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)CCCO[C@H]1C[C@H](C)CC[C@@H]1C(C)C	ZINC000003644935	717097033	/nfs/dbraw/zinc/09/70/33/717097033.db2.gz	XIBXXUYZWIKLGL-QRVBRYPASA-N	1	0	298.535	4.730	1	5		CJBFRO
CC[N+](CC)(CC)CCCO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	ZINC000004223071	169945261	/nfs/dbraw/zinc/94/52/61/169945261.db2.gz	XIBXXUYZWIKLGL-OTWHNJEPSA-N	1	0	298.535	4.730	1	5		CJBFRO
C[n+]1c2c3ccccc3sc2c(Cl)c2ccccc21	ZINC000013555511	170561534	/nfs/dbraw/zinc/56/15/34/170561534.db2.gz	PBNDNRCHTBPHMM-UHFFFAOYSA-N	1	0	284.791	4.686	1	5		CJBFRO
C[n+]1ccc(/C=C/c2cc3ccccc3c3ccccc23)cc1	ZINC000026837034	171500863	/nfs/dbraw/zinc/50/08/63/171500863.db2.gz	CUIDVHMKFCRIHY-ZHACJKMWSA-N	1	0	296.393	4.988	1	5		CJBFRO
C[C@@H](C[C@H]1C=CC=CC1)[N+](C)(C)CCCc1ccccc1	ZINC000028229364	717114930	/nfs/dbraw/zinc/11/49/30/717114930.db2.gz	XWDYEDYTJDVQAZ-ICSRJNTNSA-N	1	0	284.467	4.607	1	5		CJBFRO
C[C@@H](C[C@@H]1C=CC=CC1)[N+](C)(C)CCCc1ccccc1	ZINC000028229368	717115273	/nfs/dbraw/zinc/11/52/73/717115273.db2.gz	XWDYEDYTJDVQAZ-AZUAARDMSA-N	1	0	284.467	4.607	1	5		CJBFRO
c1csc([N+]2(C3CCCCC3)CCCCC2)c1	ZINC000028764232	717115822	/nfs/dbraw/zinc/11/58/22/717115822.db2.gz	AUBRYWWVYVMVNZ-UHFFFAOYSA-N	1	0	250.431	4.572	1	5		CJBFRO
C[n+]1c2c(cc3c(Cl)cccc31)sc1ccccc12	ZINC000066156863	525397672	/nfs/dbraw/zinc/39/76/72/525397672.db2.gz	KXKYKZRBZQAXHI-UHFFFAOYSA-N	1	0	284.791	4.686	1	5		CJBFRO
C[n+]1c2c(cc3ccccc31)sc1c2cccc1Cl	ZINC000066157307	525397402	/nfs/dbraw/zinc/39/74/02/525397402.db2.gz	CIONRCJSEKSYPW-UHFFFAOYSA-N	1	0	284.791	4.686	1	5		CJBFRO
CC1(C)c2ccccc2[NH+]=C1/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000096934716	185132798	/nfs/dbraw/zinc/13/27/98/185132798.db2.gz	DWYUAQGQIPDMSK-FMIVXFBMSA-N	1	0	292.338	4.672	1	5		CJBFRO
CC1(C)c2ccccc2[NH+]=C1/C=C/c1cccc([N+](=O)[O-])c1	ZINC000096934719	185132994	/nfs/dbraw/zinc/13/29/94/185132994.db2.gz	SLJQIONPQDBPRH-ZHACJKMWSA-N	1	0	292.338	4.672	1	5		CJBFRO
CC1(C)c2ccccc2[NH+]=C1/C=C/c1ccccc1[N+](=O)[O-]	ZINC000096934721	185133314	/nfs/dbraw/zinc/13/33/14/185133314.db2.gz	QLBDBWAZLVBJNV-VAWYXSNFSA-N	1	0	292.338	4.672	1	5		CJBFRO
C[N@@+]1(c2ccccc2)C=C(c2ccccc2)SC1=S	ZINC000254141600	717170330	/nfs/dbraw/zinc/17/03/30/717170330.db2.gz	CSSKYFKCBGDURQ-KRWDZBQOSA-N	1	0	284.429	4.654	1	5		CJBFRO
C[N@+]1(c2ccccc2)C=C(c2ccccc2)SC1=S	ZINC000254141601	717170243	/nfs/dbraw/zinc/17/02/43/717170243.db2.gz	CSSKYFKCBGDURQ-QGZVFWFLSA-N	1	0	284.429	4.654	1	5		CJBFRO