smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(N)c1)C(=O)c1ccccc1C2=O	ZINC000085592701	291333694	/nfs/dbraw/zinc/33/36/94/291333694.db2.gz	WAVKSJFHYSUNQJ-MZOHPKPJSA-N	0	1	436.464	2.055	1	10	biogenic,in-vitro	IECFMN
CCCOCCn1c2cc(-c3ccc(OC)nc3)ncc2nc(NCCN(C)C)c1=O	ZINC000045244921	563126320	/nfs/dbraw/zinc/12/63/20/563126320.db2.gz	GVPJUOVLCBLQQT-UHFFFAOYSA-N	0	1	426.521	2.262	1	10		IECFMN
COC1=CC(=O)N(c2ccc3nc[nH]c3c2)[C@H]1c1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC000096172357	563195665	/nfs/dbraw/zinc/19/56/65/563195665.db2.gz	BUBCYTPLJASONC-QFIPXVFZSA-N	0	1	438.509	2.416	1	10		IECFMN
Cn1cc(C(N)=O)c2c1-c1nc(NCc3ccc(N4CCN(C)CC4)cc3)ncc1CC2	ZINC000064503794	563153904	/nfs/dbraw/zinc/15/39/04/563153904.db2.gz	VBIZVJHNGIEVRC-UHFFFAOYSA-N	0	1	431.544	2.044	1	10		IECFMN
COC1=CC(=O)N(c2ccc3nc[nH]c3c2)[C@@H]1c1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC000096172356	563195680	/nfs/dbraw/zinc/19/56/80/563195680.db2.gz	BUBCYTPLJASONC-JOCHJYFZSA-N	0	1	438.509	2.416	1	10		IECFMN
COc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(OC)c1	ZINC000013764565	563005531	/nfs/dbraw/zinc/00/55/31/563005531.db2.gz	IPRRGOQYCLEODJ-UHFFFAOYSA-N	0	1	427.549	2.425	1	10		IECFMN
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc([O-])c(C[NH2+]C4CC4)c2cc1C3	ZINC000013649169	562998794	/nfs/dbraw/zinc/99/87/94/562998794.db2.gz	JHFYYUCYONDQQO-DEOSSOPVSA-N	0	1	433.464	2.037	1	10		IECFMN
C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccncc2)Oc2ccc(N(C)C)cc2C1=O	ZINC000061947901	563151433	/nfs/dbraw/zinc/15/14/33/563151433.db2.gz	VHHIAINGBKGYCV-IEGUWTFLSA-N	0	1	426.561	2.500	3	10		IECFMN