smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NO)c1cnc(N2CC[NH+]([C@H](/C=C/c3ccc(F)cc3)CO)CC2)nc1	ZINC000034635540	581102109	/nfs/dbraw/zinc/10/21/09/581102109.db2.gz	UOEXMKBLKQPTKA-ZNNBYXKUSA-N	1	2	387.415	0.931	1	30		GCEFLO
C=C[C@H]1O[C@@H](n2cc(I)c3c2nc[nH+]c3N)[C@H](O)[C@@H]1O	ZINC000013809463	209163682	/nfs/dbraw/zinc/16/36/82/209163682.db2.gz	PXCJRAZXTOLWHN-WOUKDFQISA-N	1	2	388.165	0.423	1	30		GCEFLO
C[NH+](C)CCN1CC(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O	ZINC000040953603	205075630	/nfs/dbraw/zinc/07/56/30/205075630.db2.gz	OYPFAQIQTLGFMO-LJQANCHMSA-N	1	2	385.445	0.325	1	30		GCEFLO
CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCC[NH+]1CCOCC1	ZINC000072323516	222225944	/nfs/dbraw/zinc/22/59/44/222225944.db2.gz	SWAZJXVVIZFUFP-UHFFFAOYSA-N	1	2	385.424	0.533	2	30		GCEFLO
O=C(NO)c1cnc(N2CC[NH+]([C@@H](/C=C/c3ccc(F)cc3)CO)CC2)nc1	ZINC000038238840	581102152	/nfs/dbraw/zinc/10/21/52/581102152.db2.gz	UOEXMKBLKQPTKA-ZVVFDCPKSA-N	1	2	387.415	0.931	1	30		GCEFLO
O=C(CCS(=O)(=O)N1CCC(Oc2ccc(-n3cc[nH+]c3)cc2)CC1)NO	ZINC000028527790	207343225	/nfs/dbraw/zinc/34/32/25/207343225.db2.gz	VZNKSEFCLYNXRA-UHFFFAOYSA-N	1	2	394.453	0.941	1	30		GCEFLO