smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)[N-]S(=O)(=O)c1ccc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)nc1	ZINC001164940668	721932696	/nfs/dbraw/zinc/93/26/96/721932696.db2.gz	WHCWRGZIHMAXQB-UHFFFAOYSA-N	-1	1	458.584	2.086	20	0		JEADMM
O=S(=O)([N-]c1cccc(F)c1)c1cccnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164744642	720782597	/nfs/dbraw/zinc/78/25/97/720782597.db2.gz	RTDZZLGRJBDVEO-OALUTQOASA-N	-1	1	470.530	2.153	20	0		JEADMM
O=S(=O)([N-]c1cccc(F)c1)c1cccnc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164744648	720782627	/nfs/dbraw/zinc/78/26/27/720782627.db2.gz	RTDZZLGRJBDVEO-RTBURBONSA-N	-1	1	470.530	2.153	20	0		JEADMM
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1	ZINC000009715540	562956904	/nfs/dbraw/zinc/95/69/04/562956904.db2.gz	CRMAGJYFEKOWJN-NRFANRHFSA-N	-1	1	494.529	2.171	20	0		JEADMM
O=S(=O)([N-]c1cccc(F)c1)c1cccnc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164744645	720782571	/nfs/dbraw/zinc/78/25/71/720782571.db2.gz	RTDZZLGRJBDVEO-RBUKOAKNSA-N	-1	1	470.530	2.153	20	0		JEADMM
CN1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nnc4C(=O)[O-])C3)O2)CC1	ZINC001164884265	721452335	/nfs/dbraw/zinc/45/23/35/721452335.db2.gz	AATWPASEPIXJPT-KUHUBIRLSA-N	-1	1	459.925	2.139	20	0		JEADMM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@@H]2OCCN(C)[C@H]2C1	ZINC001164674793	719442813	/nfs/dbraw/zinc/44/28/13/719442813.db2.gz	XCRZCRVHTYDIIR-OALUTQOASA-N	-1	1	457.531	2.397	20	0		JEADMM
CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nnc4C(=O)[O-])C3)O2)CC1	ZINC001164884264	721452577	/nfs/dbraw/zinc/45/25/77/721452577.db2.gz	AATWPASEPIXJPT-IFXJQAMLSA-N	-1	1	459.925	2.139	20	0		JEADMM
CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nnc4C(=O)[O-])C3)O2)CC1	ZINC001164884263	721452727	/nfs/dbraw/zinc/45/27/27/721452727.db2.gz	AATWPASEPIXJPT-AUUYWEPGSA-N	-1	1	459.925	2.139	20	0		JEADMM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@H]2OCCN(C)[C@H]2C1	ZINC001164674794	719442685	/nfs/dbraw/zinc/44/26/85/719442685.db2.gz	XCRZCRVHTYDIIR-RBUKOAKNSA-N	-1	1	457.531	2.397	20	0		JEADMM
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nnc4C(=O)[O-])C3)O2)CC1	ZINC001164884266	721452490	/nfs/dbraw/zinc/45/24/90/721452490.db2.gz	AATWPASEPIXJPT-LIRRHRJNSA-N	-1	1	459.925	2.139	20	0		JEADMM
CN(C[C@@H](O)CO)C(F)(F)c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Cl)c1	ZINC001164667502	719366297	/nfs/dbraw/zinc/36/62/97/719366297.db2.gz	JMNIFBBHQQKUPB-CYBMUJFWSA-N	-1	1	472.901	2.418	20	0		JEADMM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@H]2OCCN(C)[C@@H]2C1	ZINC001164674797	719443167	/nfs/dbraw/zinc/44/31/67/719443167.db2.gz	XCRZCRVHTYDIIR-RTBURBONSA-N	-1	1	457.531	2.397	20	0		JEADMM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@@H]2[C@H](C1)OCCN2C	ZINC001164674791	719444079	/nfs/dbraw/zinc/44/40/79/719444079.db2.gz	XCRZCRVHTYDIIR-MOPGFXCFSA-N	-1	1	457.531	2.397	20	0		JEADMM
COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1	ZINC000009715537	562956849	/nfs/dbraw/zinc/95/68/49/562956849.db2.gz	CRMAGJYFEKOWJN-OAQYLSRUSA-N	-1	1	494.529	2.171	20	0		JEADMM
CN(C[C@H](O)CO)C(F)(F)c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Cl)c1	ZINC001164667503	719366149	/nfs/dbraw/zinc/36/61/49/719366149.db2.gz	JMNIFBBHQQKUPB-ZDUSSCGKSA-N	-1	1	472.901	2.418	20	0		JEADMM
O=S(=O)([N-]c1cccc(F)c1)c1cccnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164744633	720784116	/nfs/dbraw/zinc/78/41/16/720784116.db2.gz	RTDZZLGRJBDVEO-MOPGFXCFSA-N	-1	1	470.530	2.153	20	0		JEADMM
COc1cccc(OC)c1CN1CCC(N(C)c2ccc(S(=O)(=O)[N-]C(C)=O)cn2)CC1	ZINC001165030862	721844123	/nfs/dbraw/zinc/84/41/23/721844123.db2.gz	KTBLNHXOTSVILX-UHFFFAOYSA-N	-1	1	462.572	2.024	20	0		JEADMM