smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)([O-])CP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000003873852	555949969	/nfs/dbraw/zinc/94/99/69/555949969.db2.gz	OLCWZBFDIYXLAA-POYYFJLXSA-N	-3	3	425.231	-1.635	40	0		IAABHL
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)([O-])CP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000003873853	555949800	/nfs/dbraw/zinc/94/98/00/555949800.db2.gz	OLCWZBFDIYXLAA-TXRROPDSSA-N	-3	3	425.231	-1.635	40	0		IAABHL
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)([O-])CP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000003873854	555949846	/nfs/dbraw/zinc/94/98/46/555949846.db2.gz	OLCWZBFDIYXLAA-YRCUVVFSSA-N	-3	3	425.231	-1.635	40	0		IAABHL
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)([O-])CP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000003873855	555949869	/nfs/dbraw/zinc/94/98/69/555949869.db2.gz	OLCWZBFDIYXLAA-IZCITBFLSA-N	-3	3	425.231	-1.635	40	0		IAABHL
O=c1[n-]cnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000012958393	556418574	/nfs/dbraw/zinc/41/85/74/556418574.db2.gz	JPXZQMKKFWMMGK-HGOUYRHRSA-N	-4	3	428.187	-2.035	40	0	in-vitro	IAABHL
Nc1nc(=O)c2nc(N=Nc3c([O-])[nH]c4ccccc43)n([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2[n-]1	ZINC000013425104	569316110	/nfs/dbraw/zinc/31/61/10/569316110.db2.gz	KTIOQJISOHJZQO-VHJICNHVSA-N	-2	3	442.392	-3.802	40	0		IAABHL
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])C(C(=O)[O-])C(=O)[O-]	ZINC000022873628	527606125	/nfs/dbraw/zinc/60/61/25/527606125.db2.gz	QHVQPQHJBJEGLN-UHFFFAOYSA-N	-6	3	437.358	-3.231	40	0		IAABHL
O=c1[n-]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000035024781	527446335	/nfs/dbraw/zinc/44/63/35/527446335.db2.gz	JPXZQMKKFWMMGK-WDHZHIADSA-N	-4	3	428.187	-2.035	40	0	in-vitro	IAABHL
O=c1[n-]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000035024785	527446663	/nfs/dbraw/zinc/44/66/63/527446663.db2.gz	JPXZQMKKFWMMGK-HUEBKHCJSA-N	-4	3	428.187	-2.035	40	0	in-vitro	IAABHL
O=c1[n-]cnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000035024786	527446450	/nfs/dbraw/zinc/44/64/50/527446450.db2.gz	JPXZQMKKFWMMGK-PERBPWGJSA-N	-4	3	428.187	-2.035	40	0	in-vitro	IAABHL
C[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000104215570	557452722	/nfs/dbraw/zinc/45/27/22/557452722.db2.gz	VXVNYCRICCVPTD-BVJDCXFSSA-N	-2	3	444.440	-1.601	40	0	in-vitro	IAABHL
C[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000104215576	557452870	/nfs/dbraw/zinc/45/28/70/557452870.db2.gz	VXVNYCRICCVPTD-GACGLEHPSA-N	-2	3	444.440	-1.601	40	0	in-vitro	IAABHL
CC(=O)Nc1c([O-])nc(SCC(=O)Nc2cc(S(N)(=O)=O)ccc2C)[n-]c1=O	ZINC000104611026	557327476	/nfs/dbraw/zinc/32/74/76/557327476.db2.gz	KKDWVXJFYABLOG-UHFFFAOYSA-N	-2	3	427.464	-1.169	40	0		IAABHL
O=c1[n-]cnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@H]1O	ZINC000106686432	569250474	/nfs/dbraw/zinc/25/04/74/569250474.db2.gz	JPXZQMKKFWMMGK-CMEPRQAFSA-N	-4	3	428.187	-2.035	40	0		IAABHL
C[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000169296420	568931236	/nfs/dbraw/zinc/93/12/36/568931236.db2.gz	VXVNYCRICCVPTD-APRBURLNSA-N	-2	3	444.440	-1.601	40	0	in-vitro	IAABHL
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000169686734	569000462	/nfs/dbraw/zinc/00/04/62/569000462.db2.gz	MUHBBHLZPHKTTR-GCNFNEMBSA-N	-2	3	444.440	-1.468	40	0	in-vitro	IAABHL
CN(C)[C@@H]1C(=O)C(C(N)=O)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000169686734	569000459	/nfs/dbraw/zinc/00/04/59/569000459.db2.gz	MUHBBHLZPHKTTR-GCNFNEMBSA-N	-2	3	444.440	-1.468	40	0	in-vitro	IAABHL
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000169686735	569000382	/nfs/dbraw/zinc/00/03/82/569000382.db2.gz	MUHBBHLZPHKTTR-VHOYBAKPSA-N	-2	3	444.440	-1.468	40	0	in-vitro	IAABHL
CN(C)[C@@H]1C(=O)C(C(N)=O)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000169686735	569000380	/nfs/dbraw/zinc/00/03/80/569000380.db2.gz	MUHBBHLZPHKTTR-VHOYBAKPSA-N	-2	3	444.440	-1.468	40	0	in-vitro	IAABHL
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000169686736	569000422	/nfs/dbraw/zinc/00/04/22/569000422.db2.gz	MUHBBHLZPHKTTR-VJOVQSOUSA-N	-2	3	444.440	-1.468	40	0	in-vitro	IAABHL
CN(C)[C@@H]1C(=O)C(C(N)=O)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000169686736	569000420	/nfs/dbraw/zinc/00/04/20/569000420.db2.gz	MUHBBHLZPHKTTR-VJOVQSOUSA-N	-2	3	444.440	-1.468	40	0	in-vitro	IAABHL
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000169686737	569000469	/nfs/dbraw/zinc/00/04/69/569000469.db2.gz	MUHBBHLZPHKTTR-QHQRUVCVSA-N	-2	3	444.440	-1.468	40	0	in-vitro	IAABHL
CN(C)[C@@H]1C(=O)C(C(N)=O)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000169686737	569000467	/nfs/dbraw/zinc/00/04/67/569000467.db2.gz	MUHBBHLZPHKTTR-QHQRUVCVSA-N	-2	3	444.440	-1.468	40	0	in-vitro	IAABHL
C[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000169688935	569000252	/nfs/dbraw/zinc/00/02/52/569000252.db2.gz	VXVNYCRICCVPTD-XXOVMQRRSA-N	-2	3	444.440	-1.601	40	0	in-vitro	IAABHL