smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@@H]3CCC[N@@H+]23)cc1	ZINC000058543530	205176218	/nfs/dbraw/zinc/17/62/18/205176218.db2.gz	QKVYJJDWLBNNSF-NMLBUPMWSA-N	2	1	388.471	2.291	1	0		GEAFMP
CCc1[nH+]c2ccc(C(=O)NCCC[NH+](C)C)cn2c1N(CC)CCOC	ZINC000061929194	205184565	/nfs/dbraw/zinc/18/45/65/205184565.db2.gz	HIOZJQLYZBLGOY-UHFFFAOYSA-N	2	1	375.517	2.051	3	0		GEAFMP
CN([C@@H]1CC[N@H+]2CCc3ccccc3[C@@H]2C1)S(=O)(=O)CC[NH+]1CCCCC1	ZINC000029215507	207358868	/nfs/dbraw/zinc/35/88/68/207358868.db2.gz	CKFZRPUKPZJGSX-CTNGQTDRSA-N	2	1	391.581	2.496	1	0		GEAFMP
C[C@@H](NC(=O)C1([NH3+])CCN(c2[nH+]cnc3[nH]ccc32)CC1)c1ccc(F)cc1	ZINC000095582867	136182345	/nfs/dbraw/zinc/18/23/45/136182345.db2.gz	NYQLHIXUWWCSBD-CYBMUJFWSA-N	2	1	382.443	2.272	1	0		GEAFMP
c1ccc(CCNc2nc(Nc3cc[nH+]cc3)nc(N3CC[NH2+]CC3)n2)cc1	ZINC000045298862	581092411	/nfs/dbraw/zinc/09/24/11/581092411.db2.gz	AWMGQCCTIZRQSA-UHFFFAOYSA-N	2	1	376.468	2.074	1	0		GEAFMP
[NH3+]C[C@@H](C(=O)N1CCN(c2[nH+]cnc3[nH]ccc32)CC1)c1ccc(Cl)cc1	ZINC000064539221	136157007	/nfs/dbraw/zinc/15/70/07/136157007.db2.gz	SBRSSMHWCHVBFI-MRXNPFEDSA-N	2	1	384.871	2.002	1	0		GEAFMP
[NH3+]CCCN(CCC[N@H+]1CCc2ccccc2C1)S(=O)(=O)c1ccccc1	ZINC000073159855	208032189	/nfs/dbraw/zinc/03/21/89/208032189.db2.gz	AUUJDSNHSKQDHS-UHFFFAOYSA-N	2	1	387.549	2.475	1	0		GEAFMP
[NH3+]C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2[nH+]cnc3[nH]ccc32)CC1	ZINC000064539979	136156892	/nfs/dbraw/zinc/15/68/92/136156892.db2.gz	IYQSFRNHWXBIKV-OAHLLOKOSA-N	2	1	398.898	2.078	1	0		GEAFMP
O=C([C@H]1C[C@@H](Oc2ccc(F)cc2)C[NH2+]1)N1CCC[N@H+](C2CCCC2)CC1	ZINC000072179780	222216539	/nfs/dbraw/zinc/21/65/39/222216539.db2.gz	NMGQVIBOWRVISE-WOJBJXKFSA-N	2	1	375.488	2.412	1	0		GEAFMP
CN(C)C(=O)C[NH+]1CCC(n2cc(-c3cccc(O)c3)c3c2nc[nH+]c3N)CC1	ZINC000000590739	212164094	/nfs/dbraw/zinc/16/40/94/212164094.db2.gz	HUZDGCVNDDSQGA-UHFFFAOYSA-N	2	1	394.479	2.111	1	0		GEAFMP
C[NH2+]CCN(C)c1nc(Nc2cc[nH+]cc2)nc(NC2Cc3ccccc3C2)n1	ZINC000045300117	581099395	/nfs/dbraw/zinc/09/93/95/581099395.db2.gz	SJCIJDITXRSPCB-UHFFFAOYSA-N	2	1	390.495	2.245	1	0		GEAFMP
C[C@H](NC(=O)C1([NH3+])CCN(c2[nH+]cnc3[nH]ccc32)CC1)c1ccc(F)cc1	ZINC000095582866	136182374	/nfs/dbraw/zinc/18/23/74/136182374.db2.gz	NYQLHIXUWWCSBD-ZDUSSCGKSA-N	2	1	382.443	2.272	1	0		GEAFMP