smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(Nc2cc(C)[nH+]c3ccccc23)c1	ZINC000000279024	179158654	/nfs/dbraw/zinc/15/86/54/179158654.db2.gz	WXONCCZMWXIBBL-UHFFFAOYSA-N	1	0	248.329	4.595	40	0		BJABRO
C1CCC(C2CCC([NH+]3CCCCC3)CC2)CC1	ZINC000001607299	383911686	/nfs/dbraw/zinc/91/16/86/383911686.db2.gz	BWDXQLDQJTUAAM-UHFFFAOYSA-N	1	0	249.442	4.611	40	0		BJABRO
Cc1c(C)c(C[NH+](C)C)c(C(C)C)cc1C(C)C	ZINC000001664084	342707434	/nfs/dbraw/zinc/70/74/34/342707434.db2.gz	XVLCISCLZFHRLL-UHFFFAOYSA-N	1	0	247.426	4.612	40	0		BJABRO
CCCCCC1=C(C)C=C(C)C[C@@]1(C)C[NH+](C)C	ZINC000001664086	383918269	/nfs/dbraw/zinc/91/82/69/383918269.db2.gz	BGYUFWUMCFLEIK-KRWDZBQOSA-N	1	0	249.442	4.801	40	0		BJABRO
C(CC1CCCCC1)[NH2+]CCC1CCCCC1	ZINC000001713254	342710763	/nfs/dbraw/zinc/71/07/63/342710763.db2.gz	FMMYWCDTBMIIPS-UHFFFAOYSA-N	1	0	237.431	4.517	40	0		BJABRO
CCCCC(CC)(CCCC)CC[NH+](C)C	ZINC000001730870	168630981	/nfs/dbraw/zinc/63/09/81/168630981.db2.gz	UIDDZCBQHDHDNW-UHFFFAOYSA-N	1	0	227.436	4.715	40	0		BJABRO
CCCCCC1=C(C)C=C(C)C[C@]1(C)C[NH+](C)C	ZINC000002048474	342715620	/nfs/dbraw/zinc/71/56/20/342715620.db2.gz	BGYUFWUMCFLEIK-QGZVFWFLSA-N	1	0	249.442	4.801	40	0		BJABRO
c1ccc(-c2[s+]ccc3ccccc32)cc1	ZINC000005395706	183378847	/nfs/dbraw/zinc/37/88/47/183378847.db2.gz	DOOYOWXVQJSHAG-UHFFFAOYSA-N	1	0	223.320	4.849	40	0		BJABRO
CCC[C@@H]([NH3+])c1ccc(C2CCCCC2)cc1	ZINC000021505629	169393852	/nfs/dbraw/zinc/39/38/52/169393852.db2.gz	NSBSRWPRIJKWJW-MRXNPFEDSA-N	1	0	231.383	4.534	40	0		BJABRO
CCC[C@H]([NH3+])c1ccc(C2CCCCC2)cc1	ZINC000021505630	343014475	/nfs/dbraw/zinc/01/44/75/343014475.db2.gz	NSBSRWPRIJKWJW-INIZCTEOSA-N	1	0	231.383	4.534	40	0		BJABRO
CCCCC/C(=C\c1ccccc1)C[NH2+]C(C)C	ZINC000071976831	384191353	/nfs/dbraw/zinc/19/13/53/384191353.db2.gz	PLPQYDAYKDNROI-GHRIWEEISA-N	1	0	245.410	4.648	40	0		BJABRO
CC(C)C[PH+](C(C)(C)C)C(C)(C)C	ZINC000096543732	387037568	/nfs/dbraw/zinc/03/75/68/387037568.db2.gz	SGLINYPFAYPYIM-UHFFFAOYSA-N	1	0	202.322	4.721	40	0		BJABRO
C#[N+]c1cc(C)ccc1Sc1ccccc1	ZINC000100501288	183317362	/nfs/dbraw/zinc/31/73/62/183317362.db2.gz	DZODKPGYLGREKJ-UHFFFAOYSA-N	1	0	225.316	4.697	40	0		BJABRO
C#[N+]c1ccc(Oc2cc(C)cc(C)c2)cc1	ZINC000100502063	183317153	/nfs/dbraw/zinc/31/71/53/183317153.db2.gz	CGVQXRXRYYOBDZ-UHFFFAOYSA-N	1	0	223.275	4.647	40	0		BJABRO
C/C=C/C[PH+](C(C)(C)C)C(C)(C)C	ZINC000169806162	583947323	/nfs/dbraw/zinc/94/73/23/583947323.db2.gz	UOOODANZONJOKI-CMDGGOBGSA-N	1	0	200.306	4.641	40	0		BJABRO
CCCC[Si](C)(C)[NH2+][Si](C)(C)CCCC	ZINC000195757193	169017111	/nfs/dbraw/zinc/01/71/11/169017111.db2.gz	GXGDLEBZHWVDTF-UHFFFAOYSA-N	1	0	245.559	4.586	40	0		BJABRO
CC(C)(C)[PH+]([Si](C)(C)C)[Si](C)(C)C	ZINC000195800921	385489264	/nfs/dbraw/zinc/48/92/64/385489264.db2.gz	ZRCWXWUJAZXNPP-UHFFFAOYSA-N	1	0	234.472	4.937	40	0		BJABRO
CC(C)(C)[Si](C)(C)[NH2+][Si](C)(C)C(C)(C)C	ZINC000196103787	259367069	/nfs/dbraw/zinc/36/70/69/259367069.db2.gz	ZBLRLJUOIRWSCE-UHFFFAOYSA-N	1	0	245.559	4.586	40	0		BJABRO
CC(C)=CCC/C(C)=C/C[C@@H]([NH3+])C1CCCCC1	ZINC000225749791	519402987	/nfs/dbraw/zinc/40/29/87/519402987.db2.gz	TYKZEBDQWJLYGF-OKACTXMXSA-N	1	0	249.442	4.977	40	0		BJABRO
CC(C)=CCC/C(C)=C/C[C@H]([NH3+])C1CCCCC1	ZINC000225749814	519403556	/nfs/dbraw/zinc/40/35/56/519403556.db2.gz	TYKZEBDQWJLYGF-VMEIHUARSA-N	1	0	249.442	4.977	40	0		BJABRO