smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[NH2+]CCCOc1cc([O-])c2c(c1)C(=O)c1ccccc1C2=O	ZINC000072178915	203182623	/nfs/dbraw/zinc/18/26/23/203182623.db2.gz	IHBSROOWAWLUMY-UHFFFAOYSA-N	0	3	339.391	2.936	1	10		EFCFHN
CC(C)OCc1cc(C[NH+]2CCN(C)CC2)c([O-])c2ncccc12	ZINC000020439874	212129001	/nfs/dbraw/zinc/12/90/01/212129001.db2.gz	DJZCQWXUWVBXPE-UHFFFAOYSA-N	0	3	329.444	2.613	1	10		EFCFHN
COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c([O-])c3C[N+]1(C)CC2	ZINC000013484851	290981854	/nfs/dbraw/zinc/98/18/54/290981854.db2.gz	BGWQPJBRBKPLEO-BJQOMGFOSA-O	0	3	342.415	2.915	1	10	biogenic,in-vitro	EFCFHN
C[C@]12CCC[C@H]3[C@H]([NH3+])Cc4c5cc(O)c([O-])cc5n(c4[C@H]31)C(=O)C2	ZINC000027894466	202161481	/nfs/dbraw/zinc/16/14/81/202161481.db2.gz	LPODMCYVZWDRJJ-UXOLTFTNSA-N	0	3	326.396	2.870	1	10		EFCFHN
O=C1c2ccccc2-c2onc3ccc(NCCCN4CCNC4)c1c32	ZINC000072136445	203168367	/nfs/dbraw/zinc/16/83/67/203168367.db2.gz	FXAZMTYGRNMBDT-UHFFFAOYSA-N	0	3	348.406	2.704	1	10		EFCFHN
CN(C)CCNC(=O)c1cccc2cc3c(nc21)-c1ccccc1C3=O	ZINC000026170378	202140008	/nfs/dbraw/zinc/14/00/08/202140008.db2.gz	MBTIJGXSMFLPAV-UHFFFAOYSA-N	0	3	345.402	2.738	1	10		EFCFHN
CN(C)CCNC(=O)c1ccc(Cl)c2c(N)c3ccccc3nc12	ZINC000027525961	202156151	/nfs/dbraw/zinc/15/61/51/202156151.db2.gz	OTMHSPHOQLVJBM-UHFFFAOYSA-N	0	3	342.830	2.915	1	10		EFCFHN
Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)[O-])c3nc12	ZINC000005823187	717102909	/nfs/dbraw/zinc/10/29/09/717102909.db2.gz	KOOPTPZSWXUUGA-UHFFFAOYSA-N	0	3	338.411	2.583	1	10		EFCFHN
CC[NH2+]CCCOc1cc([O-])c2c(c1)C(=O)c1ccccc1C2=O	ZINC000072178614	216065713	/nfs/dbraw/zinc/06/57/13/216065713.db2.gz	QTYAYZAWGTXIHF-UHFFFAOYSA-N	0	3	325.364	2.546	1	10		EFCFHN