smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCC[C@@H](NC(=O)CNC=C1C(=O)N(C)C(=O)N(C)C1=O)C(=O)O	22242211	XICGFHQBMLTUAO-SECBINFHSA-N	340.336	-1.120	10	50	EACA	
[N-]=[N+]=NCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	200225950	ABBZTEUICIJBPU-WTPMCQDGSA-N	337.329	-1.854	10	50	EACA	
O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1	4098881	LDPLFHGGZNSKDS-FTBFGRRBSA-N	344.272	-1.340	10	50	EACA	endogenous,in-man
C[C@@H](O)C/[N+](O)=N/OCN(CO/N=[N+](\O)C[C@@H](C)O)[N+](=O)[O-]	225417031	UEFZEBZQSVXECA-HTQZYQBOSA-N	328.282	-1.272	10	50	EACA	
C[C@H](O)C/[N+](O)=N/OCN(CO/N=[N+](\O)C[C@@H](C)O)[N+](=O)[O-]	225416986	UEFZEBZQSVXECA-OCAPTIKFSA-N	328.282	-1.272	10	50	EACA	
O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1	4095564	GDVRUDXLQBVIKP-HQHREHCSSA-N	332.261	-2.240	10	50	EACA	biogenic,in-vitro
[N-]=[N+]=NCCOCCOCCO[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O	1501058420	ABBZTEUICIJBPU-NGDQXYMTSA-N	337.329	-1.854	10	50	EACA	
CCC[C@H](NC(=O)CNC=C1C(=O)N(C)C(=O)N(C)C1=O)C(=O)O	22242214	XICGFHQBMLTUAO-VIFPVBQESA-N	340.336	-1.120	10	50	EACA	
[N-]=[N+]=NCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	200225918	ABBZTEUICIJBPU-YBXAARCKSA-N	337.329	-1.854	10	50	EACA	
[N-]=[N+]=NCCOCCOCCO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O	200225887	ABBZTEUICIJBPU-UHFZAUJKSA-N	337.329	-1.854	10	50	EACA	
[N-]=[N+]=NCCOCCOCCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	1501058419	ABBZTEUICIJBPU-IIRVCBMXSA-N	337.329	-1.854	10	50	EACA	
O=C1NC(=O)C(=CNCCNC=C2C(=O)NC(=O)NC2=O)C(=O)N1	6191575	VWVNXQZIDPGTDK-UHFFFAOYSA-N	336.264	-3.335	10	50	EACA	
CN1C(=O)N=C(O)/C(=C/N[C@H]2[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O)C1=O	253487960	ULCSTDVDCYZFDI-QAXODFMYSA-N	331.281	-3.192	10	50	EACA	
[N-]=[N+]=NCCOCCOCCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	1501058417	ABBZTEUICIJBPU-DGORSVRFSA-N	337.329	-1.854	10	50	EACA	
O=C(O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1	6524392	LDPLFHGGZNSKDS-AOGLXQGOSA-N	344.272	-1.340	10	50	EACA	
[N-]=[N+]=NCCOCCOCCO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O	200225855	ABBZTEUICIJBPU-KKJSVHSVSA-N	337.329	-1.854	10	50	EACA	
CN1C(=O)N=C(O)/C(=C/N[C@H]2[C@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)C1=O	253487959	ULCSTDVDCYZFDI-OVFPDTMUSA-N	331.281	-3.192	10	50	EACA	
O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\NC(CO)(CO)CO	6557637	SWBNNASHQGCTBC-SDQBBNPISA-N	349.343	-1.546	10	50	EACA	
CC(=O)N[C@H]1[C@@H](OCCOCCN=[N+]=[N-])O[C@H](CO)[C@@H](O)[C@@H]1O	95099970	YIYBKMXLQSWSPH-OOCWMUITSA-N	334.329	-1.726	10	50	EACA	
NS(=O)(=O)c1ccc(CCNC=C2C(=O)NC(=O)NC2=O)cc1	6224576	COCHPQSUXMHTDB-UHFFFAOYSA-N	338.345	-1.284	10	50	EACA	
[N-]=[N+]=NCCOCCOCCO[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O	1501058418	ABBZTEUICIJBPU-HTFCKZLJSA-N	337.329	-1.854	10	50	EACA	
CN1C(=O)C(=C/C=C/[c-]2c(=O)n(C)c(=O)n(C)c2=O)C(=O)N(C)C1=O	685944752	VCGBVYZFGISYKK-AATRIKPKSA-N	347.307	-1.847	10	50	EACA	
CN1C(=O)N=C(O)/C(=C/N[C@@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1=O	253487958	ULCSTDVDCYZFDI-OBGCWUKUSA-N	331.281	-3.192	10	50	EACA	
CN1C(=O)N=C(O)/C(=C/N[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)C1=O	253487957	ULCSTDVDCYZFDI-KKCYUIIGSA-N	331.281	-3.192	10	50	EACA	
C[C@H](O)C/[N+](O)=N/OCN(CO/N=[N+](\O)C[C@H](C)O)[N+](=O)[O-]	225416944	UEFZEBZQSVXECA-YUMQZZPRSA-N	328.282	-1.272	10	50	EACA