smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)c1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1	ZINC000005476782	181247843	/nfs/dbraw/zinc/24/78/43/181247843.db2.gz	OFDDDLGCZOAYCV-LULHVWEPSA-N	0	2	309.409	4.861	10	0		DJAELN
Cc1cc2c(Nc3cccc(C(=O)[O-])c3)cc[nH+]c2cc1Cl	ZINC000072237421	191080407	/nfs/dbraw/zinc/08/04/07/191080407.db2.gz	VWCUTODZSAWBJF-UHFFFAOYSA-N	0	2	312.756	4.638	10	0		DJAELN
CC[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1F	ZINC000180671527	337177015	/nfs/dbraw/zinc/17/70/15/337177015.db2.gz	LBXVJJPETSNCIO-YWZLYKJASA-N	0	2	323.415	4.813	10	0		DJAELN
CC[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1F	ZINC000180671563	337177183	/nfs/dbraw/zinc/17/71/83/337177183.db2.gz	LBXVJJPETSNCIO-QRWLVFNGSA-N	0	2	323.415	4.813	10	0		DJAELN
CC(C)(C)CC(C)(C)c1ccc(OCc2n[nH]c(=S)o2)cc1	ZINC000064871740	184305299	/nfs/dbraw/zinc/30/52/99/184305299.db2.gz	GUYKPAUZQWPAFR-UHFFFAOYSA-N	0	2	320.458	4.651	10	0		DJAELN
CC[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1F	ZINC000180671548	337177128	/nfs/dbraw/zinc/17/71/28/337177128.db2.gz	LBXVJJPETSNCIO-MGPUTAFESA-N	0	2	323.415	4.813	10	0		DJAELN
CC[C@@H](C)c1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1	ZINC000005476306	181248235	/nfs/dbraw/zinc/24/82/35/181248235.db2.gz	OFDDDLGCZOAYCV-KEQVLUGWSA-N	0	2	309.409	4.861	10	0		DJAELN
COc1ccc2sc(Nc3nc4ccccc4s3)nc2c1	ZINC000005122720	181205883	/nfs/dbraw/zinc/20/58/83/181205883.db2.gz	QNBZIHIHWKSLHH-UHFFFAOYSA-N	0	2	313.407	4.658	10	0		DJAELN
COc1cc(C)ccc1N[C@H](C)c1cccc(Br)c1	ZINC000037783048	182925386	/nfs/dbraw/zinc/92/53/86/182925386.db2.gz	PVYMXHSYXRHXMG-GFCCVEGCSA-N	0	2	320.230	4.939	10	0		DJAELN
Cc1cc(Sc2cc(Cl)ccc2C)c(C(=O)[O-])c(C)[nH+]1	ZINC000584634133	337377538	/nfs/dbraw/zinc/37/75/38/337377538.db2.gz	ZTAVZZSSZJFIIN-UHFFFAOYSA-N	0	2	307.802	4.510	10	0		DJAELN
CC[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1F	ZINC000180671584	337177025	/nfs/dbraw/zinc/17/70/25/337177025.db2.gz	LBXVJJPETSNCIO-FOIQADDNSA-N	0	2	323.415	4.813	10	0		DJAELN
O=C([O-])c1cc2cc(-c3ccccc3)[nH]c2c([NH2+]C2CCCC2)c1	ZINC000059101933	184134485	/nfs/dbraw/zinc/13/44/85/184134485.db2.gz	UEIUDHXBXDFVIK-UHFFFAOYSA-N	0	2	320.392	4.888	10	0		DJAELN
Cc1cc2c(Nc3ccc(C(=O)[O-])cc3)cc[nH+]c2cc1Cl	ZINC000072237418	191080281	/nfs/dbraw/zinc/08/02/81/191080281.db2.gz	ASJWLVCMTSAJFI-UHFFFAOYSA-N	0	2	312.756	4.638	10	0		DJAELN