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@H]1CN(Cc2ccccc2)CCN(c2cc[nH+]cc2)C1	ZINC000108273714	186210227	/nfs/dbraw/zinc/21/02/27/186210227.db2.gz	NOMVHTFWHUKTFO-KRWDZBQOSA-N	1	3	283.375	1.765	1	0		CDAFHO
CC(C)(CN1CCC2(CC[NH2+]CC2)CC1)N1CCOCC1	ZINC000072150625	176326241	/nfs/dbraw/zinc/32/62/41/176326241.db2.gz	FEGNYLKNUMYQPK-UHFFFAOYSA-N	1	3	295.471	1.563	1	0		CDAFHO
Clc1ccccc1CN1CCNC[C@H]1C1=[NH+]CCN1	ZINC000055906557	526989207	/nfs/dbraw/zinc/98/92/07/526989207.db2.gz	SICODFNKZYJSOI-ZDUSSCGKSA-N	1	3	278.787	1.116	1	0		CDAFHO
CC1(C)NC(=N)NC(=[NH2+])N1Cc1ccc(Cl)cc1	ZINC000045287968	175353939	/nfs/dbraw/zinc/35/39/39/175353939.db2.gz	SBKYYXXZVYBKGY-UHFFFAOYSA-N	1	3	265.748	1.521	1	0		CDAFHO
C[N+]1=CC2C(=O)N(C)C(=O)N(CC3CCCCC3)[C@H]2N1	ZINC000071340696	176130557	/nfs/dbraw/zinc/13/05/57/176130557.db2.gz	JBBSXSVIZNUFJA-NWDGAFQWSA-N	1	3	279.364	1.511	1	0		CDAFHO
COCc1ncc(CN2CCC3(CC[NH2+]CC3)CC2)cn1	ZINC000072131918	176321499	/nfs/dbraw/zinc/32/14/99/176321499.db2.gz	AVCCJWHOHSLNDO-UHFFFAOYSA-N	1	3	290.411	1.589	1	0		CDAFHO
C[N+]1=CC2C(=O)N(C)C(=O)N(CC3CCCCC3)[C@@H]2N1	ZINC000071340698	176130365	/nfs/dbraw/zinc/13/03/65/176130365.db2.gz	JBBSXSVIZNUFJA-RYUDHWBXSA-N	1	3	279.364	1.511	1	0		CDAFHO
CNc1ccccc1C(=O)NCCCC[NH2+]CCCN	ZINC000040564799	174336852	/nfs/dbraw/zinc/33/68/52/174336852.db2.gz	ITORQWNOALFGJA-UHFFFAOYSA-N	1	3	278.400	1.177	1	0		CDAFHO
CNc1ccccc1C(=O)NCCCCNCCC[NH3+]	ZINC000040564799	174336853	/nfs/dbraw/zinc/33/68/53/174336853.db2.gz	ITORQWNOALFGJA-UHFFFAOYSA-N	1	3	278.400	1.177	1	0		CDAFHO
C[N+]1=CC2C(=O)N(C)C(=O)N(CC3CCCCC3)[C@@H]2N1	ZINC000071340697	176130199	/nfs/dbraw/zinc/13/01/99/176130199.db2.gz	JBBSXSVIZNUFJA-NEPJUHHUSA-N	1	3	279.364	1.511	1	0		CDAFHO
CC1(C)NC(=N)NC(NCCc2ccc(Cl)cc2)=[NH+]1	ZINC000071282143	176108582	/nfs/dbraw/zinc/10/85/82/176108582.db2.gz	AKVSATUATZDDBP-UHFFFAOYSA-N	1	3	279.775	1.482	1	0		CDAFHO
N[C@@H](Cc1ccccc1)C(O)[C@@H]([NH3+])Cc1ccccc1	ZINC000052956156	527337673	/nfs/dbraw/zinc/33/76/73/527337673.db2.gz	GZBLEJZADHZBBZ-HOTGVXAUSA-N	1	3	270.376	1.487	1	0	in-vivo	CDAFHO
O[C@H]1[C@H](N2CC=CC2)c2ccccc2C12CC[NH2+]CC2	ZINC000019635450	285371497	/nfs/dbraw/zinc/37/14/97/285371497.db2.gz	YTRZZXORZFBACL-CVEARBPZSA-N	1	3	270.376	1.595	1	0		CDAFHO
C[N+]1=CC2C(=O)N(C)C(=O)N(CC3CCCCC3)[C@H]2N1	ZINC000071340695	176130145	/nfs/dbraw/zinc/13/01/45/176130145.db2.gz	JBBSXSVIZNUFJA-VXGBXAGGSA-N	1	3	279.364	1.511	1	0		CDAFHO
N=C(N)Nc1ccc(Cc2cccc(NC(N)=[NH2+])c2)cc1	ZINC000169325203	188658628	/nfs/dbraw/zinc/65/86/28/188658628.db2.gz	FGIPJLVOQJJYPT-UHFFFAOYSA-N	1	3	282.351	1.888	1	0		CDAFHO
O[C@@H]1CN(Cc2ccccc2)CCN(c2cc[nH+]cc2)C1	ZINC000095526722	285329404	/nfs/dbraw/zinc/32/94/04/285329404.db2.gz	NOMVHTFWHUKTFO-QGZVFWFLSA-N	1	3	283.375	1.765	1	0		CDAFHO
Clc1ccccc1CN1CCNC[C@@H]1C1=[NH+]CCN1	ZINC000055906556	526988869	/nfs/dbraw/zinc/98/88/69/526988869.db2.gz	SICODFNKZYJSOI-CYBMUJFWSA-N	1	3	278.787	1.116	1	0		CDAFHO