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[N-]C(=O)C(=CNN2C(=O)c3cccc4c(Br)ccc(c43)C2=O)C(=O)N1	ZINC000003045259	569438636	/nfs/dbraw/zinc/43/86/36/569438636.db2.gz	YBEMIEMBKYSBGZ-UHFFFAOYSA-N	-1	0	429.186	0.953	40	10		ICCBRM
O=C([O-])[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@H](O)[C@@H]1O	ZINC000004349038	291316735	/nfs/dbraw/zinc/31/67/35/291316735.db2.gz	IKIIZLYTISPENI-TWHPPBISSA-N	-1	0	446.364	0.142	40	10	biogenic,in-vitro	ICCBRM
O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@H](O)[C@@H]1O	ZINC000004349042	556408364	/nfs/dbraw/zinc/40/83/64/556408364.db2.gz	IKIIZLYTISPENI-KYHREEPGSA-N	-1	0	446.364	0.142	40	10		ICCBRM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CC(N)=O)C(=O)[O-])C2=O)cc1	ZINC000008870113	556228983	/nfs/dbraw/zinc/22/89/83/556228983.db2.gz	FWAHSFZFXAZJIK-OXBCTQFSSA-N	-1	0	437.499	0.731	40	10		ICCBRM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CC(N)=O)C(=O)[O-])C2=O)cc1	ZINC000008870114	556228919	/nfs/dbraw/zinc/22/89/19/556228919.db2.gz	FWAHSFZFXAZJIK-FMNNIJNLSA-N	-1	0	437.499	0.731	40	10		ICCBRM
O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000013424717	569316089	/nfs/dbraw/zinc/31/60/89/569316089.db2.gz	IKIIZLYTISPENI-QFCZJPRCSA-N	-1	0	446.364	0.142	40	10		ICCBRM
O=C1[N-]C(=O)C(=Cc2cc([N+](=O)[O-])c(N3CCOCC3)cc2N2CCOCC2)C(=O)N1	ZINC000059419056	557823452	/nfs/dbraw/zinc/82/34/52/557823452.db2.gz	VXBYCMCERIDHQV-UHFFFAOYSA-N	-1	0	431.405	0.017	40	10		ICCBRM
CCCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC=C1C(=O)[N-]C(=O)NC1=O	ZINC000059490006	557826295	/nfs/dbraw/zinc/82/62/95/557826295.db2.gz	NWYLAYIVCPTHAN-UHFFFAOYSA-N	-1	0	440.438	0.182	40	10		ICCBRM
Cc1ccc(-n2c(O)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)c(=O)[n-]c2=S)cc1C	ZINC000103855852	557140312	/nfs/dbraw/zinc/14/03/12/557140312.db2.gz	QIXVJNQZODQJJQ-GFCCVEGCSA-N	-1	0	430.511	0.809	40	10		ICCBRM
Cc1ccc(-n2c(O)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)c(=O)[n-]c2=S)cc1C	ZINC000103855857	557140274	/nfs/dbraw/zinc/14/02/74/557140274.db2.gz	QIXVJNQZODQJJQ-LBPRGKRZSA-N	-1	0	430.511	0.809	40	10		ICCBRM
CN1C(=O)C(=C[C@@H]2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)C(=O)N(C)C1=S	ZINC000103855863	557140349	/nfs/dbraw/zinc/14/03/49/557140349.db2.gz	IDOCEYLHMZVZPI-SNVBAGLBSA-N	-1	0	436.902	0.846	40	10		ICCBRM
CN1C(=O)C(=C[C@H]2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)C(=O)N(C)C1=S	ZINC000103855867	557140413	/nfs/dbraw/zinc/14/04/13/557140413.db2.gz	IDOCEYLHMZVZPI-JTQLQIEISA-N	-1	0	436.902	0.846	40	10		ICCBRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(/N=N\c3c(N)n(C)c(=O)n(C)c3=O)cc2)n1	ZINC000104090754	557320047	/nfs/dbraw/zinc/32/00/47/557320047.db2.gz	CQSJACXSGYLKEX-DQRAZIAOSA-N	-1	0	430.450	0.981	40	10		ICCBRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(/N=N/c3c(N)n(C)c(=O)n(C)c3=O)cc2)n1	ZINC000104090756	557320071	/nfs/dbraw/zinc/32/00/71/557320071.db2.gz	CQSJACXSGYLKEX-QURGRASLSA-N	-1	0	430.450	0.981	40	10		ICCBRM
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)NC(=N)N)cc1	ZINC000104204019	557322180	/nfs/dbraw/zinc/32/21/80/557322180.db2.gz	SZRSJRNHDLQWGT-NAJQJYEQSA-N	-1	0	428.434	0.764	40	10		ICCBRM
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)NC(=N)N)cc1	ZINC000104204023	557322270	/nfs/dbraw/zinc/32/22/70/557322270.db2.gz	SZRSJRNHDLQWGT-CTBAPTLKSA-N	-1	0	428.434	0.764	40	10		ICCBRM
Cc1[n-]n(C(=O)c2cccnc2)c(=O)c1N=Nc1ccc(S(=O)(=O)NC(=N)N)cc1	ZINC000104214192	557322418	/nfs/dbraw/zinc/32/24/18/557322418.db2.gz	PLZBEKURRWTDEA-NAJQJYEQSA-N	-1	0	428.434	0.764	40	10		ICCBRM
Cc1[n-]n(C(=O)c2cccnc2)c(=O)c1N=Nc1ccc(S(=O)(=O)NC(=N)N)cc1	ZINC000104214197	557322396	/nfs/dbraw/zinc/32/23/96/557322396.db2.gz	PLZBEKURRWTDEA-CTBAPTLKSA-N	-1	0	428.434	0.764	40	10		ICCBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNNS(=O)(=O)c2ccc(C)cc2)C1=O	ZINC000408529966	555719472	/nfs/dbraw/zinc/71/94/72/555719472.db2.gz	IHVVBIRECGUGGG-SDNWHVSQSA-N	-1	0	430.442	0.953	40	10		ICCBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=CNC(N)=N[N+](=O)[O-])C2=O)c(C)cc1Br	ZINC000408532547	555733087	/nfs/dbraw/zinc/73/30/87/555733087.db2.gz	QHUHQUDSAOUNCI-VMPITWQZSA-N	-1	0	425.199	0.838	40	10		ICCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1OC(C)=O	ZINC000408759849	556686982	/nfs/dbraw/zinc/68/69/82/556686982.db2.gz	MVEVQHNLWIBLDR-UHFFFAOYSA-N	-1	0	430.154	0.975	40	10		ICCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(N)=O	ZINC000408950268	556898103	/nfs/dbraw/zinc/89/81/03/556898103.db2.gz	JADLISNSMHXIRE-AWNIVKPZSA-N	-1	0	439.380	0.954	40	10		ICCBRM
NC(=O)COc1c(Br)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000409219937	557013491	/nfs/dbraw/zinc/01/34/91/557013491.db2.gz	WSEYOTVPRXTLDO-UHFFFAOYSA-N	-1	0	447.039	0.825	40	10		ICCBRM
NC(=O)COc1c(Br)cc(Br)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000409261904	557040721	/nfs/dbraw/zinc/04/07/21/557040721.db2.gz	FGKJMMARMHWMRC-UHFFFAOYSA-N	-1	0	447.039	0.825	40	10		ICCBRM
O=C([O-])[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000521840097	569292557	/nfs/dbraw/zinc/29/25/57/569292557.db2.gz	IKIIZLYTISPENI-WVXKDWSHSA-N	-1	0	446.364	0.142	40	10		ICCBRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(c1ccc(N)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575425342	568864908	/nfs/dbraw/zinc/86/49/08/568864908.db2.gz	DPOXRWIRJCZAAL-CVEARBPZSA-N	-1	0	440.499	0.629	40	10		ICCBRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(c1ccc(N)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575425349	568864898	/nfs/dbraw/zinc/86/48/98/568864898.db2.gz	DPOXRWIRJCZAAL-HOTGVXAUSA-N	-1	0	440.499	0.629	40	10		ICCBRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(c1ccc(N)cc1)[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000575425350	568864882	/nfs/dbraw/zinc/86/48/82/568864882.db2.gz	DPOXRWIRJCZAAL-HZPDHXFCSA-N	-1	0	440.499	0.629	40	10		ICCBRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(c1ccc(N)cc1)[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000575425351	568864874	/nfs/dbraw/zinc/86/48/74/568864874.db2.gz	DPOXRWIRJCZAAL-JKSUJKDBSA-N	-1	0	440.499	0.629	40	10		ICCBRM