39661|OPHTHALMADINE|SK&F 14287|SK&F-14287|Stoxil"	"Small molecule"	"4"	"354.10"	"168"	"661"	"-1.22"	"104.55"	"6"	"3"	"0"	"2"	"N"	"0.58"	"8.46"	"None"	"-0.53"	"-0.57"	"1"	"MOL"	"0"	"17"	"7"	"3"	"0"	"353.9713"	"NEUTRAL"	"C9H11IN2O5"	"O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I"
"CHEMBL2103929"	"LYMECYCLINE"	"CICLOLYSAL|CICLOLYSINE|LYMECYCLINE|MUCOMYCIN|TETRACYCLINE-L-METHYLENELYSINE|TETRACYCLINEMETHYLENELYSINE|TETRALYSAL|TETRALYSAL 150|TETRALYSAL 300"	"Small molecule"	"4"	"602.64"	"2"	"19"	"-0.45"	"242.98"	"12"	"9"	"3"	"10"	"N"	"0.09"	"2.11"	"9.56"	"-6.60"	"-6.63"	"1"	"MOL"	"0"	"43"	"14"	"10"	"3"	"602.2588"	"ZWITTERION"	"C29H38N4O10"	"CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12"
"CHEMBL1697843"	"METILDIGOXIN"	".BETA.-METHYLDIGOXIN|4'''-.BETA.-METHYLDIGOXIN|4'''-O-METHYLDIGOXIN|DIGOXIN, 4'''-O-METHYL-|LANIRAPID|LANITOP|MEDIGOXIN|METHYLDIGOXIN|METHYLDIGOXIN, BETA|METILDIGOXIN"	"Small molecule"	"4"	"794.98"	"3"	"5"	"2.87"	"192.06"	"14"	"5"	"2"	"8"	"N"	"0.18"	"7.15"	"None"	"3.01"	"2.57"	"0"	"MOL"	"0"	"56"	"14"	"5"	"2"	"794.4453"	"NEUTRAL"	"C42H66O14"	"CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C"
"CHEMBL53463"	"DOXORUBICIN"	"ADRIABLASTIN|Adriamycin|Adriblastina|DOXORUBICIN|Doxil|Doxorubicin|EPIRUBICIN HYDROCHLORIDE IMPURITY, DOXORUBICIN-|HYDROXYDAUNORUBICIN|NSC-123127|NSC-759155|Rubex|VALRUBICIN IMPURITY, DOXORUBICIN"	"Small molecule"	"4"	"543.53"	"1135"	"12959"	"0.00"	"206.07"	"12"	"6"	"3"	"5"	"N"	"0.24"	"8.00"	"9.03"	"0.53"	"0.10"	"2"	"MOL"	"0"	"39"	"12"	"7"	"3"	"543.1741"	"BASE"	"C27H29NO11"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"
"CHEMBL1751"	"DIGOXIN"	"DIGAMEX|DIGOXIN|DIGOXIN PEDIATRIC|DIGOXINUM|DYNAMOS|Digoxin|FARGOXIN|LANOCARDIN|LANOXICAPS|LANOXIN PEDIATRIC|LANOXIN-125|LANOXIN-PG|Lanoxin|MAPLUXIN|NATIGOXIN|NSC-95100|ROUGOXIN|STILLACOR-|TOLOXIN|VANOXIN|Vanoxin"	"Small molecule"	"4"	"780.95"	"249"	"1406"	"2.22"	"203.06"	"14"	"6"	"3"	"7"	"N"	"0.16"	"7.15"	"None"	"2.37"	"1.92"	"0"	"MOL"	"0"	"55"	"14"	"6"	"3"	"780.4296"	"NEUTRAL"	"C41H64O14"	"C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O"
"CHEMBL11252"	"STALLIMYCIN"	"DISTAMYCIN A|NSC-82150|STALLIMYCIN"	"Small molecule"	"0"	"481.52"	"87"	"195"	"0.83"	"181.06"	"8"	"6"	"1"	"10"	"N"	"0.14"	"None"	"12.55"	"-1.08"	"-3.35"	"3"	"MOL"	"0"	"35"	"13"	"7"	"2"	"481.2186"	"BASE"	"C22H27N9O4"	"Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCCC(=N)N"
"CHEMBL3989568"	"OXYTETRACYCLINE CALCIUM"	"CALCIUM DIOXYTETRACYCLINE|OXYTETRACYCLINE CALCIUM|OXYTETRACYCLINE HEMICALCIUM|Terramycin"	"Small molecule"	"4"	"958.94"	""	""	"-1.24"	"201.85"	"10"	"7"	"1"	"2"	"N"	"0.26"	"2.84"	"7.38"	"-4.50"	"-4.82"	"1"	"MOL"	"0"	"33"	"11"	"8"	"2"	"460.1482"	"ACID"	"C44H46CaN4O18"	"CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.[Ca+2]"
"CHEMBL236297"	"RIFALAZIL"	"KRM-1648|RIFALAZIL"	"Small molecule"	"3"	"941.09"	"10"	"44"	"6.43"	"230.66"	"16"	"5"	"3"	"5"	"N"	"0.08"	"4.52"	"8.63"	"4.48"	"2.89"	"2"	"MOL"	"0"	"68"	"17"	"5"	"3"	"940.4470"	"ZWITTERION"	"C51H64N4O13"	"CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"
"CHEMBL3989506"	"TROMANTADINE"	"TROMANTADINE"	"Small molecule"	"0"	"280.41"	"1"	"2"	"1.65"	"41.57"	"3"	"1"	"0"	"6"	"N"	"0.75"	"None"	"8.57"	"1.13"	"-0.07"	"0"	"MOL"	"0"	"20"	"4"	"1"	"0"	"280.2151"	"BASE"	"C16H28N2O2"	"CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2"
"CHEMBL292597"	""	""	"Small molecule"	"0"	"775.03"	"3"	"3"	"2.50"	"188.87"	"14"	"6"	"3"	"9"	"N"	"0.15"	"12.32"	"9.77"	"3.01"	"-0.90"	"0"	"MOL"	"-1"	"54"	"14"	"6"	"3"	"774.5242"	"BASE"	"C40H74N2O12"	"C=CC[C@@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC"
"CHEMBL2221249"	"COLISTIN"	"COLISTIN|Polymyxin E"	"Protein"	"4"	"2296.97"	"145"	"1354"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"2295.5570"	"None"	"C105H202N32O24"	"CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O"
"CHEMBL4297307"	"NEOSAXITOXIN"	"NEOSAXITOXIN|NEOSTX"	"Small molecule"	"1"	"315.29"	""	""	"-3.54"	"193.75"	"9"	"7"	"1"	"2"	"N"	"0.25"	"10.74"	"8.63"	"-2.41"	"-3.73"	"0"	"MOL"	"0"	"22"	"12"	"9"	"2"	"315.1291"	"BASE"	"C10H17N7O5"	"N=C1N(O)[C@@H](COC(N)=O)[C@@H]2N=C(N)N[C@]23N1CCC3(O)O"
"CHEMBL58145"	""	""	"Small molecule"	"0"	"749.00"	"3"	"3"	"1.95"	"188.87"	"14"	"6"	"3"	"7"	"N"	"0.21"	"12.40"	"9.77"	"2.34"	"-1.57"	"0"	"MOL"	"-1"	"52"	"14"	"6"	"3"	"748.5085"	"BASE"	"C38H72N2O12"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@](C)(O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL59410"	""	""	"Small molecule"	"0"	"795.09"	"3"	"3"	"2.29"	"188.87"	"15"	"6"	"3"	"9"	"N"	"0.19"	"12.22"	"9.76"	"2.78"	"-1.13"	"0"	"MOL"	"-1"	"54"	"14"	"6"	"3"	"794.4962"	"BASE"	"C39H74N2O12S"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(CSC)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL434021"	""	""	"Small molecule"	"0"	"787.04"	"3"	"3"	"2.29"	"180.08"	"14"	"5"	"2"	"7"	"N"	"0.19"	"11.28"	"14.34"	"3.26"	"-0.24"	"0"	"MOL"	"-1"	"55"	"14"	"5"	"2"	"786.5242"	"BASE"	"C41H74N2O12"	"CC#C[C@@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC"
"CHEMBL1436"	"CEFUROXIME"	"640/359|CEFUROXIME|CEFUROXIME ACID|Cefuroxime|Cefuroximine|Kefurox|Zinacef"	"Small molecule"	"4"	"424.39"	"135"	"1431"	"-0.54"	"173.76"	"9"	"3"	"0"	"7"	"N"	"0.30"	"2.96"	"None"	"-0.90"	"-4.38"	"1"	"MOL"	"0"	"29"	"12"	"4"	"1"	"424.0689"	"ACID"	"C16H16N4O8S"	"CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1"
"CHEMBL564085"	"TROLEANDOMYCIN"	"ACETYLOLEANDOMYCIN|NSC-108166|OLEANDOMYCIN (AS TROLEANDOMYCIN)|OLEANDOMYCIN TRIACETATE ESTER|TRIACETYLOLEANDOMYCIN|TROLEANDOMYCIN"	"Small molecule"	"4"	"813.98"	"19"	"59"	"3.62"	"184.19"	"16"	"0"	"2"	"9"	"N"	"0.19"	"None"	"7.87"	"4.30"	"3.70"	"0"	"MOL"	"0"	"57"	"16"	"0"	"2"	"813.4511"	"NEUTRAL"	"C41H67NO15"	"CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](OC(C)=O)[C@@H](C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@H]2C)O[C@@H](C)[C@@H]1OC(C)=O"
"CHEMBL1658"	"RETAPAMULIN"	"ALTABAX|ALTARGO|Aitabax|NSC-759885|RETAPAMULIN|SB 275833|SB-275833"	"Small molecule"	"4"	"517.78"	"26"	"156"	"5.25"	"66.84"	"6"	"1"	"2"	"5"	"N"	"0.40"	"None"	"9.69"	"4.37"	"2.11"	"0"	"MOL"	"0"	"36"	"5"	"1"	"2"	"517.3226"	"BASE"	"C30H47NO4S"	"C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O"
"CHEMBL3085504"	"BLEOMYCIN SULFATE"	"BLEOMYCIN SULFATE|BLEOMYCIN SULPHATE|BLEOMYCINI SULFAS|BLEOMYCINS SULFATE|BLEXANE|Blenoxane"	"Small molecule"	"4"	"1513.66"	"5"	"7"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1414.5184"	"None"	"C55H86N17O25S4+"	"Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1.O=S(=O)(O)O"
"CHEMBL284483"	"COFORMYCIN"	"COFORMYCIN|NSC-277817"	"Small molecule"	"2"	"284.27"	"5"	"13"	"-2.21"	"132.36"	"9"	"5"	"0"	"2"	"N"	"0.42"	"12.37"	"8.30"	"-2.92"	"-3.81"	"1"	"MOL"	"0"	"20"	"9"	"5"	"0"	"284.1121"	"NEUTRAL"	"C11H16N4O5"	"OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)[C@H](O)[C@@H]1O"
"CHEMBL2206196"	"PAROMOMYCIN SULFATE"	"AMINOSIDINE SULFATE|CRESTOMYCIN SULFATE|ESTOMYCIN SULFATE|GABBRORAL|Humatin|NSC-758421|PAROMOMYCIN SULFATE"	"Small molecule"	"4"	"713.71"	"14"	"28"	"-8.86"	"347.32"	"19"	"13"	"3"	"9"	"N"	"0.11"	"12.15"	"9.59"	"-8.31"	"-13.96"	"0"	"MOL"	"0"	"42"	"19"	"18"	"3"	"615.2963"	"BASE"	"C23H47N5O18S"	"NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O"
"CHEMBL408035"	""	""	"Small molecule"	"0"	"812.05"	"3"	"3"	"2.48"	"201.76"	"15"	"6"	"3"	"8"	"N"	"0.21"	"11.87"	"9.76"	"2.49"	"-1.42"	"1"	"MOL"	"-1"	"57"	"15"	"6"	"3"	"811.5194"	"BASE"	"C42H73N3O12"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(c3cccnc3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL2107827"	"ALDOXORUBICIN HYDROCHLORIDE"	"ALDOXORUBICIN HYDROCHLORIDE|INNO-206|INNO-206 HYDROCHLORIDE"	"Small molecule"	"2"	"787.22"	""	""	"0.39"	"267.84"	"15"	"7"	"3"	"12"	"N"	"0.04"	"8.20"	"9.39"	"0.71"	"0.05"	"2"	"MOL"	"0"	"54"	"17"	"8"	"3"	"750.2748"	"BASE"	"C37H43ClN4O13"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCN1C(=O)C=CC1=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl"
"CHEMBL1091024"	"MIOCAMYCIN"	"3'',9-DIACETYLMYDECAMYCIN|9,3''-DI-O-ACETYLMIDECAMYCIN|ACECAMYCIN|MIDECAMYCIN ACETATE|MIDECAMYCIN DIACETATE|MIOCAMYCIN|Miocamycin|Miokamycin|PONSINOMYCIN"	"Small molecule"	"0"	"898.05"	"8"	"58"	"3.91"	"218.19"	"18"	"1"	"2"	"14"	"N"	"0.15"	"12.75"	"7.90"	"4.07"	"3.45"	"0"	"MOL"	"0"	"63"	"18"	"1"	"2"	"897.4722"	"NEUTRAL"	"C45H71NO17"	"CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)OC(C)=O"
"CHEMBL426926"	"ARBEKACIN"	"ARBEKACIN|ARBEKACIN SULFATE|ME-1100|ME1100"	"Small molecule"	"0"	"552.63"	"17"	"113"	"-6.40"	"297.27"	"15"	"11"	"3"	"10"	"N"	"0.12"	"12.38"	"9.91"	"-6.85"	"-15.61"	"0"	"MOL"	"0"	"38"	"16"	"16"	"3"	"552.3119"	"BASE"	"C22H44N6O10"	"NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O"
"CHEMBL1554"	"DACTINOMYCIN"	"ACTINOMYCIN C1|ACTINOMYCIN D|ACTINOMYCIN I1|ACTINOMYCIN IV|ACTINOMYCIN X1|ACTINOMYCIN-D|COSMEGEN LYOVAC|Cosmegen|DACTINOMYCIN|DACTINOMYCINUM|DILACTONE ACTINOMYCIN D ACID|GNF-PF-2290|GNF-Pf-1977|MERACTINOMYCIN|NCI-C04682|NSC-3053|ONCOSTATIN K"	"Protein"	"4"	"1255.44"	"243"	"1444"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1254.6285"	"None"	"C62H86N12O16"	"Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O"
"CHEMBL2106071"	"CLOMOCYCLINE"	"CHLORMETHYLENCYCLINE|CLOMOCYCLINE"	"Small molecule"	"0"	"508.91"	""	""	"0.02"	"187.86"	"10"	"7"	"2"	"3"	"N"	"0.22"	"2.61"	"8.55"	"-3.24"	"-3.68"	"1"	"MOL"	"0"	"35"	"11"	"7"	"3"	"508.1249"	"ZWITTERION"	"C23H25ClN2O9"	"CN(C)[C@@H]1C(O)=C(C(=O)NCO)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12"
"CHEMBL2364623"	"PLAZOMICIN SULFATE"	"ACHN-490|PLAZOMICIN HEMIPENTASULFATE|PLAZOMICIN SULFATE|ZEMDRI"	"Small molecule"	"4"	"690.77"	""	""	"-5.36"	"269.29"	"15"	"11"	"3"	"13"	"N"	"0.09"	"12.39"	"9.76"	"-6.10"	"-14.22"	"0"	"MOL"	"0"	"41"	"16"	"14"	"3"	"592.3432"	"BASE"	"C25H50N6O14S"	"CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CNCCO)=CC[C@H]3N)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CCN)OC[C@]1(C)O.O=S(=O)(O)O"
"CHEMBL267345"	"AMPHOTERICIN B"	"AMBIL|AMOPHOTERICIN B|AMPHO-MORONAL|AMPHOTERCIN B|AMPHOTERICIN|AMPHOTERICIN B|AMPHOTERICIN B DEOXYCHOLATE|AMPHOTERICIN B LIPID COMPLEX|AMPHOTERICIN B LIPOSOMAL|AMPHOTERICIN B LIPOSOMAL COMPLEX|AMPHOTERICIN B LIPOSOME|AMPHOTERICIN B, LIPOSOME|AMPHOTERICINE B|AMPHOTERICINUM B|AMPHOTERICITIN B|AMPHOTOCERIN|AMPHOTREICIN B|AMPOTERICIN B|Abelcet|Ambisome|Amphotec|FUNGILIN|FUNGILIN IN ORABASE|Fungizone|HALIZON|NSC-527017"	"Small molecule"	"4"	"924.09"	"421"	"7818"	"0.71"	"319.61"	"17"	"12"	"3"	"3"	"N"	"0.17"	"3.69"	"9.12"	"-2.30"	"-2.31"	"0"	"MOL"	"0"	"65"	"18"	"13"	"3"	"923.4878"	"ZWITTERION"	"C47H73NO17"	"C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2"
"CHEMBL2103854"	"OMADACYCLINE TOSYLATE"	"NUZYRA|OMADACYCLINE TOSILATE|OMADACYCLINE TOSYLATE|PTK 0796|PTK-0796"	"Small molecule"	"4"	"728.87"	"1"	"4"	"1.32"	"176.66"	"10"	"6"	"2"	"6"	"N"	"0.28"	"2.85"	"10.49"	"-2.18"	"-2.25"	"1"	"MOL"	"0"	"40"	"11"	"7"	"3"	"556.2897"	"ZWITTERION"	"C36H48N4O10S"	"CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cc1ccc(S(=O)(=O)O)cc1"
"CHEMBL1186894"	"AMRUBICIN"	"AMRUBICIN"	"Small molecule"	"3"	"483.47"	"4"	"12"	"0.63"	"176.61"	"10"	"5"	"0"	"3"	"N"	"0.33"	"8.10"	"7.02"	"1.74"	"1.81"	"2"	"MOL"	"0"	"35"	"10"	"6"	"1"	"483.1529"	"NEUTRAL"	"C25H25NO9"	"CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O"
"CHEMBL870"	"ALENDRONIC ACID"	"ALENDRONATE|ALENDRONIC ACID|Alendronate|Alendronic Acid|BINOSTO|FOSAMAX|Fosamax"	"Small molecule"	"4"	"249.10"	"137"	"666"	"-1.27"	"161.31"	"4"	"6"	"1"	"5"	"N"	"0.33"	"0.69"	"9.91"	"-4.19"	"-6.56"	"0"	"MOL"	"0"	"14"	"8"	"7"	"1"	"249.0167"	"ZWITTERION"	"C4H13NO7P2"	"NCCCC(O)(P(=O)(O)O)P(=O)(O)O"
"CHEMBL2108611"	"INOTUZUMAB OZOGAMICIN"	"Besponsa|CMC-544|INOTUZUMAB OZOGAMICIN|Inotuzumab ozogamicin|PF-05208773|WAY-207294|WAY-207294 CMC-544"	"Antibody"	"4"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"SEQ"	"0"	""	""	""	""	""	""	""	""
"CHEMBL529"	"AZITHROMYCIN"	"ANHYDROUS AZITHROMYCIN|ARUZILINA|AZIROMYCIN|AZITHROCIN|AZITHROMYCIN|AZITHROMYCIN (AS DIHYDRATE)|AZITHROMYCIN ANHYDROUS|AZITHROMYCIN DIHYDRATE|AZITHROMYCIN HYDRATE|AZITHROMYCIN, UNSPECIFIED|AZITHROMYCIN, UNSPECIFIED FORM|AZIWIN|AZYTER|Azasite|CLAMELLE|CP 62993|CP-62,993|CP-62993|DURASITE|HEMOMYCIN|MACROZIT|NSC-758625|SUMAMED|Sumamed|Sunamed|TROZOCINA|XITHRONE|XZ 405|XZ 450|XZ-450|ZITHROMAC|ZMax|ZYTHROMAX|Zithromax"	"Small molecule"	"4"	"749.00"	"251"	"3418"	"1.90"	"180.08"	"14"	"5"	"2"	"7"	"N"	"0.24"	"12.43"	"9.57"	"2.44"	"-1.23"	"0"	"MOL"	"0"	"52"	"14"	"5"	"2"	"748.5085"	"BASE"	"C38H72N2O12"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL1282"	"IMIQUIMOD"	"Aldara|IMIQUIMOD|NSC-369100|NSC-759651|R-837|S-26308|S26308|ZYCLARA"	"Small molecule"	"4"	"240.31"	"134"	"605"	"2.82"	"56.73"	"4"	"1"	"0"	"2"	"N"	"0.75"	"None"	"5.01"	"2.65"	"2.65"	"3"	"MOL"	"0"	"18"	"4"	"2"	"0"	"240.1375"	"NEUTRAL"	"C14H16N4"	"CC(C)Cn1cnc2c(N)nc3ccccc3c21"
"CHEMBL3184512"	"CLINDAMYCIN PHOSPHATE"	"CLEOCIN PHOSPHATE|CLEOCIN T|CLINDA-DERM|CLINDAMYCIN 2-DIHYDROGEN PHOSPHATE|CLINDAMYCIN PHOSPHATE|CLINDAMYCIN PHOSPHATE SYSTEM SUITABILITY|CLINDETS|Cleocin|Clindagel|Clindesse|DALACIN|DALACIN C PHOS|DALACIN T|Evoclin|NSC-618653|U 28508|U-28,508|U-28508|ZINDACLIN"	"Small molecule"	"4"	"504.97"	"5"	"13"	"0.51"	"148.79"	"8"	"5"	"1"	"9"	"N"	"0.22"	"0.71"	"7.55"	"-0.57"	"-2.35"	"0"	"MOL"	"0"	"31"	"10"	"5"	"1"	"504.1462"	"ACID"	"C18H34ClN2O8PS"	"CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)N(C)C1"
"CHEMBL3833378"	"PENIMEPICYCLINE"	"CRISEOCIL|GEOTRICYN|MEPICYCLINE PENICILLINATE|PENETRACYNE|PENIMEPICYCLINE"	"Small molecule"	"0"	"937.04"	""	""	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"936.3575"	"None"	"C45H56N6O14S"	"CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O.CN(C)[C@@H]1C(O)=C(C(=O)NCN2CCN(CCO)CC2)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12"
"CHEMBL1447"	"LINCOMYCIN"	"LINCOLNENSIN|LINCOMYCIN|Lincomycin|U-10,149|U-10149"	"Small molecule"	"4"	"406.55"	"139"	"884"	"-0.86"	"122.49"	"8"	"5"	"0"	"7"	"N"	"0.37"	"12.37"	"7.97"	"-0.32"	"-0.99"	"0"	"MOL"	"0"	"27"	"8"	"5"	"0"	"406.2138"	"NEUTRAL"	"C18H34N2O6S"	"CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1"
"CHEMBL1237054"	"PLICAMYCIN"	"A-2371|ANTIBIOTIC LA-7017|AUREOLIC ACID|LA-7017|MITHRAMYCIN|MITHRAMYCIN A|Mithracin|NSC-24559|PA-144|PLICAMYCIN"	"Small molecule"	"4"	"1085.16"	"34"	"108"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1084.4727"	"None"	"C52H76O24"	"CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@@H]2C[C@@H](O)[C@@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@H](O)[C@@H](C)O1"
"CHEMBL373081"	"MICRONOMICIN"	"6'-N-METHYLGENTAMICIN C1A|GENTAMICIN C2B|MICRONOMICIN|MICRONOMICIN SULFATE"	"Small molecule"	"0"	"463.58"	"2"	"4"	"-3.72"	"199.73"	"12"	"8"	"2"	"7"	"N"	"0.18"	"12.55"	"10.06"	"-3.55"	"-11.67"	"0"	"MOL"	"0"	"32"	"12"	"11"	"2"	"463.3006"	"BASE"	"C20H41N5O7"	"CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1"
"CHEMBL2110580"	"BERUBICIN"	"BERUBICIN"	"Small molecule"	"2"	"633.65"	""	""	"2.23"	"195.07"	"12"	"5"	"2"	"8"	"N"	"0.18"	"7.99"	"9.01"	"2.87"	"2.50"	"3"	"MOL"	"0"	"46"	"12"	"6"	"3"	"633.2210"	"BASE"	"C34H35NO11"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](OCc2ccccc2)[C@H](C)O1"
"CHEMBL2106006"	"CHLORTETRACYCLINE BISULFATE"	"CHLORTETRACYCLINE BISULFATE|CHLORTETRACYCLINE BISULPHATE"	"Small molecule"	"0"	"576.96"	""	""	"0.44"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.33"	"2.64"	"8.55"	"-2.89"	"-3.33"	"1"	"MOL"	"0"	"33"	"10"	"7"	"1"	"478.1143"	"ZWITTERION"	"C22H25ClN2O12S"	"CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12.O=S(=O)(O)O"
"CHEMBL2146063"	"CHLORTETRACYCLINE HYDROCHLORIDE"	"AUREOMICINA|AUREOMYCIN MONOHYDROCHLORIDE|Aureomycin|CHLORTET HCL|CHLORTETRACYCLINE HCL|CHLORTETRACYCLINE HYDROCHLORIDE|CHLORTETRACYCLINI HYDROCHLORIDUM|Fermycin|ISPHAMYCIN|Isaphamycin|NSC-13252"	"Small molecule"	"4"	"515.35"	"32"	"44"	"0.44"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.33"	"2.64"	"8.55"	"-2.89"	"-3.33"	"1"	"MOL"	"0"	"33"	"10"	"7"	"1"	"478.1143"	"ZWITTERION"	"C22H24Cl2N2O8"	"CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12.Cl"
"CHEMBL2146100"	"CHLORTETRACYCLINE CALCIUM"	"CALCIUM CHLORTETRACYCLINE|CHLOROTETRACYCLINE CALCIUM SALT|CHLORTETRACYCLINE CALCIUM"	"Small molecule"	"0"	"516.95"	""	""	"0.44"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.33"	"2.64"	"8.55"	"-2.89"	"-3.33"	"1"	"MOL"	"0"	"33"	"10"	"7"	"1"	"478.1143"	"ZWITTERION"	"C22H21CaClN2O8"	"CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C([O-])=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12.[Ca+2]"
"CHEMBL404520"	"CHLORTETRACYCLINE"	"CHLOROTETRACYCLINE|CHLORTETRACYCLINE|Chlortetracycline|E702"	"Small molecule"	"4"	"478.89"	"124"	"864"	"0.44"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.33"	"2.64"	"8.55"	"-2.89"	"-3.33"	"1"	"MOL"	"0"	"33"	"10"	"7"	"1"	"478.1143"	"ZWITTERION"	"C22H23ClN2O8"	"CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12"
"CHEMBL491571"	"DORIPENEM"	"DORIBAX|DORIPENEM|Finibax|S-4661"	"Small molecule"	"4"	"420.51"	"142"	"1977"	"-1.60"	"162.06"	"7"	"5"	"0"	"7"	"N"	"0.31"	"3.34"	"9.51"	"-5.56"	"-5.57"	"0"	"MOL"	"0"	"27"	"10"	"6"	"1"	"420.1137"	"ZWITTERION"	"C15H24N4O6S2"	"C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12"
"CHEMBL3989571"	"SPECTINOMYCIN HYDROCHLORIDE"	"Actinospectacin|Espectinomicina|M-141|NSC-248616|NSC-757319|SPECTINOMYCIN DIHYDROCHLORIDE|SPECTINOMYCIN HCL|SPECTINOMYCIN HCL PENTAHYDRATE|SPECTINOMYCIN HYDROCHLORIDE|SPECTINOMYCINI HYDROCHLORIDUM|Spectam|Stanilo|Trobicin|U-18,409AE|U-18409AE"	"Small molecule"	"4"	"495.35"	"2"	"4"	"-2.93"	"129.51"	"9"	"5"	"0"	"2"	"N"	"0.36"	"8.66"	"9.17"	"-2.20"	"-3.09"	"0"	"MOL"	"0"	"23"	"9"	"5"	"0"	"332.1584"	"BASE"	"C14H36Cl2N2O12"	"CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12.Cl.Cl.O.O.O.O.O"
"CHEMBL177"	"AMIKACIN"	"AMIKACIN|AMIKACINUM|Amikacin|Amikin|BAY 41-6551|LUKADIN|NSC-177001|POTENTOX"	"Small molecule"	"4"	"585.61"	"217"	"3294"	"-8.42"	"331.94"	"17"	"13"	"3"	"10"	"N"	"0.11"	"12.16"	"9.61"	"-8.58"	"-15.10"	"0"	"MOL"	"0"	"40"	"18"	"17"	"3"	"585.2857"	"BASE"	"C22H43N5O13"	"NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O"
"CHEMBL2074725"	"ACETYLDIGOXIN"	".ALPHA.-ACETYLDIGOXIN|ACETYLDIGOXIN|DIGOXIN, 3'''-ACETATE|LANATILIN|SANDOLANID|beta-Acetyldigoxin"	"Small molecule"	"0"	"822.99"	"1"	"1"	"2.79"	"209.13"	"15"	"5"	"2"	"8"	"N"	"0.18"	"7.15"	"None"	"2.81"	"2.37"	"0"	"MOL"	"0"	"58"	"15"	"5"	"2"	"822.4402"	"NEUTRAL"	"C43H66O15"	"CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O"
"CHEMBL221886"	"SISOMICIN"	"RICKAMICIN|SCH 13475|SISOMICIN|SISSOMICIN"	"Small molecule"	"3"	"447.53"	"135"	"726"	"-3.85"	"213.72"	"12"	"8"	"2"	"6"	"N"	"0.20"	"12.55"	"9.59"	"-4.32"	"-11.46"	"0"	"MOL"	"0"	"31"	"12"	"12"	"2"	"447.2693"	"BASE"	"C19H37N5O7"	"CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O"
"CHEMBL1753"	"CLINDAMYCIN"	"7(S)-CHLORO-7-DEOXYLINCOMYCIN|Antirobe|CHLORODEOXYLINCOMYCIN|CHLOROLINCOMYCIN|CLINDAMYCIN|Cleocin|Cleocin T|Clindamycin|Sobelin|U-21,251|U-21251"	"Small molecule"	"4"	"424.99"	"283"	"3605"	"0.39"	"102.26"	"7"	"4"	"0"	"7"	"N"	"0.44"	"12.41"	"7.55"	"1.04"	"0.65"	"0"	"MOL"	"0"	"27"	"7"	"4"	"0"	"424.1799"	"NEUTRAL"	"C18H33ClN2O5S"	"CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1"
"CHEMBL4208954"	"AMIKACIN SULFATE"	"AMIKACIN (AS SULFATE)|AMIKACIN SULFATE|AMIKACIN SULPHATE|AMIKACINI SULFAS|ARIKAYCE|ARIKAYCE KIT|Amiglyde|Amikin|BB-K8|NSC-755846"	"Small molecule"	"4"	"781.77"	"4"	"4"	"-8.42"	"331.94"	"17"	"13"	"3"	"10"	"N"	"0.11"	"12.16"	"9.61"	"-8.58"	"-15.10"	"0"	"MOL"	"0"	"40"	"18"	"17"	"3"	"585.2857"	"BASE"	"C22H47N5O21S2"	"NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O"
"CHEMBL413864"	""	""	"Small molecule"	"0"	"1362.20"	"4"	"5"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"-1"	"None"	"None"	"None"	"None"	"1360.3559"	"None"	"C69H62Cl2N8O18"	"NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(cc(O)c(CNC2C4CC5CC(C4)CC2C5)c1O)[C@H](C(=O)O)NC3=O"
"CHEMBL2364574"	"DOXYCYCLINE CALCIUM"	"DOXYCYCLINE CALCIUM|Vibramycin"	"Small molecule"	"4"	"926.94"	""	""	"-0.35"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.33"	"2.92"	"7.46"	"-3.29"	"-3.57"	"1"	"MOL"	"0"	"32"	"10"	"7"	"1"	"444.1533"	"ACID"	"C44H46CaN4O16"	"C[C@H]1c2cccc([O-])c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.C[C@H]1c2cccc([O-])c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.[Ca+2]"
"CHEMBL1117"	"IDARUBICIN"	"IDARUBICIN|Idamycin|Idarubicin"	"Small molecule"	"4"	"497.50"	"175"	"1278"	"1.02"	"176.61"	"10"	"5"	"0"	"3"	"N"	"0.33"	"8.02"	"9.18"	"1.51"	"1.06"	"2"	"MOL"	"0"	"36"	"10"	"6"	"1"	"497.1686"	"BASE"	"C26H27NO9"	"CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O"
"CHEMBL184618"	"FRAMYCETIN"	"ACTILIN|ANTIBIOTIC 10676|ANTIBIOTIQUE EF 185|DEKAMYCIN III|ENTERFRAM|FRADIOMYCIN B|FRAMIDAL|FRAMYCETIN|FRAMYCIN|FRAMYGEN|FRANCETIN|NEOMYCIN B"	"Small molecule"	"3"	"614.65"	"215"	"1736"	"-8.90"	"353.11"	"19"	"13"	"3"	"9"	"N"	"0.11"	"12.15"	"9.71"	"-8.42"	"-15.47"	"0"	"MOL"	"0"	"42"	"19"	"19"	"3"	"614.3123"	"BASE"	"C23H46N6O13"	"NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O"
"CHEMBL1200475"	"DAUNORUBICIN CITRATE"	"DAUNORUBICIN CITRATE|DAUNORUBICIN CITRATE LIPOSOME|DAUNORUBICIN LIPOSOMAL|DAUNOXOME"	"Small molecule"	"4"	"719.65"	""	""	"1.03"	"185.84"	"11"	"5"	"2"	"4"	"N"	"0.31"	"8.00"	"9.09"	"1.34"	"0.91"	"2"	"MOL"	"0"	"38"	"11"	"6"	"3"	"527.1791"	"BASE"	"C33H37NO17"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.O=C(O)CC(O)(CC(=O)O)C(=O)O"
"CHEMBL167731"	"PIXANTRONE"	"BBR 2778|BBR-2778|PIXANTRONE"	"Small molecule"	"4"	"325.37"	"3"	"24"	"0.60"	"123.13"	"7"	"4"	"0"	"6"	"N"	"0.52"	"None"	"9.52"	"0.35"	"-3.24"	"2"	"MOL"	"0"	"24"	"7"	"6"	"1"	"325.1539"	"BASE"	"C17H19N5O2"	"NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O"
"CHEMBL370143"	"PAROMOMYCIN"	"AMINOSIDIN|ANTIBIOTIC 503-3|ANTIBIOTIC SF 767B|ANTIBIOTIC SF-767B|Aminosidine|CATENULIN|CRESTOMYCIN|ESTOMYCIN|GABROMYCIN|HYDROXYMYCIN|MONOMYCIN A|Monomycin|NEOMYCIN E|PAROMOMYCIN|PAROMOMYCIN I|PAUCIMYCIN|QUINTOMYCIN C|R 400|R-400"	"Small molecule"	"4"	"615.63"	"50"	"327"	"-8.86"	"347.32"	"19"	"13"	"3"	"9"	"N"	"0.11"	"12.15"	"9.59"	"-8.31"	"-13.96"	"0"	"MOL"	"0"	"42"	"19"	"18"	"3"	"615.2963"	"BASE"	"C23H45N5O14"	"NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O"
"CHEMBL453514"	"SPIRAMYCIN"	"ACETYLSPIRAMYCIN|IL 5902|IL-5902|NSC-55926|NSC-64393|NSC-758472|ROVAMICINA|ROVAMYCINE|ROVAMYCINE 250|RP 5337|RP-5337|Rovamycin|SELECTOMYCIN|SPIRAMYCIN|Spiramycin I"	"Small molecule"	"4"	"843.06"	"37"	"136"	"2.33"	"195.38"	"16"	"4"	"2"	"11"	"N"	"0.17"	"12.53"	"9.26"	"2.50"	"0.02"	"0"	"MOL"	"0"	"59"	"16"	"4"	"2"	"842.5140"	"BASE"	"C43H74N2O14"	"CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O"
"CHEMBL264241"	"ANIDULAFUNGIN"	"ANIDULAFUNGIN|D-70013|D70013|ECALTA|Eraxis|LY-303366|LY303366|V-ECHINOCANDIN|VER-002|VER002"	"Small molecule"	"4"	"1140.25"	"90"	"1954"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1139.5063"	"None"	"C58H73N7O17"	"CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1"
"CHEMBL1399"	"ANASTROZOLE"	"ANASTROZOLE|Arimidex|ICI D1033|ICI-D1033|NASTROSA|NSC-719344|NSC-759855|RVG-106400|ZD-1033|ZD1033"	"Small molecule"	"4"	"293.37"	"131"	"997"	"2.93"	"78.29"	"5"	"0"	"0"	"4"	"N"	"0.87"	"None"	"2.00"	"3.03"	"3.03"	"2"	"MOL"	"0"	"22"	"5"	"0"	"0"	"293.1640"	"NEUTRAL"	"C17H19N5"	"CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1"
"CHEMBL3989407"	"QUARFLOXIN"	"CX-3543|ITARNAFLOXIN|QUARFLOXIN"	"Small molecule"	"2"	"604.69"	"1"	"1"	"5.39"	"92.59"	"8"	"1"	"2"	"6"	"N"	"0.27"	"None"	"8.68"	"3.48"	"2.18"	"5"	"MOL"	"0"	"45"	"9"	"1"	"2"	"604.2598"	"BASE"	"C35H33FN6O3"	"CN1CCC[C@H]1CCNC(=O)c1cn2c3c(c(N4CCC(c5cnccn5)C4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2"
"CHEMBL178"	"DAUNORUBICIN"	"Cerubidine|DAUNOMYCIN|DAUNORUBICIN|DAUNOXOME|Daunoxome|EPIRUBICIN HYDROCHLORIDE IMPURITY, DAUNORUBICIN-|FI 6339|FI-6339|NSC-83142|RP 13057|RP-13057|VALRUBICIN IMPURITY, DAUNORUBICIN"	"Small molecule"	"4"	"527.53"	"268"	"1955"	"1.03"	"185.84"	"11"	"5"	"2"	"4"	"N"	"0.31"	"8.00"	"9.09"	"1.34"	"0.91"	"2"	"MOL"	"0"	"38"	"11"	"6"	"3"	"527.1791"	"BASE"	"C27H29NO10"	"COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"
"CHEMBL437765"	"RIFAMYCIN"	"CB-01-11|M-14|RIFAMICINE SV|RIFAMYCIN|RIFOMYCIN|RIFOMYCIN SV|Rifamycin Sv"	"Small molecule"	"4"	"697.78"	"48"	"139"	"4.75"	"201.31"	"12"	"6"	"3"	"2"	"N"	"0.14"	"7.09"	"None"	"4.17"	"3.68"	"2"	"MOL"	"0"	"50"	"13"	"6"	"3"	"697.3098"	"NEUTRAL"	"C37H47NO12"	"CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"
"CHEMBL481"	"IRINOTECAN"	"BIOTECAN|Camptosar|IRINOTECAN|Irinotecan|NSC-728073"	"Small molecule"	"4"	"586.69"	"199"	"1210"	"4.09"	"114.20"	"9"	"1"	"1"	"4"	"N"	"0.36"	"11.71"	"9.47"	"2.78"	"0.72"	"3"	"MOL"	"0"	"43"	"10"	"1"	"1"	"586.2791"	"BASE"	"C33H38N4O6"	"CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"
"CHEMBL1082"	"AMOXICILLIN"	"AMIX 125|AMIX 250|AMIX 500|AMOPEN|AMORAM|AMOXICILLIN|AMOXICILLIN (ANHYDROUS)|AMOXICILLIN (AS TRIHYDRATE)|AMOXICILLIN ANHYDROUS|AMOXICILLIN HYDRATE|AMOXICILLIN PEDIATRIC|AMOXICILLIN TRIHYDRATE|AMOXICILLINE|AMOXICILLINUM TRIHYDRICUM|AMOXIDENT 250|AMOXIDENT 500|AMOXIL FIZTAB|AMOXIL SF|AMOXYCILLIN|AMOXYKE|AMOXYMED|AMRIT|ATOKSILIN|Amoxi-Inject|Amoxi-Tabs|Amoxicilline|Amoxil|Amoxycillin|Aquacil|BRL 2333|BRL-2333|Biomox|DAMOXY|DEDOXIL|DEMOKSIL|Dispermox|FLEMOXIN SOLUTAB|GALENAMOX|LARGOPEN|Larotid|MOKSILIN|MOXATAG|NSC-277174|POLYMOX|PROMOXIL|REMOXIL|RESPILLIN|Robamox|Sumox|TOPRAMOXIN|Trimox|UTIMOX|Vetremox|WYMOX|ZOXYCIL 250|ZOXYCIL 500"	"Small molecule"	"4"	"365.41"	"333"	"3811"	"0.02"	"132.96"	"6"	"4"	"0"	"4"	"N"	"0.55"	"3.23"	"7.22"	"-2.31"	"-2.67"	"1"	"MOL"	"0"	"25"	"8"	"5"	"0"	"365.1045"	"ACID"	"C16H19N3O5S"	"CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O"
"CHEMBL1440"	"TETRACYCLINE"	"ACHROMYCIN V|Achromycin|Cyclopar|E701|ECONOMYCIN|Liquamycin|NSC-108579|PANMYCIN|SUPRAMYCIN|SUSTAMYCIN|TETRABID ORGANON|TETRACYCLINE|Tetracycline|Tetracyn|Vetquamycin"	"Small molecule"	"4"	"444.44"	"338"	"5129"	"-0.21"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.34"	"2.91"	"8.81"	"-3.47"	"-3.70"	"1"	"MOL"	"0"	"32"	"10"	"7"	"1"	"444.1533"	"ZWITTERION"	"C22H24N2O8"	"CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12"
"CHEMBL469912"	"PUROMYCIN"	"3123-L|3123L|CL 13,900|CL-13900|GNF-PF-2016|P-638|PUROMYCIN|TCMDC-123493"	"Small molecule"	"0"	"471.52"	"169"	"481"	"-0.79"	"160.88"	"11"	"4"	"1"	"8"	"N"	"0.33"	"12.35"	"8.03"	"-0.30"	"-1.02"	"3"	"MOL"	"0"	"34"	"12"	"5"	"1"	"471.2230"	"NEUTRAL"	"C22H29N7O5"	"COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c(N(C)C)ncnc43)[C@@H]2O)cc1"
"CHEMBL298359"	"MITOMYCIN A"	"6-METHOXY ANALOG OF MITOMYCIN C|MITOMYCIN A|NSC-75986"	"Small molecule"	"3"	"349.34"	"26"	"103"	"-0.96"	"130.10"	"8"	"2"	"0"	"4"	"N"	"0.49"	"None"	"5.60"	"-0.30"	"-0.30"	"0"	"MOL"	"0"	"25"	"9"	"3"	"0"	"349.1274"	"NEUTRAL"	"C16H19N3O6"	"COC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21"
"CHEMBL1257070"	"FAROPENEM MEDOXOMIL"	"A-0026|A0026|BAY-56-6854|FAROPENEM DALOXATE|FAROPENEM MEDOXOMIL|FROPENEM DALOXATE|SUN-A0026"	"Small molecule"	"3"	"397.41"	"9"	"89"	"0.89"	"119.42"	"9"	"1"	"0"	"5"	"N"	"0.57"	"None"	"None"	"0.23"	"0.23"	"1"	"MOL"	"0"	"27"	"9"	"1"	"0"	"397.0831"	"NEUTRAL"	"C17H19NO8S"	"Cc1oc(=O)oc1COC(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12"
"CHEMBL68117"	"VOSAROXIN"	"AG-7352|SNS-595|SPC-595|VORELOXIN|VOSAROXIN"	"Small molecule"	"3"	"401.45"	"6"	"6"	"0.96"	"109.58"	"9"	"2"	"0"	"5"	"N"	"0.65"	"4.87"	"8.80"	"-0.43"	"-0.44"	"3"	"MOL"	"0"	"28"	"9"	"2"	"0"	"401.1158"	"ZWITTERION"	"C18H19N5O4S"	"CN[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1OC"
"CHEMBL499808"	"CASPOFUNGIN"	"CANCIDAS|CASPOFUNGIN|CASPOFUNGIN ACETATE|L-743,872|L-743872|MK-991"	"Small molecule"	"4"	"1093.33"	"127"	"3324"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1092.6431"	"None"	"C52H88N10O15"	"CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O"
"CHEMBL2106418"	"DOXYCYCLINE FOSFATEX"	"AB-08|AB08|DMSC|DOXYCYCLINE FOSFATEX"	"Small molecule"	"2"	"786.34"	""	""	"-0.35"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.33"	"2.92"	"7.46"	"-3.29"	"-3.57"	"1"	"MOL"	"0"	"32"	"10"	"7"	"1"	"444.1533"	"ACID"	"C22H27N2NaO20P4"	"C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.O=P(=O)O.O=P(=O)O.O=P(=O)O.O=P(=O)[O-].[Na+]"
"CHEMBL3989740"	"DOXYCYCLINE HYCLATE"	"ACTICLATE|ACTICLATE CAP|AZUDOXAT|Alodox|Atridox|CLINOFUG|CYCLODOX|DEMIX 100|DEMIX 50|DIOCIMEX|DORYX MPC|DOXATET|DOXICRISOL|DOXY 100|DOXY 200|DOXY-LEMMON|DOXYCHEL HYCLATE|DOXYCYCLINE HYCLATE|DOXYCYCLINE HYDROCHLORIDE HEMIETHANOLATE HEMIHYDRATE|DOXYCYCLINI HYCLAS|DOXYLAR|DOXYPREX|DURADOXAL|Doryx|Doxy|Doxy-Caps|GRANUDOXY|LYMEPAK|MESPAFIN|MONODOKS|NORDOX|NSC-741421|Periostat|RAMYSIS|RETENS|RONAXAN|SPANOR|TETRACLEAN|TETRADOX|UNACIL|VIBRA-TABS|VIBRAMYCIN 50|VIBRAMYCIN ACNE PACK|VIBRAMYCIN-D|VIBRAVEINEUSE|VIBRAVENOS|VIBROX|Vibramycin|Vibramycin Hyclate|ZADORIN"	"Small molecule"	"4"	"1025.89"	"1"	"1"	"-0.35"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.33"	"2.92"	"7.46"	"-3.29"	"-3.57"	"1"	"MOL"	"0"	"32"	"10"	"7"	"1"	"444.1533"	"ACID"	"C46H58Cl2N4O18"	"CCO.C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl.Cl.O"
"CHEMBL576981"	"TEBIPENEM"	"LJC-11036|TEBIPENEM"	"Small molecule"	"0"	"383.50"	"8"	"33"	"0.66"	"93.44"	"7"	"2"	"0"	"4"	"N"	"0.69"	"3.22"	"6.27"	"-2.10"	"-3.17"	"0"	"MOL"	"0"	"25"	"7"	"2"	"0"	"383.0973"	"ACID"	"C16H21N3O4S2"	"C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3CN(C4=NCCS4)C3)[C@H](C)[C@H]12"
"CHEMBL29"	"BENZYLPENICILLIN"	"BENZYL PENICILLIN|BENZYLPENICILLIN|BENZYLPENICILLIN |Benzylpenicillin|Bicillin|CRYSTAPEN G|J01CE01|NSC-193396|PENICILLIN G|Penicillin G|Penicillin-2|Permapen|Pfizerpen-AS"	"Small molecule"	"4"	"334.40"	"351"	"3837"	"0.86"	"86.71"	"4"	"2"	"0"	"4"	"N"	"0.80"	"3.53"	"None"	"1.08"	"-2.29"	"1"	"MOL"	"0"	"23"	"6"	"2"	"0"	"334.0987"	"ACID"	"C16H18N2O4S"	"CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O"
"CHEMBL3989433"	"TROSPECTOMYCIN SULFATE"	"TROSPECTOMYCIN SULFATE|TROSPECTOMYCIN SULPHATE|U-63,366F|U-63366F"	"Small molecule"	"0"	"562.59"	""	""	"-1.76"	"129.51"	"9"	"5"	"0"	"5"	"N"	"0.38"	"8.66"	"9.17"	"-0.79"	"-1.68"	"0"	"MOL"	"0"	"26"	"9"	"5"	"0"	"374.2053"	"BASE"	"C17H42N2O16S"	"CCCC[C@@H]1CC(=O)[C@]2(O)O[C@@H]3[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@H]3O[C@@H]2O1.O.O.O.O.O.O=S(=O)(O)O"
"CHEMBL1614655"	"TROSPECTOMYCIN"	"TROSPECTINOMYCIN|TROSPECTOMYCIN|U-63,366|U-63366"	"Small molecule"	"0"	"374.43"	"4"	"25"	"-1.76"	"129.51"	"9"	"5"	"0"	"5"	"N"	"0.38"	"8.66"	"9.17"	"-0.79"	"-1.68"	"0"	"MOL"	"0"	"26"	"9"	"5"	"0"	"374.2053"	"BASE"	"C17H30N2O7"	"CCCC[C@@H]1CC(=O)[C@]2(O)O[C@@H]3[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@H]3O[C@@H]2O1"
"CHEMBL1908305"	"SULOPENEM"	"CP-70,429|CP-70429|SULOPENEM"	"Small molecule"	"3"	"349.46"	"43"	"167"	"0.41"	"94.91"	"6"	"2"	"0"	"4"	"N"	"0.71"	"3.65"	"None"	"-1.32"	"-4.65"	"0"	"MOL"	"0"	"21"	"6"	"2"	"0"	"349.0112"	"ACID"	"C12H15NO5S3"	"C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CC[S@@+]([O-])C3)S[C@H]12"
"CHEMBL3989471"	"SISOMICIN SULFATE"	"NSC-757315|SCH 13475 SULFATE|SCH 13475 SULPHATE|SISOMICIN SULFATE|SISOMICIN SULPHATE|SISSOMICIN|SISSOMICIN SULFATE|Siseptin"	"Small molecule"	"0"	"1385.46"	"2"	"4"	"-3.85"	"213.72"	"12"	"8"	"2"	"6"	"N"	"0.20"	"12.55"	"9.59"	"-4.32"	"-11.46"	"0"	"MOL"	"0"	"31"	"12"	"12"	"2"	"447.2693"	"BASE"	"C38H84N10O34S5"	"CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O"
"CHEMBL3544978"	"ZOLIFLODACIN"	"AZD-0914|AZD0914|ETX-0914|ETX0914|ZOLIFLODACIN"	"Small molecule"	"3"	"487.44"	"7"	"25"	"1.20"	"143.31"	"9"	"2"	"0"	"1"	"N"	"0.57"	"7.31"	"None"	"1.51"	"1.17"	"2"	"MOL"	"0"	"35"	"12"	"2"	"1"	"487.1503"	"NEUTRAL"	"C22H22FN5O7"	"C[C@@H]1O[C@H](C)CN2c3c(cc4c(N5C(=O)OC[C@@H]5C)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]12"
"CHEMBL1614658"	"CARUMONAM"	"CARUMONAM"	"Small molecule"	"0"	"466.41"	"8"	"96"	"-2.88"	"253.90"	"12"	"5"	"1"	"9"	"N"	"0.11"	"-2.09"	"3.90"	"-4.94"	"-8.09"	"1"	"MOL"	"0"	"30"	"16"	"7"	"2"	"466.0213"	"ACID"	"C12H14N6O10S2"	"NC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\OCC(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O"
"CHEMBL1191"	"SULFAMETHIZOLE"	"MICROSUL|Methazol|NSC-757327|PROKLAR|SULFAMETHIZOLE|SULPHAMETHIZOLE|Sulfamethizole|Sulphamethylthiadiazole|Tetracid|Thiosulfil|UROLUCOSIL"	"Small molecule"	"4"	"270.34"	"131"	"369"	"1.23"	"97.97"	"6"	"2"	"0"	"3"	"N"	"0.82"	"6.71"	"1.95"	"0.21"	"-0.36"	"2"	"MOL"	"0"	"17"	"6"	"3"	"0"	"270.0245"	"NEUTRAL"	"C9H10N4O2S2"	"Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1"
"CHEMBL562"	"GRISEOFULVIN"	"FULCIN|FULCIN 125|FULCIN 500|FULSOVIN|FULVICIN P/G|FULVICIN P/G 165|FULVICIN P/G 330|Fulvicin|Fulvicin-P/G|Fulvicin-U/F|GRISACTIN ULTRA|GRISACTIN V|GRISEOFULVIN|GRISEOFULVIN MICROSIZE|GRISEOFULVIN PERMEABILITY DIAMETER|GRISEOFULVIN, MICROCRYSTALLINE|GRISEOFULVIN, MICROSIZE|GRISEOFULVIN, ULTRAMICROCRYSTALLINE|GRISEOFULVIN, ULTRAMICROSIZE|GRISEOFULVIN,MICROSIZE|GRISEOFULVIN,ULTRAMICROSIZE|GRISEOFULVINUM|GRISOL AF|Grifulvin|Grifulvin V|Gris-PEG|Grisactin|Griseofulvin|Grivate|NSC-34533|NSC-755822|ULTRAGRIS-165|ULTRAGRIS-330"	"Small molecule"	"4"	"352.77"	"234"	"2901"	"2.81"	"71.06"	"6"	"0"	"0"	"3"	"N"	"0.83"	"None"	"None"	"2.17"	"2.17"	"1"	"MOL"	"0"	"24"	"6"	"0"	"0"	"352.0714"	"NEUTRAL"	"C17H17ClO6"	"COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O"
"CHEMBL1200510"	"ERYTHROMYCIN STEARATE"	"ABBOTICINE|Bristamycin|ERYPAR|ERYTHROCIN 500|ERYTHROCIN ACNE PACK|ERYTHROCIN STEARATE|ERYTHROMYCIN STEARATE|ERYTHROMYCINI STEARAS|ETHRIL 250|ETHRIL 500|Erythrocin|NSC-756747|PFIZER-E|SK-ERYTHROMYCIN|WYAMYCIN S"	"Small molecule"	"4"	"1018.42"	"3"	"5"	"1.79"	"193.91"	"14"	"5"	"2"	"7"	"N"	"0.24"	"12.45"	"8.38"	"2.60"	"1.57"	"0"	"MOL"	"0"	"51"	"14"	"5"	"2"	"733.4612"	"NEUTRAL"	"C55H103NO15"	"CCCCCCCCCCCCCCCCCC(=O)O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL3545060"	"ERYTHROMYCIN GLUCEPTATE"	"ERYTHROMYCIN GLUCEPTATE|ERYTHROMYCIN GLUCOHEPTONATE|ILOTYCIN GLUCEPTATE|Ilotycin"	"Small molecule"	"4"	"960.12"	""	""	"1.79"	"193.91"	"14"	"5"	"2"	"7"	"N"	"0.24"	"12.45"	"8.38"	"2.60"	"1.57"	"0"	"MOL"	"0"	"51"	"14"	"5"	"2"	"733.4612"	"NEUTRAL"	"C44H81NO21"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO"
"CHEMBL532"	"ERYTHROMYCIN"	"A/T/S|AKNE-MYCIN|AKNEMYCIN PLUS|Benzamycin|Bristamycin|C-SOLVE-2|E-BASE|E-Base|E-GLADES|E-Glades|E-Mycin|E-SOLVE 2|E-mycin|ERY-TAB|ERYACNE 2|ERYACNE 4|ERYC 125|ERYC SPRINKLES|ERYCETTE|ERYMAX SPRINKLE|ERYTHRA-DERM|ERYTHRO-STATIN|ERYTHROMYCIN|ERYTHROMYCIN ESTOLATE IMPURITY, FREE ERYTHROMYCIN-|Emgel|Eryc|Eryderm|Erygel|Erymax|Erypar|Erythro 200|Erythro-Statin|Erythrocin|Erythromycin|Gallimycin|ISOTREXIN|Ilotycin|J01FA01|KERYMAX|NSC-55929|OFTALMOLOSA CUSI ERITROMICINA|PAEDIATHROCIN|PCE|Pfizer-E|R-P MYCIN|RETCIN|ROBIMYCIN|ROMMIX 250 EC|ROMMIX 500 EC|SANSAC|STATICIN|STIEMYCIN|T-STAT|TILORYTH|Wyamycin|ZINERYT"	"Small molecule"	"4"	"733.94"	"313"	"4268"	"1.79"	"193.91"	"14"	"5"	"2"	"7"	"N"	"0.24"	"12.45"	"8.38"	"2.60"	"1.57"	"0"	"MOL"	"0"	"51"	"14"	"5"	"2"	"733.4612"	"NEUTRAL"	"C37H67NO13"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"
"CHEMBL1230227"	"SABARUBICIN"	"SABARUBICIN"	"Small molecule"	"2"	"643.64"	"2"	"6"	"-0.13"	"235.53"	"14"	"7"	"3"	"6"	"N"	"0.17"	"8.04"	"10.06"	"0.88"	"0.33"	"2"	"MOL"	"0"	"46"	"14"	"8"	"3"	"643.2265"	"BASE"	"C32H37NO13"	"C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3C[C@](O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3ccccc3C5=O)O[C@H]2C)C[C@H](N)[C@@H]1O"
"CHEMBL58"	"MITOXANTRONE"	"MISOSTOL|MITOXANTRONE|MITOXANTRONE HYDROCHLORIDE|NSC-279836|Novantrone"	"Small molecule"	"4"	"444.49"	"338"	"1729"	"-0.14"	"163.18"	"10"	"8"	"1"	"12"	"N"	"0.14"	"8.21"	"9.22"	"0.75"	"-1.09"	"2"	"MOL"	"0"	"32"	"10"	"8"	"1"	"444.2009"	"BASE"	"C22H28N4O6"	"O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21"
"CHEMBL19687"	"STALLIMYCIN HYDROCHLORIDE"	"DISTAMYCIN A HYDROCHLORIDE|F.I. 6426|FI-6426|HERPERA|Herperal|NSC-150528|STALLIMYCIN HCL|STALLIMYCIN HYDROCHLORIDE"	"Small molecule"	"0"	"517.98"	"2"	"2"	"0.83"	"181.06"	"8"	"6"	"1"	"10"	"N"	"0.14"	"None"	"12.55"	"-1.08"	"-3.35"	"3"	"MOL"	"0"	"35"	"13"	"7"	"2"	"481.2186"	"BASE"	"C22H28ClN9O4"	"Cl.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCCC(=N)N"
"CHEMBL2104870"	"PUROMYCIN HYDROCHLORIDE"	"CL 16,536|CL-16536|NSC-3055|PUROMYCIN DIHYDROCHLORIDE|PUROMYCIN HYDROCHLORIDE"	"Small molecule"	"0"	"544.44"	"5"	"10"	"-0.79"	"160.88"	"11"	"4"	"1"	"8"	"N"	"0.33"	"12.35"	"8.03"	"-0.30"	"-1.02"	"3"	"MOL"	"0"	"34"	"12"	"5"	"1"	"471.2230"	"NEUTRAL"	"C22H31Cl2N7O5"	"COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c(N(C)C)ncnc43)[C@@H]2O)cc1.Cl.Cl"
"CHEMBL595"	"PIOGLITAZONE"	"AD-4833|Actos|Duetact|GLUSTIN|PIOGLITAZONE|U-72107|ZACTOS"	"Small molecule"	"4"	"356.45"	"214"	"1365"	"3.16"	"68.29"	"5"	"1"	"0"	"7"	"N"	"0.83"	"6.66"	"5.60"	"3.33"	"2.74"	"2"	"MOL"	"0"	"25"	"5"	"1"	"0"	"356.1195"	"NEUTRAL"	"C19H20N2O3S"	"CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1"
"CHEMBL577736"	"TYROTHRICIN"	"Bactratycin|TYROTHRICIN"	"Protein"	"4"	"1228.46"	"5"	"9"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"None"	"MOL"	"0"	"None"	"None"	"None"	"None"	"1227.6328"	"None"	"C65H85N11O13"	"CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O"
"CHEMBL1200656"	"NATAMYCIN"	"ANTIBIOTIC A-5283|CL 12,625|CL-12625|DELVOCID|E-235|E235|INS NO.235|INS-235|MYCOPHYT|MYPROZINE|Myprozine|NATAMYCIN|NSC-759167|Natacyn|PIMAFUCIN|PIMARACIN|PIMARICIN|Pimaricin|SYNOGIL|TENNECETIN"	"Small molecule"	"4"	"665.73"	"137"	"388"	"0.12"	"230.99"	"13"	"7"	"3"	"3"	"N"	"0.16"	"3.69"	"9.11"	"-1.69"	"-1.70"	"0"	"MOL"	"0"	"47"	"14"	"8"	"3"	"665.3047"	"ZWITTERION"	"C33H47NO13"	"C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O"
"CHEMBL3989525"	"AZIDAMFENICOL"	"AZIDAMFENICOL|AZIDOAMFENICOL|AZIDOAMPHENICOL|POSIFENICOL"	"Small molecule"	"0"	"295.25"	""	""	"0.42"	"161.46"	"6"	"3"	"0"	"7"	"N"	"0.22"	"11.94"	"None"	"-0.40"	"-0.51"	"1"	"MOL"	"0"	"21"	"10"	"3"	"0"	"295.0917"	"NEUTRAL"	"C11H13N5O5"	"[N-]=[N+]=NCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1"
"CHEMBL1232510"	"SOLITHROMYCIN"	"CEM 101|CEM-101|OP 1068|OP-1068|SOLITHROMYCIN"	"Small molecule"	"3"	"845.02"	"8"	"22"	"4.60"	"197.87"	"15"	"2"	"2"	"11"	"N"	"0.14"	"12.83"	"7.68"	"5.76"	"5.30"	"2"	"MOL"	"0"	"60"	"16"	"3"	"2"	"844.4746"	"NEUTRAL"	"C43H65FN6O10"	"CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)O[C@]12C"
"CHEMBL550961"	"DIAZEPINOMICIN"	"AMO-01|BU-4664L|DIAZEPINOMICIN|ECO-4601|TLN-4601"	"Small molecule"	"2"	"462.59"	"9"	"17"	"6.93"	"93.03"	"5"	"4"	"1"	"8"	"N"	"0.19"	"8.88"	"0.73"	"7.47"	"7.45"	"2"	"MOL"	"0"	"34"	"6"	"4"	"1"	"462.2519"	"NEUTRAL"	"C28H34N2O4"	"CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1C(=O)c2cccc(O)c2Nc2c(O)cc(O)cc21"
"CHEMBL1433"	"DOXYCYCLINE ANHYDROUS"	"ANHYDROUS DOXYCYCLINE|DOXYCYCLINE (ANHYDROUS)"	"Small molecule"	"4"	"444.44"	"251"	"2108"	"-0.35"	"181.62"	"9"	"6"	"1"	"2"	"N"	"0.33"	"2.92"	"7.46"	"-3.29"	"-3.57"	"1"	"MOL"	"0"	"32"	"10"	"7"	"1"	"444.1533"	"ACID"	"C22H24N2O8"	"C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21"
"CHEMBL3317856"	"GEPOTIDACIN"	"GEPOTIDACIN|GSK-2140944|GSK2140944"	"Small molecule"	"3"	"448.53"	"10"	"34"	"1.09"	"94.28"	"9"	"1"	"0"	"5"	"N"	"0.62"	"None"	"8.62"	"0.16"	"-1.09"	"3"	"MOL"	"0"	"33"	"9"	"1"	"0"	"448.2223"	"BASE"	"C24H28N6O3"	"O=c1ccc2ncc(=O)n3c2n1C[C@H]3CN1CCC(NCc2cc3c(cn2)OCCC3)CC1"
"CHEMBL1237046"	"ROLITETRACYCLINE"	"NSC-759177|ROLITETRACYCLINE|SO 15,659|SQ 15,659|SQ-15659|SYNTERIN|Syntetrin"	"Small molecule"	"0"	"527.57"	"14"	"47"	"0.47"	"170.87"	"10"	"6"	"2"	"4"	"N"	"0.30"	"2.91"	"8.18"	"-2.81"	"-2.93"	"1"	"MOL"	"0"	"38"	"11"	"6"	"3"	"527.2268"	"ACID"	"C27H33N3O8"	"CN(C)[C@@H]1C(O)=C(C(=O)NCN2CCCC2)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12"
"CHEMBL1607480"	"OXYTETRACYCLINE HYDROCHLORIDE"	"OXY-KESSO-TETRA|OXYTETRACYCLINE HCL|OXYTETRACYCLINE HYDROCHLORIDE|OXYTETRACYCLINI HYDROCHLORIDUM|Terramycin"	"Small molecule"	"4"	"496.90"	"38"	"78"	"-1.24"	"201.85"	"10"	"7"	"1"	"2"	"N"	"0.26"	"2.84"	"7.38"	"-4.50"	"-4.82"	"1"	"MOL"	"0"	"33"	"11"	"8"	"2"	"460.1482"	"ACID"	"C22H25ClN2O9"	"CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.Cl"
"CHEMBL1689772"	"OMADACYCLINE"	"AMADACYCLINE|BAY 73-6944|OMADACYCLINE|PTK 0796"	"Small molecule"	"4"	"556.66"	"12"	"71"	"1.32"	"176.66"	"10"	"6"	"2"	"6"	"N"	"0.28"	"2.85"	"10.49"	"-2.18"	"-2.25"	"1"	"MOL"	"0"	"40"	"11"	"7"	"3"	"556.2897"	"ZWITTERION"	"C29H40N4O7"	"CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O"