smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)NC(=O)C(=CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000408536603	375881462	/nfs/dbraw/zinc/88/14/62/375881462.db2.gz	WTTVHNRZLMXNIF-RUYJGKKWSA-N	0	1	334.288	-0.190	40	10		EBCBMN
CN(CCO)CCCn1c2c(n[n+]1[O-])C(=O)c1ccccc1C2=O	ZINC000066088748	376228285	/nfs/dbraw/zinc/22/82/85/376228285.db2.gz	QTJAGFWDTWNZTJ-UHFFFAOYSA-N	0	1	330.344	-0.394	40	10		EBCBMN
NC(=O)C1CCN(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)CC1	ZINC000000892909	283282522	/nfs/dbraw/zinc/28/25/22/283282522.db2.gz	QDZCWFQZXXKLQT-FMIVXFBMSA-N	0	1	346.343	-0.061	40	10		EBCBMN
CC(CO)(CO)NC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O	ZINC000100556672	219102158	/nfs/dbraw/zinc/10/21/58/219102158.db2.gz	ULRXHLUNIZXFAI-GHXNOFRVSA-N	0	1	333.344	-0.518	40	10		EBCBMN
CN1C(=O)NC(=O)C(=CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000408536595	375882673	/nfs/dbraw/zinc/88/26/73/375882673.db2.gz	WTTVHNRZLMXNIF-CDCCAWJDSA-N	0	1	334.288	-0.190	40	10		EBCBMN
Cn1c2ccc(NC=C3C(=O)NC(=O)N(C)C3=O)cc2n(C)c1=O	ZINC000408532437	375879865	/nfs/dbraw/zinc/87/98/65/375879865.db2.gz	MQMNGQPIJJOREX-VQHVLOKHSA-N	0	1	329.316	-0.119	40	10		EBCBMN
CN(CCO)CCCn1c2c(n[n+]1[O-])C(=O)c1ccccc1C2=O	ZINC000408710516	375915733	/nfs/dbraw/zinc/91/57/33/375915733.db2.gz	QTJAGFWDTWNZTJ-UHFFFAOYSA-O	0	1	331.352	-0.180	40	10		EBCBMN
CCOC(=O)C(=O)NCc1ccc(C=C2C(=O)NC(=O)NC2=O)o1	ZINC000016682102	375997729	/nfs/dbraw/zinc/99/77/29/375997729.db2.gz	VMRMWMBGXOVOTP-UHFFFAOYSA-N	0	1	335.272	-0.792	40	10		EBCBMN
CN(C)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)NC(=O)NC1=O	ZINC000408534298	375879984	/nfs/dbraw/zinc/87/99/84/375879984.db2.gz	QFJIJEFKZKGIDY-UHFFFAOYSA-N	0	1	330.304	-0.004	40	10		EBCBMN