smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1	ZINC000159531842	282147687	/nfs/dbraw/zinc/14/76/87/282147687.db2.gz	FZEAMWRSKSGLEX-KURKYZTESA-N	2	0	300.446	2.795	50	70		DFIARP
COc1ccc(C[N@@H+](Cc2ccccn2)C[C@H]2[C@@H]3C[NH2+]C[C@H]23)cc1	ZINC000216979952	426560866	/nfs/dbraw/zinc/56/08/66/426560866.db2.gz	JZIUAVUMXSMCFS-PMOLBWCYSA-N	2	0	323.440	2.558	50	70		DFIARP
Cc1ncsc1C[N@@H+](Cc1ccccc1)C[C@H]1[C@@H]2C[NH2+]C[C@H]12	ZINC000217714154	542877934	/nfs/dbraw/zinc/87/79/34/542877934.db2.gz	ZZQUEOJFPJFZPW-FVQHAEBGSA-N	2	0	313.470	2.919	50	70		DFIARP
C[NH+](C)Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1	ZINC000159531567	186125789	/nfs/dbraw/zinc/12/57/89/186125789.db2.gz	FZEAMWRSKSGLEX-KSZLIROESA-N	2	0	300.446	2.795	50	70		DFIARP
Cc1cccc(C)c1C[NH+]1CCC(CO)(C[NH+]2CCCC2)CC1	ZINC000218242618	426568670	/nfs/dbraw/zinc/56/86/70/426568670.db2.gz	ACTJPQKCCPVJNT-UHFFFAOYSA-N	2	0	316.489	2.974	50	70		DFIARP
Cc1cccc(-n2cc(CN3C[C@H]4CC[C@@H](C3)[C@H]4[NH+](C)C)cn2)c1	ZINC000217121658	563713417	/nfs/dbraw/zinc/71/34/17/563713417.db2.gz	QYJHQBBHCIZNGR-RUYXUALKSA-N	2	0	324.472	2.953	50	70		DFIARP
CCn1c(C[NH+]2CCCCCCCC2)nnc1[C@H]1C[C@H]([NH3+])C1	ZINC000218144154	426566151	/nfs/dbraw/zinc/56/61/51/426566151.db2.gz	SIGCNXCWRFEBAF-GASCZTMLSA-N	2	0	305.470	2.659	50	70		DFIARP
C[NH+]1CCC(C)(C[NH+]2CCN(CCc3ccccc3)CC2)CC1	ZINC000218758010	542878910	/nfs/dbraw/zinc/87/89/10/542878910.db2.gz	WHXDHXHNMPGPSQ-UHFFFAOYSA-N	2	0	315.505	2.579	50	70		DFIARP
COc1ccc(C[N@H+]2C[C@@H]3[C@@H](C[NH+](C)C)[C@@H]3C2)c(Cl)c1OC	ZINC000217002175	426560984	/nfs/dbraw/zinc/56/09/84/426560984.db2.gz	VJUXBEVBBMRNKI-ZSOGYDGISA-N	2	0	324.852	2.597	50	70		DFIARP
CCC[NH+]1CCC(CCNc2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)CC1	ZINC000218213538	201533733	/nfs/dbraw/zinc/53/37/33/201533733.db2.gz	GIVPPQPWAHZARR-WKILWMFISA-N	2	0	317.481	2.605	50	70		DFIARP