smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)Cc1cc(Nc2c3[nH]c4ccccc4c3[nH+]c3ccccc32)ccc1O	ZINC000001631689	557277564	/nfs/dbraw/zinc/27/75/64/557277564.db2.gz	MAHWWRJECIXNCN-UHFFFAOYSA-N	2	1	410.521	6.160	40	10		HKCBMP
CC[NH+](CC)Cc1cc(Nc2c3c([nH+]c4ccccc42)c2ccccc2n3C)ccc1O	ZINC000001631690	557277479	/nfs/dbraw/zinc/27/74/79/557277479.db2.gz	RUZNUFSUWSRIHK-UHFFFAOYSA-N	2	1	424.548	6.171	40	10	in-vivo	HKCBMP
CC(C)(c1ccccc1)c1cc(C[NH+]2CCCCC2)c(O)c(C[NH+]2CCCCC2)c1	ZINC000001670263	569143948	/nfs/dbraw/zinc/14/39/48/569143948.db2.gz	YXOUVYWIPMJZHD-UHFFFAOYSA-N	2	1	406.614	5.690	40	10		HKCBMP
CCCC[N@@H+](CCO)Cc1cc(Nc2c3ccccc3[nH+]c3ccccc32)ccc1O	ZINC000004366367	557547536	/nfs/dbraw/zinc/54/75/36/557547536.db2.gz	KWXCOQPYBVERDB-UHFFFAOYSA-N	2	1	415.537	5.432	40	10		HKCBMP
CC[NH+](CC)Cc1cc(Nc2c3ccccc3[nH+]c3c(OC)cccc23)ccc1O	ZINC000004830962	557603901	/nfs/dbraw/zinc/60/39/01/557603901.db2.gz	JCCXAKAPPHNLOS-UHFFFAOYSA-N	2	1	401.510	5.688	40	10		HKCBMP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2c1	ZINC000005519367	557659466	/nfs/dbraw/zinc/65/94/66/557659466.db2.gz	WDOZYYCIYOXKKX-QMHKHESXSA-N	2	1	409.961	5.726	40	10		HKCBMP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NC[C@H]3CCC[N@H+]4CCCC[C@H]34)c2c1	ZINC000005519368	557659474	/nfs/dbraw/zinc/65/94/74/557659474.db2.gz	WDOZYYCIYOXKKX-WAIKUNEKSA-N	2	1	409.961	5.726	40	10		HKCBMP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2c1	ZINC000005519369	557659373	/nfs/dbraw/zinc/65/93/73/557659373.db2.gz	RRPCHVOTWQFQCR-BXKMTCNYSA-N	2	1	423.988	6.117	40	10		HKCBMP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCC[C@H]3CCC[N@H+]4CCCC[C@H]34)c2c1	ZINC000005519371	557659458	/nfs/dbraw/zinc/65/94/58/557659458.db2.gz	RRPCHVOTWQFQCR-MZNJEOGPSA-N	2	1	423.988	6.117	40	10		HKCBMP
CCCCCC[NH2+]CCCNc1c2cc(OC)ccc2[nH+]c2cccc([N+](=O)[O-])c21	ZINC000005782634	557674103	/nfs/dbraw/zinc/67/41/03/557674103.db2.gz	ULFUFZLCZTZFOI-UHFFFAOYSA-N	2	1	410.518	5.277	40	10		HKCBMP
CCc1[nH+]ccn1Cc1cc(C[NH2+]C2(c3ccccc3OC)CCCC2)ccc1OC	ZINC000019523667	558904940	/nfs/dbraw/zinc/90/49/40/558904940.db2.gz	BGWIHIZDHSROOM-UHFFFAOYSA-N	2	1	419.569	5.070	40	10		HKCBMP