smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+]1(CC)CCC([N+]2(CC)CCCCC2)CC1	ZINC000823478843	717191953	/nfs/dbraw/zinc/19/19/53/717191953.db2.gz	KLLGRVRLMKFUDN-UHFFFAOYSA-N	2	0	254.462	3.026	50	5		CGBARP
C[N@H+]1C2=CCC[C@H](CC[N+](C)(C)C)[C@H]1CCCC2	ZINC000104277568	370342423	/nfs/dbraw/zinc/34/24/23/370342423.db2.gz	OMBLMIDOBXNZNL-GDBMZVCRSA-N	2	0	251.438	3.251	50	5		CGBARP
C[N+](C)(C)CCCCCCC[N+]1(C)CCCCC1	ZINC000585152290	346726078	/nfs/dbraw/zinc/72/60/78/346726078.db2.gz	LCYOHRVBCRGDNJ-UHFFFAOYSA-N	2	0	256.478	3.274	50	5		CGBARP
CC(C)C[N+](C)(C)CCCC[N+](C)(C)CC(C)C	ZINC000606422274	348181287	/nfs/dbraw/zinc/18/12/87/348181287.db2.gz	CAEIVFUSTSDZDR-UHFFFAOYSA-N	2	0	258.494	3.231	50	5		CGBARP
CC[N@@+](C)(CC[N+](C)(C)C)Cc1cc2ccccc2o1	ZINC000239402804	189901721	/nfs/dbraw/zinc/90/17/21/189901721.db2.gz	REFUJEKPQBBTHZ-IBGZPJMESA-N	2	0	276.424	3.106	50	5		CGBARP
CC[N@+](C)(CC[N+](C)(C)C)Cc1cc2ccccc2o1	ZINC000239402805	376773713	/nfs/dbraw/zinc/77/37/13/376773713.db2.gz	REFUJEKPQBBTHZ-LJQANCHMSA-N	2	0	276.424	3.106	50	5		CGBARP
CC[N+](C)(C)CC[N@@+](C)(CC)Cc1cc2ccccc2o1	ZINC000245231551	376800961	/nfs/dbraw/zinc/80/09/61/376800961.db2.gz	GATRIJUKKNLVDE-HXUWFJFHSA-N	2	0	290.451	3.496	50	5		CGBARP
C[N+]1(CC2CCC(C[N+]3(C)CCCC3)CC2)CCCC1	ZINC000526051546	260762397	/nfs/dbraw/zinc/76/23/97/260762397.db2.gz	AJCIISQABIOCSE-UHFFFAOYSA-N	2	0	280.500	3.274	50	5		CGBARP
c1ccc(C[N+]23CC[N+](Cc4ccccc4)(CC2)CC3)cc1	ZINC000001649016	368426574	/nfs/dbraw/zinc/42/65/74/368426574.db2.gz	QDBSMKFBIMHREN-UHFFFAOYSA-N	2	0	294.442	3.048	50	5		CGBARP
C[N@@H+]1[C@H]2CCCC[C@H]1[C@@H](CC[N+](C)(C)C)CCC2	ZINC000101042621	370287172	/nfs/dbraw/zinc/28/71/72/370287172.db2.gz	RPCGKTNVLRSHRQ-PMPSAXMXSA-N	2	0	253.454	3.126	50	5		CGBARP
CCCC[N+](C)(C)CCSCC[N+](C)(C)CCCC	ZINC000003123310	169858281	/nfs/dbraw/zinc/85/82/81/169858281.db2.gz	AACJVMIWXXWKCG-UHFFFAOYSA-N	2	0	290.561	3.473	50	5		CGBARP
c1ccc2c(c1)CC[N+]21CC[N+]2(CCc3ccccc32)CC1	ZINC000001234752	368404509	/nfs/dbraw/zinc/40/45/09/368404509.db2.gz	QXOVUYIDCBLEGH-UHFFFAOYSA-N	2	0	292.426	3.127	50	5		CGBARP
C[N@@H+]1[C@H]2CCCC[C@H]1[C@H](CC[N+](C)(C)C)CCC2	ZINC000216341219	376162859	/nfs/dbraw/zinc/16/28/59/376162859.db2.gz	RPCGKTNVLRSHRQ-JYJNAYRXSA-N	2	0	253.454	3.126	50	5		CGBARP
CC[N+](C)(C)CC[N@+](C)(CC)Cc1cc2ccccc2o1	ZINC000245231550	523633027	/nfs/dbraw/zinc/63/30/27/523633027.db2.gz	GATRIJUKKNLVDE-FQEVSTJZSA-N	2	0	290.451	3.496	50	5		CGBARP
CCC[N+]1(CCCCCC[N+](C)(C)C)CCCC1	ZINC000606422214	348180952	/nfs/dbraw/zinc/18/09/52/348180952.db2.gz	LCJPVLIANDHZQH-UHFFFAOYSA-N	2	0	256.478	3.274	50	5		CGBARP