smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC[NH+](C)C)c1cc(-c2ccccn2)[nH+]c2ccccc21	ZINC000005840838	181288161	/nfs/dbraw/zinc/28/81/61/181288161.db2.gz	MOQINZPSCFDGAK-UHFFFAOYSA-N	2	2	320.440	3.685	1	0		DHAFLP
CCCCc1ccc(-c2nc(C[NH2+]CC(C)(C)C[NH3+])co2)cc1	ZINC000072180696	191071986	/nfs/dbraw/zinc/07/19/86/191071986.db2.gz	JPDRYAFZDHWTQI-UHFFFAOYSA-N	2	2	315.461	3.759	1	0		DHAFLP
C[NH2+]C[C@@H](CSc1ccc(C(C)(C)C)cc1)c1c[nH]c[nH+]1	ZINC000064475056	184297921	/nfs/dbraw/zinc/29/79/21/184297921.db2.gz	CIHOROYSJCZFIG-ZDUSSCGKSA-N	2	2	303.475	3.803	1	0		DHAFLP
C[NH2+]C[C@H](CSc1ccc(C(F)(F)F)cc1)c1c[nH]c[nH+]1	ZINC000064564983	184300216	/nfs/dbraw/zinc/30/02/16/184300216.db2.gz	MJFULYPEKJAFJK-SNVBAGLBSA-N	2	2	315.364	3.524	1	0		DHAFLP
Cc1[nH]c2ccc3c(c2[nH+]1)[C@@]1(C)CC[N@H+](CC2CC2)[C@@H](C3)[C@@H]1C	ZINC000040829067	183138079	/nfs/dbraw/zinc/13/80/79/183138079.db2.gz	WNNMSXHAHUUIPN-JTBRQZTESA-N	2	2	309.457	3.806	1	0		DHAFLP
Cc1[nH]c2ccc3c(c2[nH+]1)[C@@]1(C)CC[N@@H+](CC2CC2)[C@@H](C3)[C@@H]1C	ZINC000040829067	183138081	/nfs/dbraw/zinc/13/80/81/183138081.db2.gz	WNNMSXHAHUUIPN-JTBRQZTESA-N	2	2	309.457	3.806	1	0		DHAFLP
Cc1[nH]c2c(ccc3c2[C@@]2(C)CC[N@H+](CC4CC4)[C@@H](C3)[C@@H]2C)[nH+]1	ZINC000040829067	183138083	/nfs/dbraw/zinc/13/80/83/183138083.db2.gz	WNNMSXHAHUUIPN-JTBRQZTESA-N	2	2	309.457	3.806	1	0		DHAFLP
Cc1[nH]c2c(ccc3c2[C@@]2(C)CC[N@@H+](CC4CC4)[C@@H](C3)[C@@H]2C)[nH+]1	ZINC000040829067	183138084	/nfs/dbraw/zinc/13/80/84/183138084.db2.gz	WNNMSXHAHUUIPN-JTBRQZTESA-N	2	2	309.457	3.806	1	0		DHAFLP
Nc1nc(-n2cc(-c3ccccc3Cl)c3c[nH+]ccc32)cc[nH+]1	ZINC000095601118	185382440	/nfs/dbraw/zinc/38/24/40/185382440.db2.gz	DGPFURGWWCIZHR-UHFFFAOYSA-N	2	2	321.771	3.718	1	0		DHAFLP
C[NH+](C)CC[NH2+][C@H]1C2C[C@H]3C[C@@H](C2)CC1(Cc1ccccc1)C3	ZINC000096931458	185392395	/nfs/dbraw/zinc/39/23/95/185392395.db2.gz	NZVUXYDUMOMHCM-LWUIHUKISA-N	2	2	312.501	3.575	1	0		DHAFLP
COc1ccccc1[C@@H]1CC[C@@]2(CCC[NH2+][C@H]2c2ccccc2)[NH2+]1	ZINC000022939065	182343510	/nfs/dbraw/zinc/34/35/10/182343510.db2.gz	LKTJRLOXOYSXCH-SESVDKBCSA-N	2	2	322.452	3.983	1	0		DHAFLP
C[NH+](C)CC[NH2+][C@@H]1C2C[C@H]3C[C@@H](C2)CC1(Cc1ccccc1)C3	ZINC000096931456	185392509	/nfs/dbraw/zinc/39/25/09/185392509.db2.gz	NZVUXYDUMOMHCM-HYUQFDPSSA-N	2	2	312.501	3.575	1	0		DHAFLP
CC(C)c1ccc(-c2nc(C[NH2+]CCC[NH+](C)C)co2)cc1	ZINC000072181813	191072429	/nfs/dbraw/zinc/07/24/29/191072429.db2.gz	JMVTYFWVGXDMRI-UHFFFAOYSA-N	2	2	301.434	3.506	1	0		DHAFLP
COc1ccccc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]2[NH2+][C@H]1c1ccccc1	ZINC000022441173	182321390	/nfs/dbraw/zinc/32/13/90/182321390.db2.gz	NDMOYPJHBNNRIM-ZFMNYDKASA-N	2	2	322.452	3.667	1	0		DHAFLP
C[NH2+]C[C@@H](CSc1ccc(C(F)(F)F)cc1)c1c[nH]c[nH+]1	ZINC000064564981	184300207	/nfs/dbraw/zinc/30/02/07/184300207.db2.gz	MJFULYPEKJAFJK-JTQLQIEISA-N	2	2	315.364	3.524	1	0		DHAFLP
Nc1nc(-n2cc(-c3cccc(Cl)c3)c3c[nH+]ccc32)cc[nH+]1	ZINC000095605060	185382614	/nfs/dbraw/zinc/38/26/14/185382614.db2.gz	YWEGMYFIQUEIBO-UHFFFAOYSA-N	2	2	321.771	3.718	1	0		DHAFLP
Nc1nc(-n2cc(-c3ccc(Cl)cc3)c3c[nH+]ccc32)cc[nH+]1	ZINC000095604486	185382650	/nfs/dbraw/zinc/38/26/50/185382650.db2.gz	UQPQASRVEMBDQW-UHFFFAOYSA-N	2	2	321.771	3.718	1	0		DHAFLP
C[NH2+]C[C@H](CSc1ccc(C(C)(C)C)cc1)c1c[nH]c[nH+]1	ZINC000064475055	184297966	/nfs/dbraw/zinc/29/79/66/184297966.db2.gz	CIHOROYSJCZFIG-CYBMUJFWSA-N	2	2	303.475	3.803	1	0		DHAFLP