smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccc2)cc1	ZINC000102520564	130173084	/nfs/dbraw/zinc/17/30/84/130173084.db2.gz	FAUUSPOFKRQHOJ-MYXKAAJQSA-N	1	2	462.546	3.395	10	30		JGEELO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccncc2)cc1	ZINC000102704846	130250148	/nfs/dbraw/zinc/25/01/48/130250148.db2.gz	RLGXUGJAMNHBFV-UGUGFTGJSA-N	1	2	465.550	3.013	10	30		JGEELO
O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000033411758	527629148	/nfs/dbraw/zinc/62/91/48/527629148.db2.gz	RHZOJQDQSUJMHP-SZIFGRNDSA-N	1	2	477.517	3.295	10	30		JGEELO
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccncc2)cc1	ZINC000102489030	130142825	/nfs/dbraw/zinc/14/28/25/130142825.db2.gz	RSYAIBACEVODIC-FEYWKWKCSA-N	1	2	465.550	3.014	10	30		JGEELO
Cc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)o1	ZINC000102526228	130178703	/nfs/dbraw/zinc/17/87/03/130178703.db2.gz	LWPRJZXNYQXNPR-MYXKAAJQSA-N	1	2	490.560	3.226	10	30		JGEELO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccncc2)cc1	ZINC000102704844	130250191	/nfs/dbraw/zinc/25/01/91/130250191.db2.gz	RLGXUGJAMNHBFV-FEYWKWKCSA-N	1	2	465.550	3.013	10	30		JGEELO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102437932	536561464	/nfs/dbraw/zinc/56/14/64/536561464.db2.gz	QWWUJFJYUVWCCM-VFJWVMJUSA-N	1	2	470.953	3.493	10	30		JGEELO
C=CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1	ZINC000102542289	130198124	/nfs/dbraw/zinc/19/81/24/130198124.db2.gz	BSSNBWNOUCYLHJ-QQYUXEJHSA-N	1	2	462.546	3.395	10	30		JGEELO
O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000033411757	527629345	/nfs/dbraw/zinc/62/93/45/527629345.db2.gz	RHZOJQDQSUJMHP-KGUVVTLUSA-N	1	2	477.517	3.295	10	30		JGEELO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccc2)cc1	ZINC000102520571	130173098	/nfs/dbraw/zinc/17/30/98/130173098.db2.gz	FAUUSPOFKRQHOJ-QQYUXEJHSA-N	1	2	462.546	3.395	10	30		JGEELO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102437940	536561834	/nfs/dbraw/zinc/56/18/34/536561834.db2.gz	QWWUJFJYUVWCCM-RKKARLDVSA-N	1	2	470.953	3.493	10	30		JGEELO
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccncc2)cc1	ZINC000102489038	130142959	/nfs/dbraw/zinc/14/29/59/130142959.db2.gz	RSYAIBACEVODIC-UGUGFTGJSA-N	1	2	465.550	3.014	10	30		JGEELO
Cc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)o1	ZINC000102526224	130178716	/nfs/dbraw/zinc/17/87/16/130178716.db2.gz	LWPRJZXNYQXNPR-QQYUXEJHSA-N	1	2	490.560	3.226	10	30		JGEELO
C=CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1	ZINC000102542295	130198225	/nfs/dbraw/zinc/19/82/25/130198225.db2.gz	BSSNBWNOUCYLHJ-MYXKAAJQSA-N	1	2	462.546	3.395	10	30		JGEELO