smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C[NH+]2CCN(C)CC2)cc(-c2ccccc2F)n1-c1ccc(F)cc1	ZINC000036471942	205018187	/nfs/dbraw/zinc/01/81/87/205018187.db2.gz	UYNMCSUNBARPIQ-UHFFFAOYSA-N	1	1	381.470	4.478	1	10		GICFMO
COc1cccc(O)c1C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2	ZINC000055198807	205145094	/nfs/dbraw/zinc/14/50/94/205145094.db2.gz	JDDWQQMMYFXZHN-QHCPKHFHSA-N	1	1	384.495	4.028	1	10		GICFMO
Cc1c(C[NH+]2CCN(C)CC2)cc(-c2ccc(F)cc2)n1-c1ccccc1F	ZINC000036471724	205017295	/nfs/dbraw/zinc/01/72/95/205017295.db2.gz	VGUVTUBIOVHTDJ-UHFFFAOYSA-N	1	1	381.470	4.478	1	10		GICFMO
O=C(N[C@H]1CCCC[N@H+](Cc2ccccc2O)C1)c1ccc(Cl)c(Cl)c1	ZINC000045228891	205093589	/nfs/dbraw/zinc/09/35/89/205093589.db2.gz	QZZFLIHUQDLOIR-INIZCTEOSA-N	1	1	393.314	4.484	1	10		GICFMO
CN1c2ccccc2Sc2ccc([C@@]3(O)C[N@H+](C)[C@H]4CCCC[C@H]4O3)cc21	ZINC000169307102	136197096	/nfs/dbraw/zinc/19/70/96/136197096.db2.gz	AKAZQQQRHQNSNR-DKZVUGQWSA-N	1	1	382.529	4.337	1	10		GICFMO
CN1c2ccccc2Sc2ccc([C@@]3(O)C[N@@H+](C)[C@H]4CCCC[C@H]4O3)cc21	ZINC000169307102	136197097	/nfs/dbraw/zinc/19/70/97/136197097.db2.gz	AKAZQQQRHQNSNR-DKZVUGQWSA-N	1	1	382.529	4.337	1	10		GICFMO
COc1c2c3c(c(Cl)c1OC)CC[N@H+](C)C[C@@H]3CN2c1ccc(F)cc1	ZINC000028087636	207334562	/nfs/dbraw/zinc/33/45/62/207334562.db2.gz	ZLEMKTFXPSIGOM-GFCCVEGCSA-N	1	1	376.859	4.220	1	10		GICFMO
CCC[N@@H+](CCc1ccc(O)cc1)[C@@H]1CCc2cc(O)c(O)c(Cl)c2C1	ZINC000029347541	207361457	/nfs/dbraw/zinc/36/14/57/207361457.db2.gz	ARGKWWCVRZVNHO-MRXNPFEDSA-N	1	1	375.896	4.269	1	10		GICFMO
CCC[N@@H+](CCc1ccc(O)cc1)[C@H]1CCc2cc(O)c(O)c(Cl)c2C1	ZINC000029347545	207361359	/nfs/dbraw/zinc/36/13/59/207361359.db2.gz	ARGKWWCVRZVNHO-INIZCTEOSA-N	1	1	375.896	4.269	1	10		GICFMO
Cc1c(C[NH+](C)C)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1	ZINC000013762076	210090143	/nfs/dbraw/zinc/09/01/43/210090143.db2.gz	IOUKACTYDLOGHU-UHFFFAOYSA-N	1	1	386.492	4.057	1	10		GICFMO
C[NH+](C)CCOc1cc2oc3c(c2c2ccccc12)C(=O)c1ccccc1C3=O	ZINC000013651668	210076636	/nfs/dbraw/zinc/07/66/36/210076636.db2.gz	LAHXMGXCHZGTHV-UHFFFAOYSA-N	1	1	385.419	4.302	1	10		GICFMO
CCOc1ccc2c(c1)sc1[n+]2C(=O)C(CC)C(=O)N1CC1CCCCC1	ZINC000100980417	211393658	/nfs/dbraw/zinc/39/36/58/211393658.db2.gz	UFBJPODYSKVKAX-INIZCTEOSA-N	1	1	387.525	4.181	1	10		GICFMO
CCOc1ccccc1N1CC[NH+](Cc2cc(Cl)c3cccnc3c2O)CC1	ZINC000084635239	136174962	/nfs/dbraw/zinc/17/49/62/136174962.db2.gz	IGBIEHNQYLOTAL-UHFFFAOYSA-N	1	1	397.906	4.315	1	10		GICFMO
CN1c2ccccc2Sc2ccc([C@]3(O)C[N@H+](C)[C@H]4CCCC[C@H]4O3)cc21	ZINC000169307100	136197111	/nfs/dbraw/zinc/19/71/11/136197111.db2.gz	AKAZQQQRHQNSNR-NBCNXNJRSA-N	1	1	382.529	4.337	1	10		GICFMO
CN1c2ccccc2Sc2ccc([C@]3(O)C[N@@H+](C)[C@H]4CCCC[C@H]4O3)cc21	ZINC000169307100	136197112	/nfs/dbraw/zinc/19/71/12/136197112.db2.gz	AKAZQQQRHQNSNR-NBCNXNJRSA-N	1	1	382.529	4.337	1	10		GICFMO
C[N@H+]1[C@@H]2CC[C@H]1[C@@H](C(=O)OCCc1ccc(N)cc1)[C@@H](c1ccc(Cl)cc1)C2	ZINC000056727920	222027175	/nfs/dbraw/zinc/02/71/75/222027175.db2.gz	VUMBHSIUPKOPEK-CZYKHXBRSA-N	1	1	398.934	4.274	1	10		GICFMO
CN1OC[C@@H]2C[N@@H+](Cc3ccccc3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21	ZINC000072138167	222211528	/nfs/dbraw/zinc/21/15/28/222211528.db2.gz	CREYTWBAYDDQNK-HVCNVCAESA-N	1	1	391.559	4.486	3	10		GICFMO