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+](CC)(CC)CCCCCCCC[N+](CC)(CC)Cc1cc2ccccc2o1	ZINC000004424985	558543945	/nfs/dbraw/zinc/54/39/45/558543945.db2.gz	UUQOFJNYGDPXSN-UHFFFAOYSA-N	2	0	416.694	7.007	50	5		HKBARP
CC[NH+](CC)CCCSc1c2ccc(N(C)C)cc2[nH+]c2cc(N(C)C)ccc21	ZINC000071766964	558840801	/nfs/dbraw/zinc/84/08/01/558840801.db2.gz	QKWCJRDRBCHTPS-UHFFFAOYSA-N	2	0	410.631	5.344	50	5		HKBARP
CN1c2ccccc2SC1=CC=Cc1cc[n+](CCC[N+](C)(C)C)c2ccccc12	ZINC000078272711	559012152	/nfs/dbraw/zinc/01/21/52/559012152.db2.gz	BBSUOMZZTCYACA-UHFFFAOYSA-N	2	0	417.622	5.253	50	5	in-vitro	HKBARP
CC[N+](C)(CC)CCCn1c2cc(=[NH2+])ccc-2c2ccc(N)cc2c1-c1ccccc1	ZINC000137761386	557647187	/nfs/dbraw/zinc/64/71/87/557647187.db2.gz	ZDWVWKDAWBGPDN-UHFFFAOYSA-N	2	0	413.589	5.351	50	5	in-vivo	HKBARP
c1ccc(C[N+]2(CCCC[N+]3(Cc4ccccc4)CCCCC3)CCCCC2)cc1	ZINC000197039601	717158877	/nfs/dbraw/zinc/15/88/77/717158877.db2.gz	TXGGTEVZSPATMM-UHFFFAOYSA-N	2	0	406.658	6.168	50	5		HKBARP
CC[N+](C)(C)CCCCCCCCCC[N@@+](C)(CC)Cc1cc2ccccc2o1	ZINC000245245619	569370474	/nfs/dbraw/zinc/37/04/74/569370474.db2.gz	FHNUTWQMXPLESD-MUUNZHRXSA-N	2	0	402.667	6.616	50	5		HKBARP
CC[N+](C)(C)CCCCCCCCCC[N@+](C)(CC)Cc1cc2ccccc2o1	ZINC000245245621	569370461	/nfs/dbraw/zinc/37/04/61/569370461.db2.gz	FHNUTWQMXPLESD-NDEPHWFRSA-N	2	0	402.667	6.616	50	5		HKBARP
CC[N+](CC)(CC)CCCCCCCCC[N@@+](C)(CC)Cc1cc2ccccc2o1	ZINC000245246422	569370453	/nfs/dbraw/zinc/37/04/53/569370453.db2.gz	LDIOHXJTIAHYPA-MUUNZHRXSA-N	2	0	416.694	7.007	50	5		HKBARP
CC[N+](CC)(CC)CCCCCCCCC[N@+](C)(CC)Cc1cc2ccccc2o1	ZINC000245246423	569370458	/nfs/dbraw/zinc/37/04/58/569370458.db2.gz	LDIOHXJTIAHYPA-NDEPHWFRSA-N	2	0	416.694	7.007	50	5		HKBARP
C[N+]1(Cc2cc(C[N+]3(C)CCCCC3)cc(C[N+]3(C)CCCCC3)c2)CCCCC1	ZINC000585152240	569029926	/nfs/dbraw/zinc/02/99/26/569029926.db2.gz	FOLYCEUCFIBCLR-UHFFFAOYSA-N	3	0	414.702	5.078	50	5		HKBARP
C(CC[N+]1(CC2CCCCC2)CCCC1)CC[N+]1(CC2CCCCC2)CCCC1	ZINC000820385450	717191639	/nfs/dbraw/zinc/19/16/39/717191639.db2.gz	FUPQCYVCINYDAV-UHFFFAOYSA-N	2	0	404.727	6.539	50	5		HKBARP
C(CC[N+]1(CC2CCCC2)CCCCC1)CC[N+]1(CC2CCCC2)CCCCC1	ZINC000820385487	717192023	/nfs/dbraw/zinc/19/20/23/717192023.db2.gz	IXDHOXXKZVVEOK-UHFFFAOYSA-N	2	0	404.727	6.539	50	5		HKBARP
c1ccc(C[N+]2(CCCCC[N+]3(Cc4ccccc4)CCCCC3)CCCCC2)cc1	ZINC000820385544	717191635	/nfs/dbraw/zinc/19/16/35/717191635.db2.gz	MWECGVKTWIOIBH-UHFFFAOYSA-N	2	0	420.685	6.559	50	5		HKBARP
c1ccc(C[N+]2(CCCCCC[N+]3(Cc4ccccc4)CCCC3)CCCC2)cc1	ZINC000820385579	717191665	/nfs/dbraw/zinc/19/16/65/717191665.db2.gz	XLGMVTXUVDPJOV-UHFFFAOYSA-N	2	0	406.658	6.168	50	5		HKBARP
C(CC[N+]1(CC2CCCCC2)CCCCC1)C[N+]1(CC2CCCCC2)CCCCC1	ZINC000820414937	717191587	/nfs/dbraw/zinc/19/15/87/717191587.db2.gz	GJRMKORBHOROKL-UHFFFAOYSA-N	2	0	418.754	6.929	50	5		HKBARP