smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(CCNc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000003873802	560191124	/nfs/dbraw/zinc/19/11/24/560191124.db2.gz	XTPOZVLRZZIEBW-AZAGILFBSA-N	0	0	386.412	-0.325	1	10	in-vitro	GBCFRN
Nc1ccc(CCNc2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000003873804	560191145	/nfs/dbraw/zinc/19/11/45/560191145.db2.gz	XTPOZVLRZZIEBW-KDQZPGIASA-N	0	0	386.412	-0.325	1	10	in-vitro	GBCFRN
CNC(=O)[C@@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccc(N)cc2)[C@H](O)[C@@H]1O	ZINC000009229224	560211173	/nfs/dbraw/zinc/21/11/73/560211173.db2.gz	LDYMCRRFCMRFKB-HNSFDTNUSA-N	0	0	399.411	-0.614	1	10	in-vitro	GBCFRN
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)CC[C@@H]([NH3+])C(=O)[O-])O2)c(=O)[nH]c1=O	ZINC000029251903	207357519	/nfs/dbraw/zinc/35/75/19/207357519.db2.gz	GPRGOBPSOVMTAL-YTWAJWBKSA-N	0	0	396.360	-0.453	1	10		GBCFRN
CC(C)c1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(N)cc1	ZINC000038896920	205041306	/nfs/dbraw/zinc/04/13/06/205041306.db2.gz	AEMRFZNVDRRUMY-YRHQEJDOSA-N	0	0	393.440	-0.115	1	10		GBCFRN
CCOC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000070454452	291094688	/nfs/dbraw/zinc/09/46/88/291094688.db2.gz	LEUHYTKFUDEERH-JEACWUJLSA-N	0	0	382.365	-0.167	1	10	biogenic,in-vitro	GBCFRN
COC(=O)/C=C(/C(=O)OC)[C@H]1c2c(O)c(O)c(O)cc2C(=O)O[C@@H]1C(=O)OC	ZINC000085541304	291094690	/nfs/dbraw/zinc/09/46/90/291094690.db2.gz	OEUIKZZDJWSHAW-JMZAUNQWSA-N	0	0	396.304	-0.129	1	10	biogenic,in-vitro	GBCFRN