smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
S=C1N=NC([C@@H]2Oc3ccccc3O[C@@H]2c2ccccc2)N1c1ccccc1	ZINC000008436315	204277189	/nfs/dbraw/zinc/27/71/89/204277189.db2.gz	BQRAQEBAGPVVHA-WOJBJXKFSA-N	0	2	387.464	4.810	10	0		GJAELN
CC(C)c1cc(N2CCC[C@H](C(=O)[O-])C2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1	ZINC000073680679	519833174	/nfs/dbraw/zinc/83/31/74/519833174.db2.gz	YLTXIZGHXLUWHZ-AWEZNQCLSA-N	0	2	393.409	4.587	10	0		GJAELN
CCCc1n[nH]c(-c2ccc3c(c2)OCO3)c1NC(=O)Nc1ccccc1C	ZINC000034796616	570338114	/nfs/dbraw/zinc/33/81/14/570338114.db2.gz	XMBKWWLZIRXHPY-UHFFFAOYSA-N	0	2	378.432	4.710	10	0		GJAELN
CC(C)c1cc(N2CCC(C(=O)[O-])CC2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1	ZINC000073681905	519833127	/nfs/dbraw/zinc/83/31/27/519833127.db2.gz	YUCSCXPSFBZYNI-UHFFFAOYSA-N	0	2	393.409	4.587	10	0		GJAELN
CC(C)c1cc(N2CCCC[C@@H]2C(=O)[O-])nc(-c2ccc(C(F)(F)F)cc2)[nH+]1	ZINC000073679666	519833100	/nfs/dbraw/zinc/83/31/00/519833100.db2.gz	OWUSKLWQLJWLTR-MRXNPFEDSA-N	0	2	393.409	4.729	10	0		GJAELN
Cc1cc(C)cc(C(=O)Nc2cc(Br)c(O)c(Br)c2)c1	ZINC000040380526	205062767	/nfs/dbraw/zinc/06/27/67/205062767.db2.gz	FUVWEOLPUWGDTE-UHFFFAOYSA-N	0	2	399.082	4.786	10	0		GJAELN
CC(C)c1cc(N2CCCC[C@H]2C(=O)[O-])nc(-c2ccc(C(F)(F)F)cc2)[nH+]1	ZINC000073679668	519833195	/nfs/dbraw/zinc/83/31/95/519833195.db2.gz	OWUSKLWQLJWLTR-INIZCTEOSA-N	0	2	393.409	4.729	10	0		GJAELN
CC(C)c1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1	ZINC000073680682	519833172	/nfs/dbraw/zinc/83/31/72/519833172.db2.gz	YLTXIZGHXLUWHZ-CQSZACIVSA-N	0	2	393.409	4.587	10	0		GJAELN
CCCc1cc(N2CCCC[C@@H]2C(=O)[O-])nc(-c2ccc(C(F)(F)F)cc2)[nH+]1	ZINC000073679672	521369337	/nfs/dbraw/zinc/36/93/37/521369337.db2.gz	FWVORFKRIUYIJR-MRXNPFEDSA-N	0	2	393.409	4.558	10	0		GJAELN
S=C1N=NC([C@H]2Oc3ccccc3O[C@@H]2c2ccccc2)N1c1ccccc1	ZINC000008436316	204276622	/nfs/dbraw/zinc/27/66/22/204276622.db2.gz	BQRAQEBAGPVVHA-UXHICEINSA-N	0	2	387.464	4.810	10	0		GJAELN
CCCc1cc(N2CCCC[C@H]2C(=O)[O-])nc(-c2ccc(C(F)(F)F)cc2)[nH+]1	ZINC000073679677	521368768	/nfs/dbraw/zinc/36/87/68/521368768.db2.gz	FWVORFKRIUYIJR-INIZCTEOSA-N	0	2	393.409	4.558	10	0		GJAELN
S=C1N=NC([C@H]2Oc3ccccc3O[C@H]2c2ccccc2)N1c1ccccc1	ZINC000008436333	221042772	/nfs/dbraw/zinc/04/27/72/221042772.db2.gz	BQRAQEBAGPVVHA-PMACEKPBSA-N	0	2	387.464	4.810	10	0		GJAELN
O=C1c2[nH]nc(-c3cccs3)c2[C@@H](c2ccccc2Cl)N1c1nccs1	ZINC000096336153	208307856	/nfs/dbraw/zinc/30/78/56/208307856.db2.gz	NZBTVVLMTMHNFH-MRXNPFEDSA-N	0	2	398.900	4.998	10	0		GJAELN
CC(C)c1ccc([C@@H]2c3c(-c4ccco4)n[nH]c3C(=O)N2c2nccs2)cc1	ZINC000096336427	208308662	/nfs/dbraw/zinc/30/86/62/208308662.db2.gz	UBHQSICOLIPCFR-LJQANCHMSA-N	0	2	390.468	4.999	10	0		GJAELN
O=C1c2[nH]nc(-c3cccs3)c2[C@H](c2ccccc2Cl)N1c1nccs1	ZINC000096336154	208307762	/nfs/dbraw/zinc/30/77/62/208307762.db2.gz	NZBTVVLMTMHNFH-INIZCTEOSA-N	0	2	398.900	4.998	10	0		GJAELN