smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CC[C@H]([NH3+])CC(=O)N[C@@H]1C=C[C@@H](n2ccc(N)nc2=O)O[C@H]1C(=O)[O-])C(N)=[NH2+]	ZINC000001529342	569064056	/nfs/dbraw/zinc/06/40/56/569064056.db2.gz	CXNPLSGKWMLZPZ-GIFSMMMISA-N	1	0	422.446	-2.219	10	0		HAAERO
C[NH2+][C@H](C(=O)N[C@H]1C[C@@](O)(C(=O)N[C@H](CC(C)C)C(N)=O)C[C@@H](O)[C@@H]1O)C(C)C	ZINC000003840175	291154193	/nfs/dbraw/zinc/15/41/93/291154193.db2.gz	HFDROTXGFVYQFH-GUAQRYROSA-N	1	0	416.519	-2.022	10	0		HAAERO
CN(CC[C@H]([NH3+])CC(=O)N[C@H]1C=C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1C(=O)[O-])C(N)=[NH2+]	ZINC000004096233	560193938	/nfs/dbraw/zinc/19/39/38/560193938.db2.gz	REIIQZAQCCFGIJ-ZNIXKSQXSA-N	1	0	423.430	-2.508	10	0	in-vitro	HAAERO
CN(CC[C@@H]([NH3+])CC(=O)N[C@H]1C=C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1C(=O)[O-])C(N)=[NH2+]	ZINC000004096234	560193920	/nfs/dbraw/zinc/19/39/20/560193920.db2.gz	REIIQZAQCCFGIJ-QOBDMFJFSA-N	1	0	423.430	-2.508	10	0	in-vitro	HAAERO
CS(=O)(=O)CC[C@H](NC(=O)C1=C[C@@H](NC(=O)CC[NH3+])[C@@H](O)[C@H](O)C1)C(N)=O	ZINC000004200818	291157320	/nfs/dbraw/zinc/15/73/20/291157320.db2.gz	VPQMHHFQWPVPSC-SBFPOUOMSA-N	1	0	406.461	-3.723	10	0		HAAERO
C[C@@H](O)[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000004899469	568941406	/nfs/dbraw/zinc/94/14/06/568941406.db2.gz	KKPOGALELPLJTL-MEYUZBJRSA-N	1	0	410.471	-1.174	10	0		HAAERO
COC(=O)[C@@H](C)NC(=O)[C@@H]1CN(C(=O)C2CC[NH2+]CC2)CCN1S(C)(=O)=O	ZINC000005398662	291156241	/nfs/dbraw/zinc/15/62/41/291156241.db2.gz	XKYWIJPCGJKBKL-YPMHNXCESA-N	1	0	404.489	-1.864	10	0		HAAERO
C[C@@H](O)[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000008076041	568490182	/nfs/dbraw/zinc/49/01/82/568490182.db2.gz	YFQSSOAGMZGXFT-MEYUZBJRSA-N	1	0	410.471	-1.174	10	0		HAAERO
COCC(=O)N1CCN(C(=O)C2CC[NH2+]CC2)[C@H](C(=O)N[C@H]2CCCNC2=O)C1	ZINC000008299530	291156679	/nfs/dbraw/zinc/15/66/79/291156679.db2.gz	KQFHFKAMCHYPQK-GJZGRUSLSA-N	1	0	409.487	-1.933	10	0		HAAERO
C[NH+](C)CCNC(=O)C[C@@H]1O[C@H](CNC(=O)c2ccc3c(c2)OCO3)[C@@H](O)[C@@H]1O	ZINC000012603665	291154020	/nfs/dbraw/zinc/15/40/20/291154020.db2.gz	UXFSYDXAGPYWPR-BURFUSLBSA-N	1	0	409.439	-1.298	10	0	biogenic	HAAERO
C[NH+](C)CCNC(=O)C[C@@H]1O[C@H](CNC(=O)c2ccc3c(c2)OCO3)[C@@H](O)[C@H]1O	ZINC000015675162	291154013	/nfs/dbraw/zinc/15/40/13/291154013.db2.gz	UXFSYDXAGPYWPR-CIRFHOKZSA-N	1	0	409.439	-1.298	10	0	biogenic	HAAERO
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)C[NH3+])C(=O)[O-]	ZINC000015721897	560645932	/nfs/dbraw/zinc/64/59/32/560645932.db2.gz	CLXVYFATVCRKJC-DCAQKATOSA-N	1	0	402.452	-3.231	10	0		HAAERO
CN(CC[C@H]([NH3+])CC(=O)N[C@H]1C=C[C@@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)[O-])C(N)=[NH2+]	ZINC000137565603	569030694	/nfs/dbraw/zinc/03/06/94/569030694.db2.gz	CXNPLSGKWMLZPZ-NUZBWSBOSA-N	1	0	422.446	-2.219	10	0		HAAERO
CN(CC[C@H]([NH3+])CC(=O)N[C@@H]1C=C[C@H](n2ccc(N)nc2=O)O[C@H]1C(=O)[O-])C(N)=[NH2+]	ZINC000253986325	569252785	/nfs/dbraw/zinc/25/27/85/569252785.db2.gz	CXNPLSGKWMLZPZ-GZZJDILISA-N	1	0	422.446	-2.219	10	0		HAAERO