smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([N-]c1ccc([O-])c(Sc2nc3ccccc3s2)c1)c1ccc(Cl)cc1	ZINC000001213473	555683051	/nfs/dbraw/zinc/68/30/51/555683051.db2.gz	LRNSEWVOKBURRE-UHFFFAOYSA-N	-2	3	448.978	5.607	50	10		IKCAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Sc3nc4ccccc4s3)c2)c1	ZINC000002184797	555754862	/nfs/dbraw/zinc/75/48/62/555754862.db2.gz	BODILRLAGGKQBA-UHFFFAOYSA-N	-2	3	442.587	5.571	50	10		IKCAHL
Cc1ccc(Sc2cc([N-]S(=O)(=O)c3ccc(C)cc3C)c3ccccc3c2[O-])cc1	ZINC000008439134	556175273	/nfs/dbraw/zinc/17/52/73/556175273.db2.gz	LIZVQDCTJAFNRR-UHFFFAOYSA-N	-2	3	449.597	6.423	50	10		IKCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(Sc3ccc(C)cc3C)c([O-])c3ccccc23)cc1	ZINC000008439323	556175438	/nfs/dbraw/zinc/17/54/38/556175438.db2.gz	DDBRWNJISSPHTO-UHFFFAOYSA-N	-2	3	449.597	6.423	50	10		IKCAHL
O=C([O-])c1cc(-c2ccc(/C=C3/[N-]C(=O)N(c4cccc(Cl)c4)C3=O)o2)ccc1Cl	ZINC000015013179	556484047	/nfs/dbraw/zinc/48/40/47/556484047.db2.gz	BNTARNHDZXEHHY-LICLKQGHSA-N	-2	3	443.242	5.049	50	10		IKCAHL
CC(C)c1ccc(S(=O)(=O)[N-]c2cc(SCCC(=O)[O-])c([O-])c3ccccc23)cc1	ZINC000008870776	562965513	/nfs/dbraw/zinc/96/55/13/562965513.db2.gz	YBKBVLMPQAVQBO-UHFFFAOYSA-N	-3	3	445.562	5.036	50	10		IKCAHL
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(Cl)cc1Cl	ZINC000095474102	569372458	/nfs/dbraw/zinc/37/24/58/569372458.db2.gz	ZAORGYSPHBACLN-UHFFFAOYSA-N	-2	3	444.274	6.002	50	10		IKCAHL
O=S(=O)([N-]c1cc(-c2c(O)ccc3ccccc32)c([O-])c2ccccc12)c1cccs1	ZINC000008857555	569479859	/nfs/dbraw/zinc/47/98/59/569479859.db2.gz	FNQYEJPMKIHQSV-UHFFFAOYSA-N	-2	3	447.537	5.934	50	10		IKCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C)c([O-])c(Sc3nc4ccccc4s3)c2)cc1	ZINC000000948871	555588537	/nfs/dbraw/zinc/58/85/37/555588537.db2.gz	JZWUGBARYBOIMD-UHFFFAOYSA-N	-2	3	442.587	5.571	50	10		IKCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(SCc3ccccc3)c([O-])c3ccccc23)cc1	ZINC000001120348	555637336	/nfs/dbraw/zinc/63/73/36/555637336.db2.gz	GXZYFDRDXGRSHJ-UHFFFAOYSA-N	-2	3	435.570	5.947	50	10		IKCAHL
O=S(=O)([N-]c1cc(Sc2ccc(Cl)cc2)c([O-])c2ccccc12)c1ccccc1	ZINC000008439324	556175429	/nfs/dbraw/zinc/17/54/29/556175429.db2.gz	RKOKSAIBXCGBBL-UHFFFAOYSA-N	-2	3	441.961	6.151	50	10		IKCAHL
CC(=Nc1cc(C)ccc1[O-])c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1	ZINC000100094397	557285164	/nfs/dbraw/zinc/28/51/64/557285164.db2.gz	KUPGGBATCQZUCK-CJLVFECKSA-N	-2	3	440.528	5.447	50	10		IKCAHL
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1cccc(OC(F)F)c1	ZINC000095477434	569373160	/nfs/dbraw/zinc/37/31/60/569373160.db2.gz	CIFMQVWZHZCJFT-UHFFFAOYSA-N	-2	3	441.390	5.297	50	10		IKCAHL
O=S(=O)([N-]c1ccc([O-])c(Sc2nc3ccccc3s2)c1)c1ccc(F)cc1	ZINC000000781558	555555194	/nfs/dbraw/zinc/55/51/94/555555194.db2.gz	LSZXXNGUMSFATP-UHFFFAOYSA-N	-2	3	432.523	5.093	50	10		IKCAHL
O=S(=O)([N-]c1cc(SCc2ccccc2)c([O-])c2ccccc12)c1ccc(F)cc1	ZINC000002856111	555841698	/nfs/dbraw/zinc/84/16/98/555841698.db2.gz	YBFIWGGSPVJORF-UHFFFAOYSA-N	-2	3	439.533	5.778	50	10		IKCAHL
COc1ccc(S(=O)(=O)[N-]c2cc(Sc3ccccc3)c([O-])c3ccccc23)cc1	ZINC000002858818	555843246	/nfs/dbraw/zinc/84/32/46/555843246.db2.gz	ZYTRVLYRUQUXQS-UHFFFAOYSA-N	-2	3	437.542	5.506	50	10		IKCAHL
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3c(O)ccc4ccccc43)c2)cc1	ZINC000000944547	568643091	/nfs/dbraw/zinc/64/30/91/568643091.db2.gz	HJLUHGHXBHRWLU-UHFFFAOYSA-N	-2	3	433.529	5.842	50	10		IKCAHL
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1c(F)cccc1Cl	ZINC000095475459	569372748	/nfs/dbraw/zinc/37/27/48/569372748.db2.gz	ULQUQQWVEMOBRK-UHFFFAOYSA-N	-2	3	427.819	5.488	50	10		IKCAHL
CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc([O-])c(Cl)c1	ZINC000095479031	569373712	/nfs/dbraw/zinc/37/37/12/569373712.db2.gz	IXZHCPNWQZYIOE-UHFFFAOYSA-N	-2	3	425.828	5.054	50	10		IKCAHL
O=S(=O)([N-]c1cc(SCc2ccccc2)c([O-])c2ccccc12)c1cccs1	ZINC000002855923	555841342	/nfs/dbraw/zinc/84/13/42/555841342.db2.gz	CRPBNTQHISTAOY-UHFFFAOYSA-N	-2	3	427.572	5.700	50	10		IKCAHL
O=C([O-])c1cc(-c2ccc(/C=C3/[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl	ZINC000015013537	556484503	/nfs/dbraw/zinc/48/45/03/556484503.db2.gz	FDQRXRMWZWZIDZ-LICLKQGHSA-N	-2	3	443.242	5.049	50	10		IKCAHL
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1c(Cl)cccc1Cl	ZINC000095476991	569373203	/nfs/dbraw/zinc/37/32/03/569373203.db2.gz	VVJBDTBELSKYBP-UHFFFAOYSA-N	-2	3	444.274	6.002	50	10		IKCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(Sc3nc4ccccc4s3)c([O-])cc2C)cc1	ZINC000008871864	569480891	/nfs/dbraw/zinc/48/08/91/569480891.db2.gz	RHCOUUJOXIOXNC-UHFFFAOYSA-N	-2	3	442.587	5.571	50	10		IKCAHL
CCc1ccc(S(=O)(=O)[N-]c2cc(Sc3ccc(C)cc3)c([O-])c3ccccc23)cc1	ZINC000002184841	555754896	/nfs/dbraw/zinc/75/48/96/555754896.db2.gz	RKJSNLQXGWPWRU-UHFFFAOYSA-N	-2	3	449.597	6.368	50	10		IKCAHL
O=S(=O)([N-]c1cc(Sc2ccccc2)c([O-])c2ccccc12)c1ccc(F)cc1	ZINC000002685361	555798809	/nfs/dbraw/zinc/79/88/09/555798809.db2.gz	ZLHHOVZCOQHSGX-UHFFFAOYSA-N	-2	3	425.506	5.637	50	10		IKCAHL
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3c(O)ccc4ccccc43)c2)cc1	ZINC000002954565	555866703	/nfs/dbraw/zinc/86/67/03/555866703.db2.gz	SGKOJFCMFILPCL-UHFFFAOYSA-N	-2	3	447.556	6.016	50	10		IKCAHL
COc1ccc(S(=O)(=O)[N-]c2cc(SCc3ccco3)c([O-])c3ccccc23)cc1	ZINC000008870758	569480633	/nfs/dbraw/zinc/48/06/33/569480633.db2.gz	MHIMKKNHURMTHH-UHFFFAOYSA-N	-2	3	441.530	5.240	50	10		IKCAHL
O=C([O-])c1cc(-c2ccc(/C=C3\[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl	ZINC000008430307	556170337	/nfs/dbraw/zinc/17/03/37/556170337.db2.gz	FDQRXRMWZWZIDZ-YVLHZVERSA-N	-2	3	443.242	5.049	50	10		IKCAHL
Cc1ccc(Sc2cc([N-]S(=O)(=O)c3ccccc3)c3ccccc3c2[O-])c(C)c1	ZINC000008439321	556175525	/nfs/dbraw/zinc/17/55/25/556175525.db2.gz	HKHPFYLQZIDRID-UHFFFAOYSA-N	-2	3	435.570	6.114	50	10		IKCAHL
O=S(=O)([N-]c1cc(-c2c(O)ccc3ccccc32)c([O-])c2ccccc12)c1ccccc1	ZINC000003123840	556839712	/nfs/dbraw/zinc/83/97/12/556839712.db2.gz	JLHQSSKCNONIFX-UHFFFAOYSA-N	-2	3	441.508	5.872	50	10		IKCAHL
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\[N-]C(=O)N(c4cccc(Cl)c4)C3=O)o2)c1	ZINC000033334431	557118661	/nfs/dbraw/zinc/11/86/61/557118661.db2.gz	SKWLNMWQXAJQRN-YVLHZVERSA-N	-2	3	443.242	5.049	50	10		IKCAHL
Cc1ccc(Sc2cc([N-]S(=O)(=O)c3cc(C)ccc3C)c3ccccc3c2[O-])cc1	ZINC000008974177	569492860	/nfs/dbraw/zinc/49/28/60/569492860.db2.gz	IBVJGFHISQVSFV-UHFFFAOYSA-N	-2	3	449.597	6.423	50	10		IKCAHL
O=C([O-])c1cc(-c2ccc(/C=C3\[N-]C(=O)N(c4cccc(Cl)c4)C3=O)o2)ccc1Cl	ZINC000008396318	526341171	/nfs/dbraw/zinc/34/11/71/526341171.db2.gz	BNTARNHDZXEHHY-YVLHZVERSA-N	-2	3	443.242	5.049	50	10		IKCAHL
Cc1ccc(Sc2cc([N-]S(=O)(=O)c3ccc(F)cc3)c3ccccc3c2[O-])cc1	ZINC000000944519	555587529	/nfs/dbraw/zinc/58/75/29/555587529.db2.gz	MTKASAHPYCJSHN-UHFFFAOYSA-N	-2	3	439.533	5.945	50	10		IKCAHL
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/[N-]C(=O)N(c4cccc(Cl)c4)C3=O)o2)c1	ZINC000008400748	556166252	/nfs/dbraw/zinc/16/62/52/556166252.db2.gz	SKWLNMWQXAJQRN-LICLKQGHSA-N	-2	3	443.242	5.049	50	10		IKCAHL
O=S(=O)([N-]c1cc(Br)c([O-])c2ccccc12)c1ccc2ccccc2c1	ZINC000001197782	562920908	/nfs/dbraw/zinc/92/09/08/562920908.db2.gz	XAXIIMXGVXUAGS-UHFFFAOYSA-N	-2	3	428.307	5.262	50	10		IKCAHL
O=S(=O)([N-]c1ccc([O-])c(-c2c(O)ccc3ccccc32)c1)c1cccc2ccccc21	ZINC000002840927	569423356	/nfs/dbraw/zinc/42/33/56/569423356.db2.gz	WCPGYXNIBIXOHB-UHFFFAOYSA-N	-2	3	441.508	5.872	50	10		IKCAHL
Cc1cc([O-])c(Sc2nc3ccccc3s2)cc1[N-]S(=O)(=O)c1cccs1	ZINC000008870424	569480643	/nfs/dbraw/zinc/48/06/43/569480643.db2.gz	SMYNVVZRKORKRR-UHFFFAOYSA-N	-2	3	434.589	5.324	50	10		IKCAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Sc3nc4ccccc4s3)c2)cc1	ZINC000000944112	555587661	/nfs/dbraw/zinc/58/76/61/555587661.db2.gz	OUOLOFHQNYOJJP-UHFFFAOYSA-N	-2	3	428.560	5.262	50	10		IKCAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Sc3nc4ccccc4s3)c2)cc1	ZINC000008438973	556174949	/nfs/dbraw/zinc/17/49/49/556174949.db2.gz	DSPCZNWSCLGSTA-UHFFFAOYSA-N	-2	3	442.587	5.516	50	10		IKCAHL
Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1cc(C(=O)[O-])ccc1C	ZINC000015930697	556565081	/nfs/dbraw/zinc/56/50/81/556565081.db2.gz	PZQHVCHJQQWLOY-JYRVWZFOSA-N	-2	3	438.698	5.372	50	10		IKCAHL
Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1cc(C(=O)[O-])ccc1C	ZINC000100148517	557335462	/nfs/dbraw/zinc/33/54/62/557335462.db2.gz	PZQHVCHJQQWLOY-MDWZMJQESA-N	-2	3	438.698	5.372	50	10		IKCAHL
O=S(=O)([N-]c1ccc([O-])c(-c2c(O)ccc3ccccc32)c1)c1ccc(Cl)cc1	ZINC000002485286	562928156	/nfs/dbraw/zinc/92/81/56/562928156.db2.gz	HRMJMXZVQQTHDA-UHFFFAOYSA-N	-2	3	425.893	5.372	50	10		IKCAHL
Cc1ccc(Sc2cc([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3c2[O-])cc1	ZINC000006142734	568845363	/nfs/dbraw/zinc/84/53/63/568845363.db2.gz	NEVBVXINQDYYEK-UHFFFAOYSA-N	-2	3	435.570	6.114	50	10		IKCAHL
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(F)cc1Cl	ZINC000095475643	569372795	/nfs/dbraw/zinc/37/27/95/569372795.db2.gz	MXKKNSDRSCJCAX-UHFFFAOYSA-N	-2	3	427.819	5.488	50	10		IKCAHL
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1cc(F)c(F)c(F)c1	ZINC000095477275	569373138	/nfs/dbraw/zinc/37/31/38/569373138.db2.gz	VEYSKOXPZVMXNN-UHFFFAOYSA-N	-2	3	429.354	5.113	50	10		IKCAHL
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(F)c(F)c1F	ZINC000095477125	569373240	/nfs/dbraw/zinc/37/32/40/569373240.db2.gz	OQTOHPCOWZCZNR-UHFFFAOYSA-N	-2	3	429.354	5.113	50	10		IKCAHL
Cc1cc([O-])c(Sc2nc3ccccc3s2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000008870313	569480593	/nfs/dbraw/zinc/48/05/93/569480593.db2.gz	FVYYZQALEFDYMJ-UHFFFAOYSA-N	-2	3	428.560	5.262	50	10		IKCAHL