smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1cc(N2CC[N@@H+](CCC(=O)[O-])C[C@H](O)C2)nc[nH+]1	ZINC000097522697	374872482	/nfs/dbraw/zinc/87/24/82/374872482.db2.gz	XBVIMAGNDUEVHL-NSHDSACASA-N	-1	2	309.370	-0.500	50	0		DBAALM
Cc1cn([C@@H]2CC[C@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000001610272	381101607	/nfs/dbraw/zinc/10/16/07/381101607.db2.gz	WVNRRNJFRREKAR-SFYZADRCSA-N	-1	2	306.211	-0.368	50	0		DBAALM
Cc1cn([C@@H]2CC[C@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000001610272	381101617	/nfs/dbraw/zinc/10/16/17/381101617.db2.gz	WVNRRNJFRREKAR-SFYZADRCSA-N	-1	2	306.211	-0.368	50	0		DBAALM
O=C1NC(=O)C(O)(c2c([O-])c3ccccc3oc2=O)C(=O)N1	ZINC000008764859	382667447	/nfs/dbraw/zinc/66/74/47/382667447.db2.gz	DJEQCVNTEYKHSE-UHFFFAOYSA-N	-1	2	304.214	-0.108	50	0	biogenic	DBAALM
O=C(COc1ccccc1[P@](=O)([O-])O)N1CCOCC1	ZINC000009305381	382691663	/nfs/dbraw/zinc/69/16/63/382691663.db2.gz	CPKKWKJNKGRJJU-UHFFFAOYSA-N	-1	2	301.235	-0.273	50	0		DBAALM
O=C(COc1ccccc1[P@@](=O)([O-])O)N1CCOCC1	ZINC000009305381	382691665	/nfs/dbraw/zinc/69/16/65/382691665.db2.gz	CPKKWKJNKGRJJU-UHFFFAOYSA-N	-1	2	301.235	-0.273	50	0		DBAALM
O=c1[nH]cnc(O)c1C(c1cccnc1)C1C(=O)N=CN=C1[O-]	ZINC000008691865	382666084	/nfs/dbraw/zinc/66/60/84/382666084.db2.gz	XAUODVYPMWCWDM-UHFFFAOYSA-N	-1	2	313.273	-0.160	50	0		DBAALM
Cn1nnc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1	ZINC000127101135	374337390	/nfs/dbraw/zinc/33/73/90/374337390.db2.gz	BBMMXAVBIPIHEJ-UHFFFAOYSA-N	-1	2	301.259	-0.152	50	0		DBAALM
O=c1[n-]nnn1-c1ccc(NS(=O)(=O)c2cn[nH]c2)cc1	ZINC000195505723	201396861	/nfs/dbraw/zinc/39/68/61/201396861.db2.gz	CJEAYJWCCDBJBS-UHFFFAOYSA-N	-1	2	307.295	-0.521	50	0		DBAALM
O=C([O-])[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC000097716686	374876848	/nfs/dbraw/zinc/87/68/48/374876848.db2.gz	KTISSXUNCRRQJU-LBPRGKRZSA-N	-1	2	302.338	-0.027	50	0		DBAALM
Cc1cn([C@@H]2CC[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000001610270	381100693	/nfs/dbraw/zinc/10/06/93/381100693.db2.gz	WVNRRNJFRREKAR-YUMQZZPRSA-N	-1	2	306.211	-0.368	50	0		DBAALM
Cc1cn([C@@H]2CC[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000001610270	381100707	/nfs/dbraw/zinc/10/07/07/381100707.db2.gz	WVNRRNJFRREKAR-YUMQZZPRSA-N	-1	2	306.211	-0.368	50	0		DBAALM
Cn1nnc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1	ZINC000127109352	544484161	/nfs/dbraw/zinc/48/41/61/544484161.db2.gz	JYZISYWENCYUNM-UHFFFAOYSA-N	-1	2	301.259	-0.152	50	0		DBAALM
CO[C@H]1C[N@@H+](C)C[C@@H]1NS(=O)(=O)c1c(C)nn(C)c1Cl	ZINC000534637765	334310029	/nfs/dbraw/zinc/31/00/29/334310029.db2.gz	DJHZKIDOVMNNGZ-IUCAKERBSA-N	-1	2	322.818	-0.011	50	0		DBAALM
Nc1nc(NCCCc2nn[nH]n2)cc(N2CCOCC2)[nH+]1	ZINC000065527458	374648559	/nfs/dbraw/zinc/64/85/59/374648559.db2.gz	HHZGHKDPGIXTHF-UHFFFAOYSA-N	-1	2	305.346	-0.547	50	0		DBAALM
O=C([O-])[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1	ZINC000097716688	374878135	/nfs/dbraw/zinc/87/81/35/374878135.db2.gz	KTISSXUNCRRQJU-GFCCVEGCSA-N	-1	2	302.338	-0.027	50	0		DBAALM
Cc1nc2[nH]cnn2c(=O)c1CCC(=O)NCCc1c[nH]c[nH+]1	ZINC000101475000	379839354	/nfs/dbraw/zinc/83/93/54/379839354.db2.gz	VXOKSHMPJYCLEU-UHFFFAOYSA-N	-1	2	315.337	-0.259	50	0		DBAALM
Cc1cn([C@H]2CC[C@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000001610271	381102084	/nfs/dbraw/zinc/10/20/84/381102084.db2.gz	WVNRRNJFRREKAR-HTQZYQBOSA-N	-1	2	306.211	-0.368	50	0		DBAALM
Cc1cn([C@H]2CC[C@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000001610271	381102095	/nfs/dbraw/zinc/10/20/95/381102095.db2.gz	WVNRRNJFRREKAR-HTQZYQBOSA-N	-1	2	306.211	-0.368	50	0		DBAALM
Cc1cn([C@H]2CC[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000001610269	374271720	/nfs/dbraw/zinc/27/17/20/374271720.db2.gz	WVNRRNJFRREKAR-JGVFFNPUSA-N	-1	2	306.211	-0.368	50	0	in-vivo	DBAALM
Cc1cn([C@H]2CC[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000001610269	374271729	/nfs/dbraw/zinc/27/17/29/374271729.db2.gz	WVNRRNJFRREKAR-JGVFFNPUSA-N	-1	2	306.211	-0.368	50	0	in-vivo	DBAALM