smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCNC(=O)c1cccc(NC(=O)c2ccccc2)c1[N+](=O)[O-]	ZINC000005810330	204226149	/nfs/dbraw/zinc/22/61/49/204226149.db2.gz	GBAOSVRJJSWGIF-UHFFFAOYSA-N	0	3	356.382	2.139	1	5		FEBFHN
O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCCc1ccc(OC(F)(F)F)cc1)C2	ZINC000040860225	205083017	/nfs/dbraw/zinc/08/30/17/205083017.db2.gz	PKNYKECSJOQQDI-NSHDSACASA-N	0	3	372.303	2.283	1	5		FEBFHN
COCCNc1cc2c(cnc3cc(OCCOC)c(OC)cc32)c(N)n1	ZINC000045260265	205119426	/nfs/dbraw/zinc/11/94/26/205119426.db2.gz	AZABWVYKNQPYTM-UHFFFAOYSA-N	0	3	372.425	2.457	1	5		FEBFHN
O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1)C2	ZINC000044352666	208313252	/nfs/dbraw/zinc/31/32/52/208313252.db2.gz	OWKPAFONRAJFPD-JTQLQIEISA-N	0	3	358.276	2.241	1	5		FEBFHN
Cn1c2ccccc2c2c1cc(CNC(CO)(CO)CO)c1ccccc21	ZINC000045227065	208326706	/nfs/dbraw/zinc/32/67/06/208326706.db2.gz	PVWVPBWNMSXKNT-UHFFFAOYSA-N	0	3	364.445	2.290	1	5		FEBFHN
CN(C)CCNC(=O)c1cccc2ncc(-c3ccc([N+](=O)[O-])cc3)nc21	ZINC000013586907	211040634	/nfs/dbraw/zinc/04/06/34/211040634.db2.gz	XKYFCUBPMYRCLN-UHFFFAOYSA-N	0	3	365.393	2.496	1	5		FEBFHN