smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2sc(/C=C/c3ccc(N(C)C)cc3)[n+](C)c2c1	ZINC000073197130	191290999	/nfs/dbraw/zinc/29/09/99/191290999.db2.gz	CBMSMXNCLRDWKM-UHFFFAOYSA-N	1	0	309.458	4.271	1	10		DICFRO
CN(C)c1ccc(/C=C/c2sc3ccc(F)cc3[n+]2C)cc1	ZINC000082155621	192361715	/nfs/dbraw/zinc/36/17/15/192361715.db2.gz	KQYOEQYFGHCPDP-UHFFFAOYSA-N	1	0	313.421	4.101	1	10		DICFRO
O=c1ccc(Nc2c3ccccc3[nH+]c3ccccc32)ccc1O	ZINC000005162763	181212535	/nfs/dbraw/zinc/21/25/35/181212535.db2.gz	STRQXZGMERNEEG-UHFFFAOYSA-N	1	0	314.344	4.197	1	10		DICFRO
C[n+]1c2ccccc2c(Nc2ccccc2)c2ccc(N)cc21	ZINC000055894712	184000004	/nfs/dbraw/zinc/00/00/04/184000004.db2.gz	MXFUBSQQHXJVLV-UHFFFAOYSA-O	1	0	300.385	4.143	1	10		DICFRO
Cc1c(C[NH2+]C2CCCCC2)oc2c1C(=O)C(=O)c1ccccc1-2	ZINC000169353280	197745016	/nfs/dbraw/zinc/74/50/16/197745016.db2.gz	WQAYVQMOYOURCP-UHFFFAOYSA-N	1	0	323.392	4.056	1	10		DICFRO
Oc1ccc(CC[NH2+]C(c2ccccc2)c2ccccc2)cc1O	ZINC000169340352	197743229	/nfs/dbraw/zinc/74/32/29/197743229.db2.gz	MOUKYMWUJSVBHB-UHFFFAOYSA-N	1	0	319.404	4.020	1	10		DICFRO
Cc1[nH]c2ccccc2c1/C=C/c1cc(N)c2ccccc2[n+]1C	ZINC000096910888	185390871	/nfs/dbraw/zinc/39/08/71/185390871.db2.gz	LMTNURHHYFAUOB-UHFFFAOYSA-O	1	0	314.412	4.207	1	10		DICFRO
CCN(CC)c1ccc(/C=C/C2=C3C=CC=C[C@@H]3[NH2+]C=C2)cc1	ZINC000072104778	191036460	/nfs/dbraw/zinc/03/64/60/191036460.db2.gz	CDTARHRNGFFSHP-ZRFOIIEFSA-N	1	0	304.437	4.454	1	10		DICFRO
C[n+]1c(/C=C/c2c[nH]c3cc(F)ccc23)cc(N)c2ccccc21	ZINC000096914081	185391319	/nfs/dbraw/zinc/39/13/19/185391319.db2.gz	MUXFJLGZCHCQMT-UHFFFAOYSA-O	1	0	318.375	4.037	1	10		DICFRO
CCN(CC)c1ccc(/C=C/C2=C3C=CC=C[C@H]3[NH2+]C=C2)cc1	ZINC000072104779	191036530	/nfs/dbraw/zinc/03/65/30/191036530.db2.gz	CDTARHRNGFFSHP-VZOQVYJPSA-N	1	0	304.437	4.454	1	10		DICFRO
Cc1ccc2c(c1)sc(/C=C/c1ccc(N(C)C)cc1)[n+]2C	ZINC000073197493	191291626	/nfs/dbraw/zinc/29/16/26/191291626.db2.gz	JRLFZSGKIAWSGP-UHFFFAOYSA-N	1	0	309.458	4.271	1	10		DICFRO
CN1c2ccccc2O/C1=C\C=C/c1sc2ccccc2[n+]1C	ZINC000042683286	183296372	/nfs/dbraw/zinc/29/63/72/183296372.db2.gz	XIYPTYYZZKPNFQ-UHFFFAOYSA-N	1	0	321.425	4.109	1	10		DICFRO
CN(C)c1ccc(/C=C/c2cc(-c3ccccc3)o[n+]2C)cc1	ZINC000005881508	181292654	/nfs/dbraw/zinc/29/26/54/181292654.db2.gz	LXQSWUJGWRAJST-UHFFFAOYSA-N	1	0	305.401	4.008	1	10		DICFRO