smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1[nH+]cnc2c1c(I)cn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000001704311	209336799	/nfs/dbraw/zinc/33/67/99/209336799.db2.gz	WHSIXKUPQCKWBY-YRCUVVFSSA-N	1	2	392.153	-0.770	1	0		GBAFLO
C[C@@H]1CC(=O)C[C@@H]1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000003781460	206293135	/nfs/dbraw/zinc/29/31/35/206293135.db2.gz	MVRLGJKFVUDFCR-KJEVXHAQSA-N	1	2	375.429	-0.472	1	0	investigational	GBAFLO
C[C@@H]1CC(=O)C[C@@H]1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000003781460	206293132	/nfs/dbraw/zinc/29/31/32/206293132.db2.gz	MVRLGJKFVUDFCR-KJEVXHAQSA-N	1	2	375.429	-0.472	1	0	investigational	GBAFLO
Nc1[nH+]cnc2c1c(I)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000003871140	204021384	/nfs/dbraw/zinc/02/13/84/204021384.db2.gz	WHSIXKUPQCKWBY-TXRROPDSSA-N	1	2	392.153	-0.770	1	0		GBAFLO
Nc1[nH+]cnc2c1c(I)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000003871141	204021711	/nfs/dbraw/zinc/02/17/11/204021711.db2.gz	WHSIXKUPQCKWBY-IZCITBFLSA-N	1	2	392.153	-0.770	1	0		GBAFLO
Nc1[nH+]cnc2c1c(I)nn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O	ZINC000013833691	221292341	/nfs/dbraw/zinc/29/23/41/221292341.db2.gz	IMJPAOAGQBDOMO-BHBWVORQSA-N	1	2	395.132	-0.398	1	0		GBAFLO
O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCC[NH+]1CCOCC1	ZINC000020130738	210319001	/nfs/dbraw/zinc/31/90/01/210319001.db2.gz	FCVOWBPWZOWCRW-UHFFFAOYSA-N	1	2	386.452	-0.044	1	0		GBAFLO
NS(=O)(=O)c1nnc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)s1	ZINC000028354255	207340669	/nfs/dbraw/zinc/34/06/69/207340669.db2.gz	HYKBWCOBEOHSMP-UHFFFAOYSA-N	1	2	396.498	-0.058	1	0		GBAFLO
C[C@H]1O[C@H](n2nc(I)c3c2nc[nH+]c3N)[C@H](O)[C@@H]1O	ZINC000049021905	221993783	/nfs/dbraw/zinc/99/37/83/221993783.db2.gz	VKPXTCPZJAYKOY-VITAEQTISA-N	1	2	377.142	-0.348	1	0		GBAFLO
Nc1[nH+]cnc2c1c(I)nn2[C@H]1O[C@H](CF)[C@@H](O)[C@H]1O	ZINC000049785957	205129709	/nfs/dbraw/zinc/12/97/09/205129709.db2.gz	IMJPAOAGQBDOMO-VITAEQTISA-N	1	2	395.132	-0.398	1	0		GBAFLO
Cc1ccc(-c2c(C(N)=O)c3c(nc[nH+]c3N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1	ZINC000073160022	222266611	/nfs/dbraw/zinc/26/66/11/222266611.db2.gz	CEOVXXUUFBHAQP-XFDQDIGDSA-N	1	2	399.407	-0.301	1	0		GBAFLO
NC(=O)c1c2c(nc[nH+]c2N)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1-c1cccs1	ZINC000073387322	211127729	/nfs/dbraw/zinc/12/77/29/211127729.db2.gz	FJGSHLIEDFJZKC-NIVLEXSMSA-N	1	2	391.409	-0.548	1	0		GBAFLO
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1c2nc[nH+]c(N)c2c2c1[nH]c(=S)[nH]c2=O	ZINC000096910278	211350222	/nfs/dbraw/zinc/35/02/22/211350222.db2.gz	NQOOTAMJFGKKPN-BFVKJHSXSA-N	1	2	380.386	-0.674	1	0		GBAFLO
CCN(C[C@H]1[NH2+][C@@](CC)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)NC(C)C	ZINC000061947103	205183901	/nfs/dbraw/zinc/18/39/01/205183901.db2.gz	ZPYJKINKUPCTSR-SJBDTSRBSA-N	1	2	382.461	-0.049	3	0		GBAFLO