smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCN1CC=CC[C@H](C2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)C1=O	ZINC000072371081	556937309	/nfs/dbraw/zinc/93/73/09/556937309.db2.gz	KBVUKHFJKPUMFY-JOCHJYFZSA-N	0	3	445.579	2.925	40	10		IFCBHN
CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(CN(C)Cc3ccc(N4CCCC4)cc3)cc2)C1	ZINC000019699235	556858524	/nfs/dbraw/zinc/85/85/24/556858524.db2.gz	OETYWOFXEMKHFS-RPBOFIJWSA-N	0	3	434.584	2.966	40	10		IFCBHN
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)OCCN(C)C)C2=O)cc1	ZINC000012274876	521937745	/nfs/dbraw/zinc/93/77/45/521937745.db2.gz	DSQVLORJIZXXTJ-SSZFMOIBSA-N	0	3	436.555	2.559	40	10		IFCBHN
CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(CN(C)Cc3ccc4c(c3)CCCN4C)cc2)C1	ZINC000019699236	556858640	/nfs/dbraw/zinc/85/86/40/556858640.db2.gz	XAELNEYRWDHURJ-RPWUZVMVSA-N	0	3	434.584	2.748	40	10		IFCBHN
COc1ccc(C[NH+]2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)c([O-])c1	ZINC000012328189	524024265	/nfs/dbraw/zinc/02/42/65/524024265.db2.gz	BPCMLFSXZNZVRH-UHFFFAOYSA-N	0	3	427.526	2.713	40	10		IFCBHN
CCOC(=O)CCN(CCCN(C)C)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O	ZINC000005393060	556049924	/nfs/dbraw/zinc/04/99/24/556049924.db2.gz	MXXKBRRQCMJOMQ-UHFFFAOYSA-N	0	3	440.496	2.585	40	10		IFCBHN
COCCN1CC=CC[C@@H](C2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)C1=O	ZINC000072371082	556937335	/nfs/dbraw/zinc/93/73/35/556937335.db2.gz	KBVUKHFJKPUMFY-QFIPXVFZSA-N	0	3	445.579	2.925	40	10		IFCBHN
CN(C)c1ccc(CN[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2cc(CC3CCCCC3)nn2)cc1	ZINC000005396135	291343098	/nfs/dbraw/zinc/34/30/98/291343098.db2.gz	KJHICENDBTYHPS-CJRSTVEYSA-N	0	3	425.577	2.964	40	10	biogenic,in-vitro	IFCBHN
CN(C)C(=O)c1ccc(C2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)nc1N	ZINC000019765752	556910780	/nfs/dbraw/zinc/91/07/80/556910780.db2.gz	FRNYZVVMOXVSNF-UHFFFAOYSA-N	0	3	441.551	2.721	40	10		IFCBHN