smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(F)cc1C(C)(C)C[C@](O)(C[NH+]1C[C@H](C)O[C@@H](C)C1)C(F)(F)F	ZINC000034802048	581100227	/nfs/dbraw/zinc/10/02/27/581100227.db2.gz	YRAUBPBLFNFPPH-NJSLBKSFSA-N	1	1	407.448	3.905	1	0		HHAFMO
COc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1N1CC[NH+](C)CC1	ZINC000000837368	523747533	/nfs/dbraw/zinc/74/75/33/523747533.db2.gz	NECBFUUHCUJAGU-UHFFFAOYSA-N	1	1	402.498	3.761	1	0		HHAFMO
CC[C@H](O)[C@@H]1[C@@H]2CC[C@H]3CC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@H](CC2)[N@H+]31	ZINC000085532594	291250184	/nfs/dbraw/zinc/25/01/84/291250184.db2.gz	ZOUDZLSCIFATNZ-UGPYSOOWSA-N	1	1	415.530	3.628	1	0	biogenic,in-vitro	HHAFMO
Cc1ccc2c(cccc2N2CC[N@@H+](CCc3ccc4c(c3)NC(=O)CO4)[C@@H](C)C2)n1	ZINC000003959333	132269581	/nfs/dbraw/zinc/26/95/81/132269581.db2.gz	DZBLKVHBOHYUNY-SFHVURJKSA-N	1	1	416.525	3.627	1	0		HHAFMO
COc1cccc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c1	ZINC000013492656	581096250	/nfs/dbraw/zinc/09/62/50/581096250.db2.gz	FAAVUZJXYXGQAR-UHFFFAOYSA-N	1	1	422.356	3.944	1	0		HHAFMO
Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)[C@@H]1CCC[N@H+](C)C1)[C@@H]3c1cccc(O)c1	ZINC000045351711	581092074	/nfs/dbraw/zinc/09/20/74/581092074.db2.gz	ILPBYDQWNIUYOS-HOYKHHGWSA-N	1	1	403.526	3.998	1	0		HHAFMO
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1	ZINC000013756909	581096173	/nfs/dbraw/zinc/09/61/73/581096173.db2.gz	MEEMKNVOHUJFSV-HNNXBMFYSA-N	1	1	419.953	3.834	1	0		HHAFMO
COc1ccc(F)cc1C(C)(C)C[C@@](O)(C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F	ZINC000034802051	581100251	/nfs/dbraw/zinc/10/02/51/581100251.db2.gz	YRAUBPBLFNFPPH-BIENJYKASA-N	1	1	407.448	3.905	1	0		HHAFMO
COc1ccc(F)cc1C(C)(C)C[C@@](O)(C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F	ZINC000034802051	581100252	/nfs/dbraw/zinc/10/02/52/581100252.db2.gz	YRAUBPBLFNFPPH-BIENJYKASA-N	1	1	407.448	3.905	1	0		HHAFMO
O=c1[nH]c(-c2ccc(F)cc2)c(CC[NH+]2CCN(c3ccccc3Cl)CC2)o1	ZINC000026378895	132227450	/nfs/dbraw/zinc/22/74/50/132227450.db2.gz	QUXVFCAVIRVIOM-UHFFFAOYSA-N	1	1	401.869	3.792	1	0		HHAFMO
C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+]([C@@H]1CC(=O)N(c3ccc(Br)cc3)C1=O)C2	ZINC000019832022	525915780	/nfs/dbraw/zinc/91/57/80/525915780.db2.gz	VHWDVCXSEPHTLK-JXXFODFXSA-N	1	1	405.336	3.982	1	0		HHAFMO
Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)[C@H]1CCC[N@H+](C)C1)[C@@H]3c1cccc(O)c1	ZINC000045351718	581091993	/nfs/dbraw/zinc/09/19/93/581091993.db2.gz	ILPBYDQWNIUYOS-MHECFPHRSA-N	1	1	403.526	3.998	1	0		HHAFMO
Cn1c[nH+]cc1Cn1cc(C(=O)N2CCOCC2)c(-c2cccc3ccccc32)c1	ZINC000026821756	581099914	/nfs/dbraw/zinc/09/99/14/581099914.db2.gz	SFPGSGWLJOJIDY-UHFFFAOYSA-N	1	1	400.482	3.563	1	0		HHAFMO
CCN(CC)C(=O)[C@H]1C=C2c3cccc4[nH]c(Br)c(c43)C[C@@H]2[N@@H+](C)C1	ZINC000002040487	560186230	/nfs/dbraw/zinc/18/62/30/560186230.db2.gz	VKRAXSZEDRWLAG-SJCJKPOMSA-N	1	1	402.336	3.669	1	0	in-vitro	HHAFMO
CCN(CC)C(=O)[C@H]1C=C2c3cccc4[nH]c(Br)c(c43)C[C@@H]2[N@H+](C)C1	ZINC000002040487	560186232	/nfs/dbraw/zinc/18/62/32/560186232.db2.gz	VKRAXSZEDRWLAG-SJCJKPOMSA-N	1	1	402.336	3.669	1	0	in-vitro	HHAFMO
Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)[C@H]1CCC[N@H+](C)C1)[C@H]3c1cccc(O)c1	ZINC000045351715	581092050	/nfs/dbraw/zinc/09/20/50/581092050.db2.gz	ILPBYDQWNIUYOS-UUOWRZLLSA-N	1	1	403.526	3.998	1	0		HHAFMO
c1cnc(N2CC[NH+](CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)nc1	ZINC000026574706	581092133	/nfs/dbraw/zinc/09/21/33/581092133.db2.gz	HKDCDBFKNRMFSY-UHFFFAOYSA-N	1	1	414.513	3.611	1	0		HHAFMO
Oc1ccc2c3c1O[C@@H]1c4oc5ccccc5c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314	ZINC000003874477	560191138	/nfs/dbraw/zinc/19/11/38/560191138.db2.gz	ZHVWWEYETMPAMX-YEHREXKJSA-N	1	1	415.489	3.838	3	0	in-vitro	HHAFMO
CC[C@@]1(O)CC[C@H]2CC=C3O/C(=C4\OC(=O)C(C)=C4OC)[C@@H](C)[C@@H]3[C@@H]3CCC[C@@H]1[N@@H+]23	ZINC000085532553	291250213	/nfs/dbraw/zinc/25/02/13/291250213.db2.gz	QCAFHXTWKUQEOP-OFZPWBALSA-N	1	1	415.530	3.772	1	0	biogenic,in-vitro	HHAFMO
COc1ccc(F)cc1C(C)(C)C[C@](O)(C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F	ZINC000034802050	581100315	/nfs/dbraw/zinc/10/03/15/581100315.db2.gz	YRAUBPBLFNFPPH-KSMMKXTCSA-N	1	1	407.448	3.905	1	0		HHAFMO
COc1ccc(F)cc1C(C)(C)C[C@](O)(C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F	ZINC000034802050	581100316	/nfs/dbraw/zinc/10/03/16/581100316.db2.gz	YRAUBPBLFNFPPH-KSMMKXTCSA-N	1	1	407.448	3.905	1	0		HHAFMO
COc1ccc(F)cc1C(C)(C)C[C@@](O)(C[NH+]1C[C@H](C)O[C@@H](C)C1)C(F)(F)F	ZINC000034802049	581100308	/nfs/dbraw/zinc/10/03/08/581100308.db2.gz	YRAUBPBLFNFPPH-CKFHNAJUSA-N	1	1	407.448	3.905	1	0		HHAFMO
Cc1[nH]nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc5c(c4)OCO5)c3)cc12	ZINC000014961768	581091623	/nfs/dbraw/zinc/09/16/23/581091623.db2.gz	IKYGJTHTAXCLMT-SFHVURJKSA-N	1	1	402.454	3.611	1	0		HHAFMO
Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)[C@@H]1CCC[N@H+](C)C1)[C@H]3c1cccc(O)c1	ZINC000045351708	581092035	/nfs/dbraw/zinc/09/20/35/581092035.db2.gz	ILPBYDQWNIUYOS-KOSHJBKYSA-N	1	1	403.526	3.998	1	0		HHAFMO
CCC[N@@H+](CCN1CCN(c2ccccc2OC)CC1)[C@H]1CCc2c(O)cccc2C1	ZINC000028964254	581094173	/nfs/dbraw/zinc/09/41/73/581094173.db2.gz	ZGSHIAJEAFZHNC-QFIPXVFZSA-N	1	1	423.601	3.792	1	0		HHAFMO
CCC[N@@H+](CCN1CCN(c2ccccc2OC)CC1)[C@@H]1CCc2c(O)cccc2C1	ZINC000028964249	581094166	/nfs/dbraw/zinc/09/41/66/581094166.db2.gz	ZGSHIAJEAFZHNC-JOCHJYFZSA-N	1	1	423.601	3.792	1	0		HHAFMO
COc1cc(-c2nc3cccc(C(N)=O)c3[nH]2)ccc1OCC1=CC(C)(C)[NH2+]C1(C)C	ZINC000034046627	581099359	/nfs/dbraw/zinc/09/93/59/581099359.db2.gz	IORULYRGPQSLHN-UHFFFAOYSA-N	1	1	420.513	3.803	1	0		HHAFMO