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)c1ccc(/C=N/[C@H]2[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]2O)cc1	ZINC000004607778	522134231	/nfs/dbraw/zinc/13/42/31/522134231.db2.gz	HJAWJHKKIRRCDA-FTKFSYRLSA-N	0	3	310.350	-1.029	10	30		DAEEHN
CN(C)c1ccc(/C=N/[C@@H]2[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]2O)cc1	ZINC000004607776	522135499	/nfs/dbraw/zinc/13/54/99/522135499.db2.gz	HJAWJHKKIRRCDA-QMKCUJPRSA-N	0	3	310.350	-1.029	10	30		DAEEHN
CN(C)c1ccc(/C=N/[C@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000004607772	522136412	/nfs/dbraw/zinc/13/64/12/522136412.db2.gz	HJAWJHKKIRRCDA-FDWYYZTQSA-N	0	3	310.350	-1.029	10	30		DAEEHN
CN1CC[C@H]2OCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)[C@H]2C1	ZINC000284488700	277180769	/nfs/dbraw/zinc/18/07/69/277180769.db2.gz	HGSNUDRJFKOOPH-NWDGAFQWSA-N	0	3	319.365	-1.135	10	30		DAEEHN
O=C(C(CO)NNc1nncc2ccccc21)[C@@H](O)[C@H](O)CO	ZINC000022047822	527505288	/nfs/dbraw/zinc/50/52/88/527505288.db2.gz	JTXLYEKQSQUJTI-HWZSSGKQSA-N	0	3	322.321	-1.535	10	30	in-vitro	DAEEHN
CN1CC[C@@H]2OCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)[C@@H]2C1	ZINC000284488696	277154812	/nfs/dbraw/zinc/15/48/12/277154812.db2.gz	HGSNUDRJFKOOPH-NEPJUHHUSA-N	0	3	319.365	-1.135	10	30		DAEEHN
O=C(C(CO)NNc1nncc2ccccc21)[C@H](O)[C@H](O)CO	ZINC000035636258	527504657	/nfs/dbraw/zinc/50/46/57/527504657.db2.gz	JTXLYEKQSQUJTI-MXDJLZDASA-N	0	3	322.321	-1.535	10	30	in-vitro	DAEEHN
CN1CC[C@@H]2OCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)[C@H]2C1	ZINC000284488705	290169746	/nfs/dbraw/zinc/16/97/46/290169746.db2.gz	HGSNUDRJFKOOPH-RYUDHWBXSA-N	0	3	319.365	-1.135	10	30		DAEEHN
C#CCOCCOCCN(CCOCCO)CCOCCO	ZINC000616568538	372948587	/nfs/dbraw/zinc/94/85/87/372948587.db2.gz	SYALILPHJRBSKH-UHFFFAOYSA-N	0	3	319.398	-1.027	10	30		DAEEHN
CN1CC[C@H]2OCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)[C@@H]2C1	ZINC000284488710	290237779	/nfs/dbraw/zinc/23/77/79/290237779.db2.gz	HGSNUDRJFKOOPH-VXGBXAGGSA-N	0	3	319.365	-1.135	10	30		DAEEHN
CN(C)c1ccc(/C=N/[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000004607774	522136704	/nfs/dbraw/zinc/13/67/04/522136704.db2.gz	HJAWJHKKIRRCDA-HRDYNLETSA-N	0	3	310.350	-1.029	10	30		DAEEHN
O=C(C(CO)NNc1nncc2ccccc21)[C@@H](O)[C@H](O)CO	ZINC000035636259	527505258	/nfs/dbraw/zinc/50/52/58/527505258.db2.gz	JTXLYEKQSQUJTI-MDPBIHLYSA-N	0	3	322.321	-1.535	10	30	in-vitro	DAEEHN
O=C(C(CO)NNc1nncc2ccccc21)[C@H](O)[C@H](O)CO	ZINC000022047813	527505728	/nfs/dbraw/zinc/50/57/28/527505728.db2.gz	JTXLYEKQSQUJTI-BGZBJWSCSA-N	0	3	322.321	-1.535	10	30	in-vitro	DAEEHN