smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[N@H+](CC)CCCNC(=S)Nc1ccc2nc(N3CC[NH+](CC)CC3)cc(C)c2c1	ZINC000015961445	520474544	/nfs/dbraw/zinc/47/45/44/520474544.db2.gz	UHQWWXMFPSGPEU-UHFFFAOYSA-N	2	0	470.731	4.895	50	30		JJEARP
CCC[NH+](CCC)CCCNC(=S)Nc1ccc2nc(N3CC[NH+](CC)CC3)cc(C)c2c1	ZINC000015961474	521642728	/nfs/dbraw/zinc/64/27/28/521642728.db2.gz	JOWHAUBDIRDYTL-UHFFFAOYSA-N	2	0	470.731	4.895	50	30		JJEARP
O=C(C[N+]12CC[N+](CC(=O)c3cccc4ccccc43)(CC1)CC2)c1cccc2ccccc21	ZINC000016526236	527189050	/nfs/dbraw/zinc/18/90/50/527189050.db2.gz	RZQHGJZXQHNVRR-UHFFFAOYSA-N	2	0	450.582	4.719	50	30		JJEARP
C[NH+](C)C[C@H]1CCC2=C(C1=O)C(c1ccc(Cl)c(Cl)c1)C1=C(CC[C@H](C[NH+](C)C)C1=O)O2	ZINC000001588177	194128788	/nfs/dbraw/zinc/12/87/88/194128788.db2.gz	FEHKQTCFKALTRL-HZPDHXFCSA-N	2	0	477.432	4.697	50	30	in-vitro	JJEARP
CCCC[N@H+](CC)CCCNC(=S)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1	ZINC000018127021	556291512	/nfs/dbraw/zinc/29/15/12/556291512.db2.gz	MBKLKGGOYNYQAP-UHFFFAOYSA-N	2	0	456.704	4.505	50	30		JJEARP
CCCOc1cc(OCCC)c(C#CC#CC[NH+]2CCCCC2)cc1C#CC#CC[NH+]1CCCCC1	ZINC000016667079	556150124	/nfs/dbraw/zinc/15/01/24/556150124.db2.gz	VKRITAAXVMSXLB-UHFFFAOYSA-N	2	0	484.684	4.946	50	30		JJEARP
C[NH+](C)C[C@@H]1CCC2=C(C1=O)C(c1ccc(Cl)c(Cl)c1)C1=C(CC[C@@H](C[NH+](C)C)C1=O)O2	ZINC000001588176	553979863	/nfs/dbraw/zinc/97/98/63/553979863.db2.gz	FEHKQTCFKALTRL-HOTGVXAUSA-N	2	0	477.432	4.697	50	30	in-vitro	JJEARP