smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCn1c(=O)c2ccc3c4c(nn3CC[NH+]3CCCCC3)-c3cc([N+](=O)[O-])ccc3-n(c1=O)c42	ZINC000027846940	561885592	/nfs/dbraw/zinc/88/55/92/561885592.db2.gz	GIMLOZSIANGORW-UHFFFAOYSA-N	1	3	503.563	2.438	1	5		KEBFHO
COC(=O)[C@H](Cc1c2ccccc2[nH]c1Sc1ccccc1[N+](=O)[O-])NC(=O)[C@@H](O)[C@@H](N)CCCC[NH3+]	ZINC000027998916	561894241	/nfs/dbraw/zinc/89/42/41/561894241.db2.gz	KTPWMTGCQHSUEQ-JLMWRMLUSA-N	1	3	529.619	2.245	1	5		KEBFHO
COC(=O)[C@H](Cc1c2ccccc2[nH]c1Sc1ccccc1[N+](=O)[O-])NC(=O)[C@H](O)[C@@H](N)CCCC[NH3+]	ZINC000027998922	561894225	/nfs/dbraw/zinc/89/42/25/561894225.db2.gz	KTPWMTGCQHSUEQ-LQBOVUBWSA-N	1	3	529.619	2.245	1	5		KEBFHO
COC(=O)[C@H](Cc1c2ccccc2[nH]c1Sc1ccccc1[N+](=O)[O-])NC(=O)[C@@H](O)[C@H](N)CCCC[NH3+]	ZINC000027999192	561894415	/nfs/dbraw/zinc/89/44/15/561894415.db2.gz	KTPWMTGCQHSUEQ-LZNRXBQRSA-N	1	3	529.619	2.245	1	5		KEBFHO
COC(=O)[C@@H](Cc1c2ccccc2[nH]c1Sc1ccccc1[N+](=O)[O-])NC(=O)[C@@H](O)[C@H](N)CCCC[NH3+]	ZINC000028000417	561894574	/nfs/dbraw/zinc/89/45/74/561894574.db2.gz	KTPWMTGCQHSUEQ-JUXOCIIHSA-N	1	3	529.619	2.245	1	5		KEBFHO
COC(=O)[C@@H](Cc1c2ccccc2[nH]c1Sc1ccccc1[N+](=O)[O-])NC(=O)[C@H](O)[C@H](N)CCCC[NH3+]	ZINC000028000422	561894523	/nfs/dbraw/zinc/89/45/23/561894523.db2.gz	KTPWMTGCQHSUEQ-SFGWALBWSA-N	1	3	529.619	2.245	1	5		KEBFHO
COC(=O)[C@@H](Cc1c2ccccc2[nH]c1Sc1ccccc1[N+](=O)[O-])NC(=O)[C@H](O)[C@@H](N)CCCC[NH3+]	ZINC000028005707	561895486	/nfs/dbraw/zinc/89/54/86/561895486.db2.gz	KTPWMTGCQHSUEQ-LRXVAGHRSA-N	1	3	529.619	2.245	1	5		KEBFHO
O=C(CCN1CCC(O)CC1)Nc1ccc2c(c1)[nH]c1cc(NC(=O)CC[NH+]3CCC(O)CC3)ccc1c2=O	ZINC000028396569	561923167	/nfs/dbraw/zinc/92/31/67/561923167.db2.gz	BYVQQPJORNGETP-UHFFFAOYSA-N	1	3	535.645	2.252	1	5		KEBFHO
O=C(CCN1CCC(O)CC1)Nc1ccc2[nH]c3ccc(NC(=O)CC[NH+]4CCC(O)CC4)cc3c(=O)c2c1	ZINC000028456133	561923661	/nfs/dbraw/zinc/92/36/61/561923661.db2.gz	BKMWOFREENGXSB-UHFFFAOYSA-N	1	3	535.645	2.252	1	5		KEBFHO