smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1	ZINC000044527673	343474142	/nfs/dbraw/zinc/47/41/42/343474142.db2.gz	QKMAUYKLPGKCBF-SNVBAGLBSA-N	2	0	254.761	2.216	40	10		CECBRP
CN(C)c1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1	ZINC000015423990	170665874	/nfs/dbraw/zinc/66/58/74/170665874.db2.gz	OJDTUHPRMJZKCB-UHFFFAOYSA-N	2	0	261.413	2.313	40	10		CECBRP
[NH3+]CC1CC[NH+](Cc2cc(Cl)ccc2O)CC1	ZINC000044511743	343473328	/nfs/dbraw/zinc/47/33/28/343473328.db2.gz	DTVMLEDSTVTOND-UHFFFAOYSA-N	2	0	254.761	2.216	40	10		CECBRP
[NH3+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1	ZINC000044527674	343474315	/nfs/dbraw/zinc/47/43/15/343474315.db2.gz	QKMAUYKLPGKCBF-JTQLQIEISA-N	2	0	254.761	2.216	40	10		CECBRP
Oc1cc(C[NH+]2CCCC2)c(O)cc1C[NH+]1CCCC1	ZINC000001571034	361209256	/nfs/dbraw/zinc/20/92/56/361209256.db2.gz	BIFNUSXEHXXGNB-UHFFFAOYSA-N	2	0	276.380	2.289	40	10		CECBRP
OCC[NH2+]CCNc1c2ccccc2[nH+]c2ccccc21	ZINC000004428560	361316591	/nfs/dbraw/zinc/31/65/91/361316591.db2.gz	LIJGPRIUWWWLJZ-UHFFFAOYSA-N	2	0	281.359	2.382	40	10		CECBRP
[NH3+]CC1CC[NH+](Cc2cc(Br)ccc2O)CC1	ZINC000219451239	394460200	/nfs/dbraw/zinc/46/02/00/394460200.db2.gz	UCWKUOJWFIFRTE-UHFFFAOYSA-N	2	0	299.212	2.325	40	10		CECBRP
[NH3+]Cc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000011757255	361363762	/nfs/dbraw/zinc/36/37/62/361363762.db2.gz	HNEZRBVEGHEGSL-UHFFFAOYSA-N	2	0	281.403	2.468	40	10		CECBRP