smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1nc(-c2ccc(C3=NCCN3)cc2)oc1-c1ccc(C2=[NH+]CCN2)cc1	ZINC000006536384	204252676	/nfs/dbraw/zinc/25/26/76/204252676.db2.gz	WPSOPVNFLULSAT-UHFFFAOYSA-N	1	3	357.417	2.708	1	0		FFAFHO
CN(Cc1nc2cccc(CNCC[NH3+])c2[nH]1)[C@@H]1CCCc2cccnc21	ZINC000045255352	205118536	/nfs/dbraw/zinc/11/85/36/205118536.db2.gz	KZTWYBMMGBUMJF-GOSISDBHSA-N	1	3	364.497	2.516	1	0		FFAFHO
CN(Cc1nc2c(cccc2C[NH2+]CCN)[nH]1)[C@@H]1CCCc2cccnc21	ZINC000045255352	205118540	/nfs/dbraw/zinc/11/85/40/205118540.db2.gz	KZTWYBMMGBUMJF-GOSISDBHSA-N	1	3	364.497	2.516	1	0		FFAFHO
O[C@@H]1CN(C2CCN(Cc3ccco3)CC2)CC[C@H]1[NH+]1CCCCCC1	ZINC000096441160	209153763	/nfs/dbraw/zinc/15/37/63/209153763.db2.gz	LPZSBWZIMUQESN-NHCUHLMSSA-N	1	3	361.530	2.555	1	0		FFAFHO
c1cc(N2CCC([NH+]3CCCC3)CC2)ccc1CCN1CC2(COC2)C1	ZINC000103298410	132237299	/nfs/dbraw/zinc/23/72/99/132237299.db2.gz	QWIOJEBVRFCITB-UHFFFAOYSA-N	1	3	355.526	2.626	1	0		FFAFHO
[NH3+]CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1	ZINC000040764379	205081631	/nfs/dbraw/zinc/08/16/31/205081631.db2.gz	QOMHZEDGTJFHRB-UHFFFAOYSA-N	1	3	361.921	2.657	1	0		FFAFHO
CC[NH+](CC)C[C@H](O)CNc1[nH+]cc(C)c2c1c1cc([O-])ccc1n2C	ZINC000005139347	207083636	/nfs/dbraw/zinc/08/36/36/207083636.db2.gz	XYHNANURZLXZDK-OAHLLOKOSA-N	1	3	356.470	2.855	1	0		FFAFHO
COc1cc(C2=NCCN2)ccc1-c1cc2cc(C3=[NH+]CCN3)ccc2o1	ZINC000040938166	211764752	/nfs/dbraw/zinc/76/47/52/211764752.db2.gz	DNMQAMAPWVVIDP-UHFFFAOYSA-N	1	3	360.417	2.808	1	0		FFAFHO
CN(C)CC[C@@](O)(c1ccccc1)[C@@](O)(CC[NH+](C)C)c1ccccc1	ZINC000001629519	210361351	/nfs/dbraw/zinc/36/13/51/210361351.db2.gz	HYNGDQGXSYCJPT-FGZHOGPDSA-N	1	3	356.510	2.665	1	0		FFAFHO
O=C(N1CCCN(C2CCC2)CC1)[C@@]1(Cc2cccc(F)c2)CCC[NH2+]1	ZINC000049115657	221019116	/nfs/dbraw/zinc/01/91/16/221019116.db2.gz	SSJOVOMSMARZBB-NRFANRHFSA-N	1	3	359.489	2.577	1	0		FFAFHO