smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc2c([O-])c3c(cc2c1)C(=O)c1cccc(O)c1C3=O	ZINC000003850732	181050118	/nfs/dbraw/zinc/05/01/18/181050118.db2.gz	WSIPHNSDFAPIKV-UHFFFAOYSA-N	-1	1	318.328	3.589	40	10		DHCBMM
O=C1c2ccccc2C(=O)c2c(Cl)c3ccccc3c([O-])c21	ZINC000004792018	181152358	/nfs/dbraw/zinc/15/23/58/181152358.db2.gz	ATKQRHBIHGHVAY-UHFFFAOYSA-N	-1	1	308.720	3.974	40	10		DHCBMM
COc1cc(C)c(C=C2SC(=S)[N-]C2=O)cc1C(C)C	ZINC000408848444	257226197	/nfs/dbraw/zinc/22/61/97/257226197.db2.gz	ZAQLIXBQLYBOGZ-NTUHNPAUSA-N	-1	1	307.440	3.616	40	10		DHCBMM
C[C@@H]1CC(C)(C)N(C)c2ccc(C=C3SC(=O)[N-]C3=O)cc21	ZINC000208200995	563700344	/nfs/dbraw/zinc/70/03/44/563700344.db2.gz	YEQMANMCZPZQTO-WWNSAXIVSA-N	-1	1	316.426	3.733	40	10		DHCBMM
O=C1[N-]C(=S)S/C1=C/c1ccc(Oc2ccccc2)cc1	ZINC000001483581	563883835	/nfs/dbraw/zinc/88/38/35/563883835.db2.gz	DNXCXYIPCYQEBG-GXDHUFHOSA-N	-1	1	313.403	3.968	40	10		DHCBMM
CCOC([O-])=C1SC(c2ccc(Cl)cc2Cl)=NC1=O	ZINC000100319440	563914200	/nfs/dbraw/zinc/91/42/00/563914200.db2.gz	UFWAHAQBZHNURX-FMIVXFBMSA-N	-1	1	318.181	3.777	40	10		DHCBMM
CCCn1cc(C=C2SC(=S)[N-]C2=O)c2ccccc21	ZINC000409346747	257219980	/nfs/dbraw/zinc/21/99/80/257219980.db2.gz	OIZDEIWDZZODGG-MDWZMJQESA-N	-1	1	302.424	3.540	40	10		DHCBMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccccc1C	ZINC000408808283	257226771	/nfs/dbraw/zinc/22/67/71/257226771.db2.gz	DTYGEROPDMQPBT-DHDCSXOGSA-N	-1	1	312.394	3.726	40	10		DHCBMM
CC1=CC(C)(C)N(C)c2ccc(C=C3SC(=O)[N-]C3=O)cc21	ZINC000208447941	201435752	/nfs/dbraw/zinc/43/57/52/201435752.db2.gz	WJBVCIWKTKSWCX-RIYZIHGNSA-N	-1	1	314.410	3.642	40	10		DHCBMM
CCN(CC)c1ccc(C=C2SC(=S)[N-]C2=O)c(O)c1	ZINC000005261334	181223352	/nfs/dbraw/zinc/22/33/52/181223352.db2.gz	CJCFRERQOQYCMK-KPKJPENVSA-N	-1	1	308.428	3.568	40	10		DHCBMM
CCCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1Cl	ZINC000408531405	257230174	/nfs/dbraw/zinc/23/01/74/257230174.db2.gz	PTJUSMPVYWJNMX-XFFZJAGNSA-N	-1	1	313.831	3.618	40	10		DHCBMM
[O-]c1c(Cl)cc(Cl)cc1CNc1ccc2nn[nH]c2c1	ZINC000036422274	563927251	/nfs/dbraw/zinc/92/72/51/563927251.db2.gz	QEHVTUCLCBXQIC-UHFFFAOYSA-N	-1	1	309.156	3.582	40	10		DHCBMM
CCOC([O-])=C1SC(c2ccc(Cl)cc2Cl)=NC1=O	ZINC000100328419	563778504	/nfs/dbraw/zinc/77/85/04/563778504.db2.gz	UFWAHAQBZHNURX-XFXZXTDPSA-N	-1	1	318.181	3.777	40	10		DHCBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)cc1	ZINC000000357266	563920443	/nfs/dbraw/zinc/92/04/43/563920443.db2.gz	KZYVUYRZKKNESR-UHFFFAOYSA-N	-1	1	313.378	3.655	40	10		DHCBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1C1CCCC1	ZINC000096234494	563774139	/nfs/dbraw/zinc/77/41/39/563774139.db2.gz	HIGCONCOPSPLHB-MDWZMJQESA-N	-1	1	306.456	3.709	40	10		DHCBMM
C[C@H]1CC(C)(C)N(C)c2ccc(C=C3SC(=O)[N-]C3=O)cc21	ZINC000208201031	563700350	/nfs/dbraw/zinc/70/03/50/563700350.db2.gz	YEQMANMCZPZQTO-CEITULEQSA-N	-1	1	316.426	3.733	40	10		DHCBMM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccccc1O	ZINC000100929722	563554176	/nfs/dbraw/zinc/55/41/76/563554176.db2.gz	CRIAPAQJXSBRAC-WJDWOHSUSA-N	-1	1	321.380	3.728	40	10		DHCBMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(F)cc1	ZINC000013601411	563661978	/nfs/dbraw/zinc/66/19/78/563661978.db2.gz	ONVLDJVHCFBWJQ-ZSOIEALJSA-N	-1	1	316.357	3.557	40	10		DHCBMM
O=C1C[C@@H](C2CCCCC2)C(=O)c2cc3cccnc3c([O-])c21	ZINC000001582188	563286207	/nfs/dbraw/zinc/28/62/07/563286207.db2.gz	GUMHWBAGAFSDMP-ZDUSSCGKSA-N	-1	1	309.365	3.906	40	10		DHCBMM
Cc1cn(-c2ccccc2)c(C)c1C=C1SC(=S)[N-]C1=O	ZINC000004798174	181153178	/nfs/dbraw/zinc/15/31/78/181153178.db2.gz	VJUPRGMGQSFKCA-ZSOIEALJSA-N	-1	1	314.435	3.583	40	10		DHCBMM
CCCN1C(=O)/C(=C/c2ccc([O-])c(Cl)c2)SC1=S	ZINC000409329750	257220061	/nfs/dbraw/zinc/22/00/61/257220061.db2.gz	IAHDKRPBMGSLNA-XFFZJAGNSA-N	-1	1	313.831	3.657	40	10		DHCBMM
CCCOc1ccc(Cl)cc1C=C1SC(=S)[N-]C1=O	ZINC000199647342	563924416	/nfs/dbraw/zinc/92/44/16/563924416.db2.gz	HTLUBVMYSINJOQ-XFFZJAGNSA-N	-1	1	313.831	3.618	40	10		DHCBMM
O=C1[N-]C(=S)S/C1=C/c1ccc(-c2cccc(F)c2)o1	ZINC000215917332	563924426	/nfs/dbraw/zinc/92/44/26/563924426.db2.gz	GIKDBOYXFNYMKZ-KPKJPENVSA-N	-1	1	305.355	3.575	40	10		DHCBMM
Nc1nc(Nc2ccccc2)c(N=Nc2ccccc2)c(=O)[n-]1	ZINC000016982817	182067735	/nfs/dbraw/zinc/06/77/35/182067735.db2.gz	MALRQTQWILDSIS-QURGRASLSA-N	-1	1	306.329	3.511	40	10		DHCBMM
O=C1[N-]C(=S)S/C1=C\c1ccc(-c2ccc(F)cc2F)o1	ZINC000408605085	257229133	/nfs/dbraw/zinc/22/91/33/257229133.db2.gz	WTHKAHQGOVTHEM-SDQBBNPISA-N	-1	1	323.345	3.714	40	10		DHCBMM
O=C1C[C@H](C2CCCCC2)C(=O)c2cc3cccnc3c([O-])c21	ZINC000013222984	563379520	/nfs/dbraw/zinc/37/95/20/563379520.db2.gz	GUMHWBAGAFSDMP-CYBMUJFWSA-N	-1	1	309.365	3.906	40	10		DHCBMM
CC(=O)c1ccc(-c2ccc(C=C3SC(=O)[N-]C3=O)o2)cc1	ZINC000208567895	563924412	/nfs/dbraw/zinc/92/44/12/563924412.db2.gz	LWKZIXQUPBUGJQ-RIYZIHGNSA-N	-1	1	313.334	3.678	40	10		DHCBMM