smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([N-]C(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O)OCc1ccccc1	ZINC000001625441	557277122	/nfs/dbraw/zinc/27/71/22/557277122.db2.gz	PRGIJTPURRNUSX-RSUWNVLCSA-N	-1	3	421.362	-1.785	40	0		HAABHM
O=C([N-]C(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O)OCc1ccccc1	ZINC000005807991	557675622	/nfs/dbraw/zinc/67/56/22/557675622.db2.gz	PRGIJTPURRNUSX-VLXAULBPSA-N	-1	3	421.362	-1.785	40	0		HAABHM
O=C([N-]C(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O)OCc1ccccc1	ZINC000005807992	557675657	/nfs/dbraw/zinc/67/56/57/557675657.db2.gz	PRGIJTPURRNUSX-VPWBDBDCSA-N	-1	3	421.362	-1.785	40	0		HAABHM
O=C([N-]C(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O)OCc1ccccc1	ZINC000005807995	557675597	/nfs/dbraw/zinc/67/55/97/557675597.db2.gz	PRGIJTPURRNUSX-ZWUHOBOKSA-N	-1	3	421.362	-1.785	40	0		HAABHM
O=C(COc1ccccc1)Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[n-]1	ZINC000008955245	560640564	/nfs/dbraw/zinc/64/05/64/560640564.db2.gz	FOOYAXZEBFXEJD-NBCLGQJJSA-N	-1	3	417.378	-1.251	40	0		HAABHM
O=C(COc1ccccc1)Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000008955247	560640711	/nfs/dbraw/zinc/64/07/11/560640711.db2.gz	FOOYAXZEBFXEJD-ADTUEAJISA-N	-1	3	417.378	-1.251	40	0		HAABHM
O=C(COc1ccccc1)Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000008955248	560640683	/nfs/dbraw/zinc/64/06/83/560640683.db2.gz	FOOYAXZEBFXEJD-FSLVRNTJSA-N	-1	3	417.378	-1.251	40	0		HAABHM
O=C(COc1ccccc1)Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[n-]1	ZINC000012376767	560780001	/nfs/dbraw/zinc/78/00/01/560780001.db2.gz	FOOYAXZEBFXEJD-YYGKBEQOSA-N	-1	3	417.378	-1.251	40	0		HAABHM
Nc1nc2c([n-]c(=NOCc3ccccc3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000015220816	568819344	/nfs/dbraw/zinc/81/93/44/568819344.db2.gz	BTCJLKIHUKUMAR-ADGXKJENSA-N	-1	3	404.383	-1.143	40	0		HAABHM
Nc1nc2c([nH]c(=NOCc3ccccc3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000015220816	568819343	/nfs/dbraw/zinc/81/93/43/568819343.db2.gz	BTCJLKIHUKUMAR-ADGXKJENSA-N	-1	3	404.383	-1.143	40	0		HAABHM
COc1c([O-])c2ccc(=O)oc2c(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000049180912	291157317	/nfs/dbraw/zinc/15/73/17/291157317.db2.gz	KDWWYRPEBULRGU-KIZWGXMFSA-N	-1	3	400.336	-1.306	40	0	biogenic,in-vitro	HAABHM
C[C@@H]1[C@H]2C[NH+]=C3N[C@@H]([C@@H](O)c4cc(=O)[n-]c(=O)[nH]4)C[C@@H](C[C@@H]1OS(=O)(=O)[O-])N32	ZINC000061958532	569386447	/nfs/dbraw/zinc/38/64/47/569386447.db2.gz	LHJPHMKIGRLKDR-VDPNAHCISA-N	-1	3	415.428	-1.905	40	0	in-vitro	HAABHM
CC(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)[C@@H](N)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000073390779	558986283	/nfs/dbraw/zinc/98/62/83/558986283.db2.gz	RIOXASLXDGZHON-NLRWUALESA-N	-1	3	417.346	-1.673	40	0		HAABHM
CC(=O)OC[C@@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)[C@@H](N)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000073390782	558986314	/nfs/dbraw/zinc/98/63/14/558986314.db2.gz	RIOXASLXDGZHON-XOBFJNJYSA-N	-1	3	417.346	-1.673	40	0		HAABHM
CC(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)[C@@H](N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000073390786	558986267	/nfs/dbraw/zinc/98/62/67/558986267.db2.gz	RIOXASLXDGZHON-WPLOAARJSA-N	-1	3	417.346	-1.673	40	0		HAABHM
CC(=O)OC[C@@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)[C@@H](N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000073390789	558986307	/nfs/dbraw/zinc/98/63/07/558986307.db2.gz	RIOXASLXDGZHON-RLPMIEJPSA-N	-1	3	417.346	-1.673	40	0		HAABHM
C[C@]1(O)C[C@@H](O)CN(C(=O)[C@@H](N)CCC(=O)[O-])C[C@@H]1n1cnc2c1ncnc2N	ZINC000257219903	568782095	/nfs/dbraw/zinc/78/20/95/568782095.db2.gz	DISXRDXOMFUDIE-GKQUOAKQSA-N	-1	3	407.431	-1.514	40	0		HAABHM
C[C@]1(O)CC2(CCN(C(=O)[C@@H](N)CC(=O)[O-])CC2)OC[C@@H]1n1ccc(=O)[nH]c1=O	ZINC000257336185	568815053	/nfs/dbraw/zinc/81/50/53/568815053.db2.gz	YNMIRHNMAZMJAJ-PRXAMGSTSA-N	-1	3	410.427	-1.176	40	0		HAABHM
C[C@@]1(O)CC2(CCN(C(=O)C[C@H](N)C(=O)[O-])CC2)OC[C@H]1n1ccc(N)nc1=O	ZINC000585285667	559121746	/nfs/dbraw/zinc/12/17/46/559121746.db2.gz	LNSXMEPUPWXCAN-XWCIJXRUSA-N	-1	3	409.443	-1.056	40	0		HAABHM