smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]c2ccccc2c([O-])c1C(c1cccs1)c1c(O)nc2ccccc2c1[O-]	ZINC000039921215	558686593	/nfs/dbraw/zinc/68/65/93/558686593.db2.gz	UJYSXCIHQYAOBH-UHFFFAOYSA-N	-2	3	416.458	4.023	40	0		HIABHL
O=C([O-])c1ccc(CN(C(=O)c2ccc3[n-]c(Cl)nc3c2)C2CCCCC2)o1	ZINC000225980827	568689903	/nfs/dbraw/zinc/68/99/03/568689903.db2.gz	HADPTGRGKZXILX-UHFFFAOYSA-N	-2	3	401.850	4.483	40	0		HIABHL
CCc1nc(SC(=Cc2ccccc2OCc2ccccc2C#N)C(=O)[O-])n[n-]1	ZINC000007342548	569337094	/nfs/dbraw/zinc/33/70/94/569337094.db2.gz	MPXFQJGMZIAWFH-WQRHYEAKSA-N	-2	3	406.467	4.036	40	0		HIABHL
CCCc1nc(SC(=Cc2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C(=O)[O-])n[n-]1	ZINC000408630506	557568723	/nfs/dbraw/zinc/56/87/23/557568723.db2.gz	AUBCOBBKAZGLSR-YBEGLDIGSA-N	-3	3	413.455	4.242	40	0		HIABHL
CCc1nc(SC(=Cc2cc(Br)ccc2OC(C)C)C(=O)[O-])n[n-]1	ZINC000213408775	569356222	/nfs/dbraw/zinc/35/62/22/569356222.db2.gz	LLDGMTKOOPMESW-MDWZMJQESA-N	-2	3	412.309	4.135	40	0		HIABHL
Cc1cc([N-]C(=O)c2cc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cs2)no1	ZINC000006681816	560632473	/nfs/dbraw/zinc/63/24/73/560632473.db2.gz	CTUGWRLGLQSWDZ-UHFFFAOYSA-N	-2	3	405.501	4.023	40	0		HIABHL
CCc1nc(SC(=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)[O-])n[n-]1	ZINC000408633464	557586517	/nfs/dbraw/zinc/58/65/17/557586517.db2.gz	YSWUNHQZOBKJEN-ZSOIEALJSA-N	-3	3	419.846	4.197	40	0		HIABHL
O=c1cc(COc2ccc(Cl)cc2Cl)[n-]c2nn(-c3ccc(F)cc3)c([O-])c21	ZINC000017092077	560866789	/nfs/dbraw/zinc/86/67/89/560866789.db2.gz	IAGAGDGBAKFFKK-UHFFFAOYSA-N	-2	3	420.227	4.032	40	0		HIABHL
CCCc1nc(SC(=Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C(=O)[O-])n[n-]1	ZINC000007342194	569337021	/nfs/dbraw/zinc/33/70/21/569337021.db2.gz	KFEJYUYVQDPANR-WJDWOHSUSA-N	-2	3	413.455	4.022	40	0		HIABHL
CCCc1nc(SC(=Cc2cc(Br)cc(Cl)c2[O-])C(=O)[O-])n[n-]1	ZINC000408631842	557570145	/nfs/dbraw/zinc/57/01/45/557570145.db2.gz	MEFKBVRVURULDV-YHYXMXQVSA-N	-3	3	418.700	4.097	40	0		HIABHL
COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1-c1ccc(C(=O)[O-])o1	ZINC000226353358	559273581	/nfs/dbraw/zinc/27/35/81/559273581.db2.gz	OFZKXKRTLAIPKY-UHFFFAOYSA-N	-2	3	407.831	4.108	40	0		HIABHL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1	ZINC000223256274	568542892	/nfs/dbraw/zinc/54/28/92/568542892.db2.gz	KRXUESANKKGJFH-UHFFFAOYSA-N	-2	3	407.797	4.177	40	0		HIABHL
CCc1nc(SC(=Cc2ccc(OCc3ccc(C#N)cc3)cc2)C(=O)[O-])n[n-]1	ZINC000007342560	569337084	/nfs/dbraw/zinc/33/70/84/569337084.db2.gz	JKGFQZQMIOEBNU-WQRHYEAKSA-N	-2	3	406.467	4.036	40	0		HIABHL
CCCc1nc(SC(=Cc2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C(=O)[O-])n[n-]1	ZINC000408631239	557569731	/nfs/dbraw/zinc/56/97/31/557569731.db2.gz	GRQPHZKULZCAGA-YBEGLDIGSA-N	-3	3	413.455	4.242	40	0		HIABHL
O=C([O-])c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2cccc(O)c2)cc1	ZINC000006753293	568936944	/nfs/dbraw/zinc/93/69/44/568936944.db2.gz	VIQNETCQZBWKDC-JOCHJYFZSA-N	-2	3	411.417	4.230	40	0		HIABHL
O=C([O-])c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2cccc(O)c2)cc1	ZINC000006753293	568936945	/nfs/dbraw/zinc/93/69/45/568936945.db2.gz	VIQNETCQZBWKDC-JOCHJYFZSA-N	-2	3	411.417	4.230	40	0		HIABHL
CCc1nc(SC(=Cc2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C(=O)[O-])n[n-]1	ZINC000007342604	569337097	/nfs/dbraw/zinc/33/70/97/569337097.db2.gz	RLWGHWBERFJKRR-LDADJPATSA-N	-2	3	411.531	4.058	40	0		HIABHL
CCc1nc(SC(=Cc2cccn2-c2ccc(Br)cc2)C(=O)[O-])n[n-]1	ZINC000408633052	557585879	/nfs/dbraw/zinc/58/58/79/557585879.db2.gz	VLJLHAKNBCQHJW-UVTDQMKNSA-N	-2	3	419.304	4.138	40	0		HIABHL
CCOc1cc(Cc2c(C)[n-]n(-c3ccccc3)c2=O)cc(Br)c1[O-]	ZINC000013914365	558832612	/nfs/dbraw/zinc/83/26/12/558832612.db2.gz	KZGJDUXBCKYAGD-UHFFFAOYSA-N	-2	3	403.276	4.344	40	0		HIABHL
O=C([O-])c1ccc(-c2ccc(/C=C3/[N-]C(=O)N(c4ccccc4)C3=O)o2)cc1Cl	ZINC000409012038	560665609	/nfs/dbraw/zinc/66/56/09/560665609.db2.gz	INWHRTLWAHEOFW-GZTJUZNOSA-N	-2	3	408.797	4.396	40	0		HIABHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCC1=CCCCC1	ZINC000217637403	568473328	/nfs/dbraw/zinc/47/33/28/568473328.db2.gz	GIUMMINWCORHOI-UHFFFAOYSA-N	-2	3	400.500	4.488	40	0		HIABHL
CCOC(=O)c1ccc(-c2ccc(C=C(Sc3n[n-]c(CC)n3)C(=O)[O-])o2)cc1	ZINC000213390899	569356017	/nfs/dbraw/zinc/35/60/17/569356017.db2.gz	JFZOBLGTZLRZFX-WJDWOHSUSA-N	-2	3	413.455	4.022	40	0		HIABHL
COc1cc(=O)c2c([O-])c([O-])c(-c3ccc(OCc4ccccc4)c(O)c3)oc-2c1	ZINC000003843067	557500013	/nfs/dbraw/zinc/50/00/13/557500013.db2.gz	MCNMWIQINZVGRR-UHFFFAOYSA-N	-2	3	406.390	4.164	40	0		HIABHL
CCc1nc(SC(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)[O-])n[n-]1	ZINC000007342504	569337039	/nfs/dbraw/zinc/33/70/39/569337039.db2.gz	DIXFCEBLRUBWNW-LCYFTJDESA-N	-2	3	413.484	4.205	40	0		HIABHL
COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OC)cc1OCc1ccccc1	ZINC000002566156	557356922	/nfs/dbraw/zinc/35/69/22/557356922.db2.gz	JPEXDMDZYIHQEF-UHFFFAOYSA-N	-2	3	420.417	4.467	40	0		HIABHL
Cc1ccc(-c2n[n-]c3c2[C@@H](c2ccccn2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000004914257	560736609	/nfs/dbraw/zinc/73/66/09/560736609.db2.gz	LZOCLKDOANVSAS-JOCHJYFZSA-N	-2	3	410.433	4.228	40	0		HIABHL
Cc1ccc(-c2[n-]nc3c2[C@@H](c2ccccn2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000004914257	560736611	/nfs/dbraw/zinc/73/66/11/560736611.db2.gz	LZOCLKDOANVSAS-JOCHJYFZSA-N	-2	3	410.433	4.228	40	0		HIABHL
O=C([O-])c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2cccc(O)c2)cc1	ZINC000006753294	568936892	/nfs/dbraw/zinc/93/68/92/568936892.db2.gz	VIQNETCQZBWKDC-QFIPXVFZSA-N	-2	3	411.417	4.230	40	0		HIABHL
O=C([O-])c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2cccc(O)c2)cc1	ZINC000006753294	568936894	/nfs/dbraw/zinc/93/68/94/568936894.db2.gz	VIQNETCQZBWKDC-QFIPXVFZSA-N	-2	3	411.417	4.230	40	0		HIABHL
CCc1nc(SC(=Cc2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C(=O)[O-])n[n-]1	ZINC000007342400	569337025	/nfs/dbraw/zinc/33/70/25/569337025.db2.gz	WASJADYRQFZHMJ-DHDCSXOGSA-N	-2	3	400.416	4.062	40	0		HIABHL
CCc1nc(SC(=Cc2ccc(OCc3ccccc3)c(OC)c2)C(=O)[O-])n[n-]1	ZINC000007342438	569337079	/nfs/dbraw/zinc/33/70/79/569337079.db2.gz	PDJAUBXSMPPLQM-PDGQHHTCSA-N	-2	3	411.483	4.173	40	0		HIABHL
Cc1ccc(-c2n[n-]c3c2[C@H](c2ccccn2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000004914271	560736533	/nfs/dbraw/zinc/73/65/33/560736533.db2.gz	LZOCLKDOANVSAS-QFIPXVFZSA-N	-2	3	410.433	4.228	40	0		HIABHL
Cc1ccc(-c2[n-]nc3c2[C@H](c2ccccn2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000004914271	560736535	/nfs/dbraw/zinc/73/65/35/560736535.db2.gz	LZOCLKDOANVSAS-QFIPXVFZSA-N	-2	3	410.433	4.228	40	0		HIABHL
CCc1nc(SC(=Cc2ccc(OCc3ccc(OC)cc3)cc2)C(=O)[O-])n[n-]1	ZINC000007342512	569337035	/nfs/dbraw/zinc/33/70/35/569337035.db2.gz	ASNRCOKMDCXSJZ-PDGQHHTCSA-N	-2	3	411.483	4.173	40	0		HIABHL
CCc1nc(SC(=Cc2ccccc2OCc2ccc(C#N)cc2)C(=O)[O-])n[n-]1	ZINC000007342549	569337107	/nfs/dbraw/zinc/33/71/07/569337107.db2.gz	KCXVHAQYTREYQD-WQRHYEAKSA-N	-2	3	406.467	4.036	40	0		HIABHL
COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc(Br)c1[O-]	ZINC000408635029	557598236	/nfs/dbraw/zinc/59/82/36/557598236.db2.gz	WWUNJNHPKUZDFQ-ZSOIEALJSA-N	-2	3	421.272	4.257	40	0		HIABHL
O=C(Nc1ccccc1[O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl	ZINC000015107740	558987409	/nfs/dbraw/zinc/98/74/09/558987409.db2.gz	KYUZNADVYDMRDR-UHFFFAOYSA-N	-2	3	402.859	4.099	40	0		HIABHL
CCCc1nc(SC(=Cc2cc(Cl)cc(Br)c2[O-])C(=O)[O-])n[n-]1	ZINC000408632904	557575533	/nfs/dbraw/zinc/57/55/33/557575533.db2.gz	UWHMKOPBMFSHJF-YHYXMXQVSA-N	-3	3	418.700	4.097	40	0		HIABHL
CCc1nc(SC(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)[O-])n[n-]1	ZINC000408632276	557578233	/nfs/dbraw/zinc/57/82/33/557578233.db2.gz	PMZUDQUPMKOGFM-ZSOIEALJSA-N	-3	3	419.846	4.197	40	0		HIABHL
CCCc1nc(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[O-])n[n-]1	ZINC000007342190	569337077	/nfs/dbraw/zinc/33/70/77/569337077.db2.gz	PPXXHYSQZPQNNI-GDNBJRDFSA-N	-2	3	400.416	4.143	40	0		HIABHL
CCCc1nc(SC(=Cc2cc(Cl)c(OC(C)C)c(OC)c2)C(=O)[O-])n[n-]1	ZINC000213385508	569356020	/nfs/dbraw/zinc/35/60/20/569356020.db2.gz	UPZYQLRRLZUMSP-ZROIWOOFSA-N	-2	3	411.911	4.424	40	0		HIABHL
CCCc1nc(SC(=Cc2ccc(-c3cccc(C(=O)[O-])c3C)o2)C(=O)[O-])n[n-]1	ZINC000007342301	569337013	/nfs/dbraw/zinc/33/70/13/569337013.db2.gz	YYVFJAJQENDYML-YBEGLDIGSA-N	-3	3	413.455	4.242	40	0		HIABHL
CCCc1nc(SC(=Cc2ccc(OCC)c(Br)c2)C(=O)[O-])n[n-]1	ZINC000007342213	569337061	/nfs/dbraw/zinc/33/70/61/569337061.db2.gz	WRQKTUQXHZKQRL-LCYFTJDESA-N	-2	3	412.309	4.136	40	0		HIABHL
CCc1nc(SC(=Cc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)[O-])n[n-]1	ZINC000408631834	557570153	/nfs/dbraw/zinc/57/01/53/557570153.db2.gz	MAWJHUPSSAQMCB-ZSOIEALJSA-N	-3	3	419.846	4.197	40	0		HIABHL
CCCc1nc(SC(=Cc2ccc(-c3cccc(C(=O)OC)c3)o2)C(=O)[O-])n[n-]1	ZINC000213374750	569356106	/nfs/dbraw/zinc/35/61/06/569356106.db2.gz	BIRWJMYHUDKBDA-WJDWOHSUSA-N	-2	3	413.455	4.022	40	0		HIABHL