smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccccc1O	ZINC000005334186	181230876	/nfs/dbraw/zinc/23/08/76/181230876.db2.gz	CRIAPAQJXSBRAC-LFIBNONCSA-N	-1	1	321.380	3.728	50	10		DHCAMM
Cc1oc2ccc(O)c(C[NH+](C)C)c2c1C(=O)c1ccccc1	ZINC000000054945	563515455	/nfs/dbraw/zinc/51/54/55/563515455.db2.gz	PSJPKTUACKVMOK-UHFFFAOYSA-N	-1	1	309.365	3.739	50	10		DHCAMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(F)cc1	ZINC000001092449	563277305	/nfs/dbraw/zinc/27/73/05/563277305.db2.gz	ONVLDJVHCFBWJQ-RIYZIHGNSA-N	-1	1	316.357	3.557	50	10		DHCAMM
CCCN(CCC)c1ccc(C=C2SC(=S)[N-]C2=O)cc1	ZINC000003183131	563323259	/nfs/dbraw/zinc/32/32/59/563323259.db2.gz	HAKGVBBLRMOQNX-KAMYIIQDSA-N	-1	1	320.483	3.802	50	10		DHCAMM
CCOc1ccc2ccccc2c1C=C1SC(=S)[N-]C1=O	ZINC000012412340	563369233	/nfs/dbraw/zinc/36/92/33/563369233.db2.gz	NWRCIVOKFFYQKC-ZROIWOOFSA-N	-1	1	315.419	3.727	50	10		DHCAMM
CC[C@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1	ZINC000032932633	563414117	/nfs/dbraw/zinc/41/41/17/563414117.db2.gz	PCOMWONGFXAOSG-ZDUSSCGKSA-N	-1	1	315.413	3.628	50	10		DHCAMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(C)cc1	ZINC000000975495	563785539	/nfs/dbraw/zinc/78/55/39/563785539.db2.gz	VVYUJGLIMFJYFM-OQLLNIDSSA-N	-1	1	312.394	3.726	50	10		DHCAMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(C)cc1	ZINC000013601393	1024837989	/nfs/dbraw/zinc/83/79/89/1024837989.db2.gz	VVYUJGLIMFJYFM-DHDCSXOGSA-N	-1	1	312.394	3.726	50	10		DHCAMM
CCN(CC)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000005311910	181228469	/nfs/dbraw/zinc/22/84/69/181228469.db2.gz	MVAZVUGYNUWNNP-UHFFFAOYSA-N	-1	1	318.442	3.642	50	10		DHCAMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1cccc(C)c1	ZINC000008744368	563350081	/nfs/dbraw/zinc/35/00/81/563350081.db2.gz	JBNMIQMGZMHTHX-DHDCSXOGSA-N	-1	1	312.394	3.726	50	10		DHCAMM
Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=O	ZINC000100149358	563546936	/nfs/dbraw/zinc/54/69/36/563546936.db2.gz	SAUBAQDVRZWSSP-DAXSKMNVSA-N	-1	1	305.548	3.811	50	10		DHCAMM
COc1ccc(C=C2SC(=S)[N-]C2=O)c2ccccc12	ZINC000008116130	563719080	/nfs/dbraw/zinc/71/90/80/563719080.db2.gz	KYJIVSTXTVRGBR-JYRVWZFOSA-N	-1	1	301.392	3.749	50	10		DHCAMM
O=C1[N-]C(=S)S/C1=C\c1ccc(-c2ccccc2F)o1	ZINC000008053899	563719192	/nfs/dbraw/zinc/71/91/92/563719192.db2.gz	VPJBZLIEBGNCQE-GHXNOFRVSA-N	-1	1	305.355	3.575	50	10		DHCAMM
O=C1[N-]C(=S)S/C1=C\c1ccc(-c2ccc(F)cc2)o1	ZINC000013306753	181842513	/nfs/dbraw/zinc/84/25/13/181842513.db2.gz	VFWDOUPBVKMFTG-GHXNOFRVSA-N	-1	1	305.355	3.575	50	10		DHCAMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccccc1	ZINC000013655969	563928492	/nfs/dbraw/zinc/92/84/92/563928492.db2.gz	HGDVAXSIRLADHC-ZROIWOOFSA-N	-1	1	314.435	3.583	50	10		DHCAMM
O=C1[N-]C(=S)S/C1=C/c1cccn1-c1ccc(Cl)cc1	ZINC000001177958	563278751	/nfs/dbraw/zinc/27/87/51/563278751.db2.gz	XOHZQVBOQYLDNB-XYOKQWHBSA-N	-1	1	320.826	3.620	50	10		DHCAMM
Cn1c(Cl)cnc1C[N@@H+](Cc1ccccc1O)C1CCCC1	ZINC000084303828	563825834	/nfs/dbraw/zinc/82/58/34/563825834.db2.gz	CAOKFFMQWJJVFT-UHFFFAOYSA-N	-1	1	319.836	3.724	50	10		DHCAMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1cccc(C)c1	ZINC000001211183	563279395	/nfs/dbraw/zinc/27/93/95/563279395.db2.gz	JBNMIQMGZMHTHX-OQLLNIDSSA-N	-1	1	312.394	3.726	50	10		DHCAMM
O=C([O-])c1cc(=O)c2c(ccc(O)c2N=Nc2ccccc2)o1	ZINC000035587098	563453370	/nfs/dbraw/zinc/45/33/70/563453370.db2.gz	SFRHZBLTDUKVTK-ZCXUNETKSA-N	-1	1	310.265	3.612	50	10		DHCAMM
[O-]c1c(Cl)cc(Cl)cc1CNc1cccc2[nH]nnc21	ZINC000019874815	182159124	/nfs/dbraw/zinc/15/91/24/182159124.db2.gz	XJDAMRMBKRZMNY-UHFFFAOYSA-N	-1	1	309.156	3.582	50	10		DHCAMM
O=C1[N-]C(=S)SC1=Cc1ccc(N2CCCC2)c(F)c1	ZINC000005753823	181280903	/nfs/dbraw/zinc/28/09/03/181280903.db2.gz	JCCUETRZVRERKD-WQLSENKSSA-N	-1	1	308.403	3.755	50	10		DHCAMM
O=C1[N-]C(=S)S/C1=C/c1ccc(-c2ccc(F)cc2)o1	ZINC000001194229	563279422	/nfs/dbraw/zinc/27/94/22/563279422.db2.gz	VFWDOUPBVKMFTG-KPKJPENVSA-N	-1	1	305.355	3.575	50	10		DHCAMM
CCOC(=O)c1nc[n-]c1N=Nc1c(O)ccc2ccccc21	ZINC000252625207	563919348	/nfs/dbraw/zinc/91/93/48/563919348.db2.gz	QFGQXFPLOJFEDK-UHFFFAOYSA-N	-1	1	310.313	3.861	50	10		DHCAMM
CC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000100547099	563450298	/nfs/dbraw/zinc/45/02/98/563450298.db2.gz	HNUOEUITWDCQQZ-LDADJPATSA-N	-1	1	319.364	3.608	50	10		DHCAMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccccc1	ZINC000000969042	563786018	/nfs/dbraw/zinc/78/60/18/563786018.db2.gz	HGDVAXSIRLADHC-NTEUORMPSA-N	-1	1	314.435	3.583	50	10		DHCAMM
Cc1ccc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)cc1	ZINC000003065609	563621545	/nfs/dbraw/zinc/62/15/45/563621545.db2.gz	RCBMCYDIJCNXTE-MDWZMJQESA-N	-1	1	301.392	3.744	50	10		DHCAMM
O=C(CSc1nc2ccccc2s1)c1ccc([O-])c(O)c1	ZINC000005629194	181266210	/nfs/dbraw/zinc/26/62/10/181266210.db2.gz	DBTRBCTYKUZFNI-UHFFFAOYSA-N	-1	1	317.391	3.683	50	10		DHCAMM
O=c1nc(-c2sc3ccccc3c2[O-])[nH]c2ccsc21	ZINC000006585800	181357621	/nfs/dbraw/zinc/35/76/21/181357621.db2.gz	BWDWYDWFUNGWCQ-UHFFFAOYSA-N	-1	1	300.364	3.572	50	10		DHCAMM
CN(Cc1ccccc1O)C(=O)c1cc2ccccc2cc1[O-]	ZINC000042117888	1036569536	/nfs/dbraw/zinc/56/95/36/1036569536.db2.gz	TZHKGMFQNXMKPY-UHFFFAOYSA-N	-1	1	307.349	3.523	50	10		DHCAMM
C[NH+](C)Cc1c2c(ccc1[O-])oc(-c1ccccc1)c2C(=O)[O-]	ZINC000098213433	563544333	/nfs/dbraw/zinc/54/43/33/563544333.db2.gz	APHKFUXLKUZGTJ-UHFFFAOYSA-N	-1	1	311.337	3.565	50	10		DHCAMM
Cc1oc2c(ccc([O-])c2CN(C)C)c(=O)c1-c1ccccc1	ZINC000020411325	182215244	/nfs/dbraw/zinc/21/52/44/182215244.db2.gz	IVBPMCTZBKREST-UHFFFAOYSA-N	-1	1	309.365	3.536	50	10	biogenic	DHCAMM
C[N@@H+](Cc1ccon1)Cc1cc(-c2ccc(F)cc2)ccc1O	ZINC000011880866	563359628	/nfs/dbraw/zinc/35/96/28/563359628.db2.gz	BPHRHJIAXOSXHY-UHFFFAOYSA-N	-1	1	312.344	3.818	50	10		DHCAMM
CN(Cc1cccc(Br)c1[O-])C(=O)OC(C)(C)C	ZINC000096034529	563532149	/nfs/dbraw/zinc/53/21/49/563532149.db2.gz	XCNBUZVNYGAUFM-UHFFFAOYSA-N	-1	1	316.195	3.522	50	10		DHCAMM
CCOC(=O)c1nc[n-]c1N=Nc1c(O)ccc2ccccc21	ZINC000101522439	563557873	/nfs/dbraw/zinc/55/78/73/563557873.db2.gz	QFGQXFPLOJFEDK-FMQUCBEESA-N	-1	1	310.313	3.861	50	10		DHCAMM
Cc1ccccc1-c1c(C)oc2c(ccc([O-])c2CN(C)C)c1=O	ZINC000019800589	182151470	/nfs/dbraw/zinc/15/14/70/182151470.db2.gz	LDMJMINEKCWUMX-UHFFFAOYSA-N	-1	1	323.392	3.844	50	10	biogenic	DHCAMM
COc1ccc2ccccc2c1C=C1SC(=S)[N-]C1=O	ZINC000008166545	563344713	/nfs/dbraw/zinc/34/47/13/563344713.db2.gz	YGHRMTBYJMUQLI-JYRVWZFOSA-N	-1	1	301.392	3.749	50	10		DHCAMM
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccccc1O	ZINC000006556665	181354300	/nfs/dbraw/zinc/35/43/00/181354300.db2.gz	OYEUAWADGAMQPS-RVDMUPIBSA-N	-1	1	321.380	3.728	50	10		DHCAMM
COc1cc(C)ccc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000009011872	563951962	/nfs/dbraw/zinc/95/19/62/563951962.db2.gz	FETDBYYKQPCITI-VBKFSLOCSA-N	-1	1	321.380	3.722	50	10		DHCAMM
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000100147880	193795617	/nfs/dbraw/zinc/79/56/17/193795617.db2.gz	LEHBBKDPFOOCST-NTEUORMPSA-N	-1	1	312.756	3.852	50	10		DHCAMM
Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=O	ZINC000100149363	563565858	/nfs/dbraw/zinc/56/58/58/563565858.db2.gz	SAUBAQDVRZWSSP-QPJJXVBHSA-N	-1	1	305.548	3.811	50	10		DHCAMM
O=C1[N-]C(=S)S/C1=C\c1ccc(N2CCCCCC2)cc1	ZINC000007155217	563625037	/nfs/dbraw/zinc/62/50/37/563625037.db2.gz	HVFOUXXFFOYVKM-KAMYIIQDSA-N	-1	1	318.467	3.556	50	10		DHCAMM
O=C1[N-]C(=S)S/C1=C/c1ccc(Sc2ccccc2)o1	ZINC000001211109	563279245	/nfs/dbraw/zinc/27/92/45/563279245.db2.gz	AASWXPRVGVNXSN-DHZHZOJOSA-N	-1	1	319.432	3.920	50	10		DHCAMM
O=C1[N-]C(=S)S/C1=C/c1ccc(-c2cccs2)s1	ZINC000002546485	563308219	/nfs/dbraw/zinc/30/82/19/563308219.db2.gz	OFWADGOJEMSXMK-UXBLZVDNSA-N	-1	1	309.462	3.965	50	10		DHCAMM
CCc1cc(=O)oc2c1ccc([O-])c2CNc1cccc(C)c1	ZINC000009306442	563954984	/nfs/dbraw/zinc/95/49/84/563954984.db2.gz	UJZHZLUPWCTTNU-UHFFFAOYSA-N	-1	1	309.365	3.982	50	10		DHCAMM
CC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000018119736	182093833	/nfs/dbraw/zinc/09/38/33/182093833.db2.gz	HNUOEUITWDCQQZ-PDGQHHTCSA-N	-1	1	319.364	3.608	50	10		DHCAMM
CN(C)c1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cc1	ZINC000018215086	182099661	/nfs/dbraw/zinc/09/96/61/182099661.db2.gz	BKEHNNKIAIVQEG-UHFFFAOYSA-N	-1	1	320.392	3.541	50	10		DHCAMM
O=C1c2ccccc2-c2onc3c2c1c([O-])cc3Br	ZINC000000262413	563886927	/nfs/dbraw/zinc/88/69/27/563886927.db2.gz	YSUPUSOINSMHJU-UHFFFAOYSA-N	-1	1	316.110	3.507	50	10	biogenic	DHCAMM
O=C1[N-]C(=S)S/C1=C\c1cccc(Oc2ccccc2)c1	ZINC000002779401	563940683	/nfs/dbraw/zinc/94/06/83/563940683.db2.gz	SKRSSNZOVQMETG-UVTDQMKNSA-N	-1	1	313.403	3.968	50	10		DHCAMM
O=C1[N-]C(=S)S/C1=C\c1ccc(SC(F)(F)F)cc1	ZINC000012601966	1029375233	/nfs/dbraw/zinc/37/52/33/1029375233.db2.gz	CPMMUJVHNVFNRU-YVMONPNESA-N	-1	1	321.370	3.787	50	10		DHCAMM