smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1OC2(c3ccccc31)c1cc(Cl)c([O-])cc1Oc1cc([O-])c(Cl)cc12	ZINC000004261850	557533015	/nfs/dbraw/zinc/53/30/15/557533015.db2.gz	VFNKZQNIXUFLBC-UHFFFAOYSA-N	-2	1	401.201	4.973	50	0	in-vitro	HJAAML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1	ZINC000033254015	558922452	/nfs/dbraw/zinc/92/24/52/558922452.db2.gz	RDJJBDOTEPXEHY-UHFFFAOYSA-N	-2	1	418.559	4.612	50	0		HJAAML
CCCCN(CC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1	ZINC000033254004	558922462	/nfs/dbraw/zinc/92/24/62/558922462.db2.gz	FNEIVGTVLBWSJH-UHFFFAOYSA-N	-2	1	418.559	4.935	50	0		HJAAML
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	ZINC000004644843	558984130	/nfs/dbraw/zinc/98/41/30/558984130.db2.gz	ANQVYYFGPULITO-UHFFFAOYSA-N	-2	1	411.523	4.653	50	0		HJAAML
CCCCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c2ccccc12	ZINC000011613999	559114298	/nfs/dbraw/zinc/11/42/98/559114298.db2.gz	NYXABMBKHQUNEG-UHFFFAOYSA-N	-2	1	413.495	4.908	50	0		HJAAML
CCCN(CCC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(C)cc1C	ZINC000033253933	558922164	/nfs/dbraw/zinc/92/21/64/558922164.db2.gz	XMXNIHFENBXKBN-UHFFFAOYSA-N	-2	1	418.559	4.737	50	0		HJAAML
CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)cc1	ZINC000033253959	558922314	/nfs/dbraw/zinc/92/23/14/558922314.db2.gz	VEFZUJDGHUOOQQ-INIZCTEOSA-N	-2	1	416.543	4.545	50	0		HJAAML
Cc1oc2c(cc([N-]S(=O)(=O)c3ccc(F)cc3C)c3ccccc23)c1C(=O)[O-]	ZINC000004660891	557577637	/nfs/dbraw/zinc/57/76/37/557577637.db2.gz	QBWKRCVJFTZXAB-UHFFFAOYSA-N	-2	1	413.426	4.841	50	0		HJAAML
CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)cc1	ZINC000033253958	558922242	/nfs/dbraw/zinc/92/22/42/558922242.db2.gz	VEFZUJDGHUOOQQ-MRXNPFEDSA-N	-2	1	416.543	4.545	50	0		HJAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2Cl)ccc1N1CCCCCCC1	ZINC000032962189	526354744	/nfs/dbraw/zinc/35/47/44/526354744.db2.gz	MHJNFTJQWKZJPX-UHFFFAOYSA-N	-2	1	422.934	4.610	50	0		HJAAML
O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1	ZINC000002664485	557365327	/nfs/dbraw/zinc/36/53/27/557365327.db2.gz	KORKJBPWTGQVFH-UHFFFAOYSA-N	-2	1	414.188	4.511	50	0		HJAAML
O=C([O-])c1cc(-c2cc(Br)ccc2[O-])nc2ccc(Br)cc21	ZINC000000647564	568457440	/nfs/dbraw/zinc/45/74/40/568457440.db2.gz	XROWZQQYNPHJPG-UHFFFAOYSA-N	-2	1	423.060	4.831	50	0		HJAAML
C[C@H]1CCc2c(sc3nc(-c4ccc(-c5ccc(C(=O)[O-])cc5)o4)[n-]c(=O)c23)C1	ZINC000005881391	568827874	/nfs/dbraw/zinc/82/78/74/568827874.db2.gz	NVSONUVLNXVNFR-NSHDSACASA-N	-2	1	406.463	4.735	50	0		HJAAML
CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccccc21	ZINC000003656738	557497162	/nfs/dbraw/zinc/49/71/62/557497162.db2.gz	AUNRONFLWIUWDK-UHFFFAOYSA-N	-2	1	423.446	4.596	50	0		HJAAML
CCCCN(C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1	ZINC000033253848	558922024	/nfs/dbraw/zinc/92/20/24/558922024.db2.gz	BVXMFIKSXZFWPE-UHFFFAOYSA-N	-2	1	404.532	4.545	50	0		HJAAML
CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(C)CC2)cc1	ZINC000033253888	558922036	/nfs/dbraw/zinc/92/20/36/558922036.db2.gz	FLXOWCYZQOFWOM-UHFFFAOYSA-N	-2	1	416.543	4.545	50	0		HJAAML
CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(CCC(=O)[O-])cc3)ccc21	ZINC000008778942	571118514	/nfs/dbraw/zinc/11/85/14/571118514.db2.gz	SVGGZLVPQWOEBK-UHFFFAOYSA-N	-2	1	422.506	4.632	50	0		HJAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl	ZINC000002636429	568792191	/nfs/dbraw/zinc/79/21/91/568792191.db2.gz	JGULVUKFZSHRLQ-UHFFFAOYSA-N	-2	1	414.188	4.511	50	0		HJAAML
Cc1cccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc(C(=O)[O-])cc2)c1	ZINC000020619381	568638387	/nfs/dbraw/zinc/63/83/87/568638387.db2.gz	RONBCQQOXILCPG-RWEWTDSWSA-N	-2	1	414.417	4.630	50	0		HJAAML
C[C@@H]1CCc2c(sc3nc(-c4ccc(-c5ccc(C(=O)[O-])cc5)o4)[n-]c(=O)c23)C1	ZINC000005881024	568827889	/nfs/dbraw/zinc/82/78/89/568827889.db2.gz	NVSONUVLNXVNFR-LLVKDONJSA-N	-2	1	406.463	4.735	50	0		HJAAML
Cc1ccc(C)c(Sc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)cc2)c1	ZINC000006623419	569075074	/nfs/dbraw/zinc/07/50/74/569075074.db2.gz	MKJDCDKTQVNQTJ-UHFFFAOYSA-N	-2	1	413.520	4.954	50	0		HJAAML
CCc1ccc(S(=O)(=O)[N-]c2cc3c(C(=O)[O-])c(C)oc3c3ccccc23)cc1	ZINC000003237277	557462205	/nfs/dbraw/zinc/46/22/05/557462205.db2.gz	SYXKVCNEOYJWTR-UHFFFAOYSA-N	-2	1	409.463	4.956	50	0		HJAAML
Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N(CC(C)C)CC(C)C)c1	ZINC000033254019	558922458	/nfs/dbraw/zinc/92/24/58/558922458.db2.gz	VYZTXMYVRGLVQG-UHFFFAOYSA-N	-2	1	418.559	4.612	50	0		HJAAML
Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]c1=S	ZINC000101495097	560796131	/nfs/dbraw/zinc/79/61/31/560796131.db2.gz	UIBNIKKPNKSPLI-MRXNPFEDSA-N	-2	1	413.499	4.645	50	0		HJAAML
CCCCN(C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1	ZINC000033253850	558921936	/nfs/dbraw/zinc/92/19/36/558921936.db2.gz	IKUKVVYEAGVMBX-UHFFFAOYSA-N	-2	1	418.559	4.620	50	0		HJAAML
CCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000033253823	558922038	/nfs/dbraw/zinc/92/20/38/558922038.db2.gz	PNIARVRPHCWPIW-UHFFFAOYSA-N	-2	1	424.522	4.521	50	0		HJAAML
CCCN(CCC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1	ZINC000033253927	558922106	/nfs/dbraw/zinc/92/21/06/558922106.db2.gz	PYBHLQOGRACYSB-UHFFFAOYSA-N	-2	1	418.559	4.935	50	0		HJAAML
Cc1ccc(Sc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)cc2)cc1C	ZINC000006623424	569075089	/nfs/dbraw/zinc/07/50/89/569075089.db2.gz	IXGUEYQEXOKXFJ-UHFFFAOYSA-N	-2	1	413.520	4.954	50	0		HJAAML
Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(F)cc3)C2)c(=O)[nH]c1=S	ZINC000101495094	560796108	/nfs/dbraw/zinc/79/61/08/560796108.db2.gz	UIBNIKKPNKSPLI-INIZCTEOSA-N	-2	1	413.499	4.645	50	0		HJAAML