smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@@H](C(=O)NO)N1CCCC1)C(C)(C)C	ZINC000013802386	210092450	/nfs/dbraw/zinc/09/24/50/210092450.db2.gz	YHQYCXXDVJZMED-QLFBSQMISA-N	0	3	384.521	0.895	1	30		GCEFHN
CC#CCn1c(=O)c2c(ccn2Cc2ncccn2)nc1N1CCC[C@@H](N)C1	ZINC000095605344	206217047	/nfs/dbraw/zinc/21/70/47/206217047.db2.gz	ODXFSPFKAZPSFD-OAHLLOKOSA-N	0	3	377.452	0.987	1	30		GCEFHN
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)CN1	ZINC000014948920	210132137	/nfs/dbraw/zinc/13/21/37/210132137.db2.gz	VLFPNEGRKDEGFL-QTZPLXLNSA-N	0	3	394.884	0.862	1	30		GCEFHN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]([NH3+])C[C@H]1C(=O)N[O-]	ZINC000028714510	207347482	/nfs/dbraw/zinc/34/74/82/207347482.db2.gz	PKROLNREIMHURQ-KKUMJFAQSA-N	0	3	392.456	0.556	1	30		GCEFHN
CCCCCCCC(=O)OCCSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC	ZINC000084654044	222320165	/nfs/dbraw/zinc/32/01/65/222320165.db2.gz	CBLRRJLZCXEOOU-KBPBESRZSA-N	0	3	392.518	0.601	1	30		GCEFHN
Cc1ncn(-c2ccc(CN3C[C@H](N)[C@H](C(=O)N4CCC[C@H]4C#N)C3)cc2)n1	ZINC000028955098	207351343	/nfs/dbraw/zinc/35/13/43/207351343.db2.gz	GKLKDWYNLKARAH-OTWHNJEPSA-N	0	3	379.468	0.849	1	30		GCEFHN