smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)[N-]C(=O)C(=CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000408536603	375881452	/nfs/dbraw/zinc/88/14/52/375881452.db2.gz	WTTVHNRZLMXNIF-RUYJGKKWSA-N	-1	0	334.288	-0.190	40	10		EBCBRM
C[C@@H]1O[C@H](CC(=O)[O-])C[C@]2(O)C(=O)c3cccc(O)c3C(=O)[C@@]12O	ZINC000248012330	297648112	/nfs/dbraw/zinc/64/81/12/297648112.db2.gz	JJKCJXIYVNHIOS-HDGYTCMBSA-N	-1	0	336.296	-0.115	40	10	biogenic,in-vitro	EBCBRM
C[C@H]1O[C@@H](CC(=O)[O-])C[C@@]2(O)C(=O)c3cccc(O)c3C(=O)[C@]12O	ZINC000072320132	300643971	/nfs/dbraw/zinc/64/39/71/300643971.db2.gz	JJKCJXIYVNHIOS-GCVVRSHASA-N	-1	0	336.296	-0.115	40	10	biogenic,in-vitro	EBCBRM
C[C@@H]1O[C@@H](CC(=O)[O-])C[C@@]2(O)C(=O)c3cccc(O)c3C(=O)[C@@]12O	ZINC000072320131	376069446	/nfs/dbraw/zinc/06/94/46/376069446.db2.gz	JJKCJXIYVNHIOS-WRAUVNNMSA-N	-1	0	336.296	-0.115	40	10	biogenic,in-vitro	EBCBRM
C[C@@H]1O[C@@H](CC(=O)[O-])C[C@@]2(O)C(=O)c3cccc(O)c3C(=O)[C@]12O	ZINC000072320133	376069673	/nfs/dbraw/zinc/06/96/73/376069673.db2.gz	JJKCJXIYVNHIOS-DMHGHPMTSA-N	-1	0	336.296	-0.115	40	10	biogenic,in-vitro	EBCBRM
C[C@@H]1O[C@H](CC(=O)[O-])C[C@@]2(O)C(=O)c3cccc(O)c3C(=O)[C@]12O	ZINC000248012342	376818495	/nfs/dbraw/zinc/81/84/95/376818495.db2.gz	JJKCJXIYVNHIOS-POVIXMMNSA-N	-1	0	336.296	-0.115	40	10	biogenic,in-vitro	EBCBRM
NC(=O)C1CCN(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)CC1	ZINC000000892909	283282510	/nfs/dbraw/zinc/28/25/10/283282510.db2.gz	QDZCWFQZXXKLQT-FMIVXFBMSA-N	-1	0	346.343	-0.061	40	10		EBCBRM
CC(CO)(CO)NC=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O	ZINC000100556672	219102156	/nfs/dbraw/zinc/10/21/56/219102156.db2.gz	ULRXHLUNIZXFAI-GHXNOFRVSA-N	-1	0	333.344	-0.518	40	10		EBCBRM
C[C@H]1O[C@@H](CC(=O)[O-])C[C@@]2(O)C(=O)c3cccc(O)c3C(=O)[C@@]12O	ZINC000072320130	376068991	/nfs/dbraw/zinc/06/89/91/376068991.db2.gz	JJKCJXIYVNHIOS-HUTZYBSFSA-N	-1	0	336.296	-0.115	40	10	biogenic,in-vitro	EBCBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNn2cnnc2)C1=O	ZINC000408535444	257897760	/nfs/dbraw/zinc/89/77/60/257897760.db2.gz	SROYNKOVLYTXRE-RMKNXTFCSA-N	-1	0	328.288	-0.003	40	10		EBCBRM
CN1C(=O)[N-]C(=O)C(=CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000408536595	375882664	/nfs/dbraw/zinc/88/26/64/375882664.db2.gz	WTTVHNRZLMXNIF-CDCCAWJDSA-N	-1	0	334.288	-0.190	40	10		EBCBRM
Cn1c2ccc(NC=C3C(=O)[N-]C(=O)N(C)C3=O)cc2n(C)c1=O	ZINC000408532437	375879856	/nfs/dbraw/zinc/87/98/56/375879856.db2.gz	MQMNGQPIJJOREX-VQHVLOKHSA-N	-1	0	329.316	-0.119	40	10		EBCBRM
CCOC(=O)C(=O)NCc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1	ZINC000016682102	375997704	/nfs/dbraw/zinc/99/77/04/375997704.db2.gz	VMRMWMBGXOVOTP-UHFFFAOYSA-N	-1	0	335.272	-0.792	40	10		EBCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNNC(N)=S)C2=O)cc1	ZINC000408530015	375878113	/nfs/dbraw/zinc/87/81/13/375878113.db2.gz	IJNJZBVIGXPZCS-JXMROGBWSA-N	-1	0	349.372	-0.110	40	10		EBCBRM
CN(C)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000408534298	375879977	/nfs/dbraw/zinc/87/99/77/375879977.db2.gz	QFJIJEFKZKGIDY-UHFFFAOYSA-N	-1	0	330.304	-0.004	40	10		EBCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNC(N)=N[N+](=O)[O-])C2=O)cc1	ZINC000408526989	375877668	/nfs/dbraw/zinc/87/76/68/375877668.db2.gz	DPHDMZXNGMZEMH-TWGQIWQCSA-N	-1	0	348.275	-0.532	40	10		EBCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNn3cnnc3)C2=O)cc1	ZINC000408527838	375878623	/nfs/dbraw/zinc/87/86/23/375878623.db2.gz	GNVDDMAKRMQABI-WDZFZDKYSA-N	-1	0	328.288	-0.003	40	10		EBCBRM
C[C@@H]1O[C@H](CC(=O)[O-])C[C@@]2(O)C(=O)c3cccc(O)c3C(=O)[C@@]12O	ZINC000229775449	379734778	/nfs/dbraw/zinc/73/47/78/379734778.db2.gz	JJKCJXIYVNHIOS-WKRQNYRMSA-N	-1	0	336.296	-0.115	40	10	biogenic,in-vitro	EBCBRM
C[C@@H]1O[C@H](CC(=O)[O-])C[C@]2(O)C(=O)c3cccc(O)c3C(=O)[C@]12O	ZINC000106939114	381210334	/nfs/dbraw/zinc/21/03/34/381210334.db2.gz	JJKCJXIYVNHIOS-CDUDELDCSA-N	-1	0	336.296	-0.115	40	10	biogenic,in-vitro	EBCBRM