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@@H](C[C@H]1CCCN1CCC[NH+]1CCCCC1)c1ccccc1	ZINC000161384422	432776291	/nfs/dbraw/zinc/77/62/91/432776291.db2.gz	KAWCAHLTBLZYKN-UXHICEINSA-N	1	3	316.489	3.451	10	70		DGIEHO
COc1ccc2c(c1)[C@@H](NCCCC[NH+]1CCCC1)CCCO2	ZINC000159582278	432687782	/nfs/dbraw/zinc/68/77/82/432687782.db2.gz	SMFBTVRMRAGPFJ-SFHVURJKSA-N	1	3	318.461	3.375	10	70		DGIEHO
CCOC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000161090496	528975741	/nfs/dbraw/zinc/97/57/41/528975741.db2.gz	GYEOEANMKQNJFS-UXDRXVOSSA-N	1	3	302.462	3.197	10	70		DGIEHO
CCOC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000161090496	528975748	/nfs/dbraw/zinc/97/57/48/528975748.db2.gz	GYEOEANMKQNJFS-UXDRXVOSSA-N	1	3	302.462	3.197	10	70		DGIEHO
C/C(=C/c1ccc(Cl)cc1)CNCCC[NH+]1CCC(O)CC1	ZINC000160117356	432706352	/nfs/dbraw/zinc/70/63/52/432706352.db2.gz	RCNCEDWZVVBSID-SQFISAMPSA-N	1	3	322.880	3.180	10	70		DGIEHO
COc1ccc2c(c1)[C@H](NCCCC[NH+]1CCCC1)CCCO2	ZINC000159582131	432689143	/nfs/dbraw/zinc/68/91/43/432689143.db2.gz	SMFBTVRMRAGPFJ-GOSISDBHSA-N	1	3	318.461	3.375	10	70		DGIEHO
O[C@H](C[C@@H]1CCCN1CCC[NH+]1CCCCC1)c1ccccc1	ZINC000161384117	432776482	/nfs/dbraw/zinc/77/64/82/432776482.db2.gz	KAWCAHLTBLZYKN-VQTJNVASSA-N	1	3	316.489	3.451	10	70		DGIEHO
O[C@H](C[C@H]1CCCN1CCC[NH+]1CCCCC1)c1ccccc1	ZINC000161384304	432776704	/nfs/dbraw/zinc/77/67/04/432776704.db2.gz	KAWCAHLTBLZYKN-WOJBJXKFSA-N	1	3	316.489	3.451	10	70		DGIEHO
Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCN1CCCCC1	ZINC000161350049	432775067	/nfs/dbraw/zinc/77/50/67/432775067.db2.gz	LXQSBKDAYXCFFD-QGZVFWFLSA-N	1	3	304.482	3.050	10	70		DGIEHO
Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCCN1CCCCC1	ZINC000161350049	432775069	/nfs/dbraw/zinc/77/50/69/432775069.db2.gz	LXQSBKDAYXCFFD-QGZVFWFLSA-N	1	3	304.482	3.050	10	70		DGIEHO
O[C@@H](C[C@@H]1CCCN1CCC[NH+]1CCCCC1)c1ccccc1	ZINC000161384222	432776257	/nfs/dbraw/zinc/77/62/57/432776257.db2.gz	KAWCAHLTBLZYKN-PMACEKPBSA-N	1	3	316.489	3.451	10	70		DGIEHO
Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCN1CCCCC1	ZINC000161349925	432774951	/nfs/dbraw/zinc/77/49/51/432774951.db2.gz	LXQSBKDAYXCFFD-KRWDZBQOSA-N	1	3	304.482	3.050	10	70		DGIEHO
Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCCN1CCCCC1	ZINC000161349925	432774954	/nfs/dbraw/zinc/77/49/54/432774954.db2.gz	LXQSBKDAYXCFFD-KRWDZBQOSA-N	1	3	304.482	3.050	10	70		DGIEHO