smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OC[C@@H]1O[C@@H](n2c(C#N)cc(=O)[n-]c2=O)C[C@H]1OC(C)=O	ZINC000005664270	278219300	/nfs/dbraw/zinc/21/93/00/278219300.db2.gz	ZBTRHDRHWZYQKV-NTZNESFSSA-N	-1	0	337.288	-0.809	40	30		EBEBRM
COCc1cc(C)nc(NN=CC2C(=O)[N-]C(=O)NC2=O)c1C#N	ZINC000005361645	375903677	/nfs/dbraw/zinc/90/36/77/375903677.db2.gz	QQEBXUWYSRSIHY-FZSIALSZSA-N	-1	0	330.304	-0.064	40	30		EBEBRM
CCN1/C(=N\C(=O)COCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000101314906	285150200	/nfs/dbraw/zinc/15/02/00/285150200.db2.gz	TYVGOFAKFXADCJ-GDKMXWTHSA-N	-1	0	336.391	-0.796	40	30		EBEBRM
COC(=O)[C@@]1(CC(=O)c2ccncc2)NC(=S)NC([O-])=C1C#N	ZINC000006384916	375907996	/nfs/dbraw/zinc/90/79/96/375907996.db2.gz	DIPNHPKTVUAUOU-OTYXRUKQSA-N	-1	0	332.341	-0.290	40	30		EBEBRM
CCN1/C(=N\C(=O)COCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000101314903	285150250	/nfs/dbraw/zinc/15/02/50/285150250.db2.gz	TYVGOFAKFXADCJ-FNAQZLKLSA-N	-1	0	336.391	-0.796	40	30		EBEBRM
CCN1/C(=N\C(=O)COCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000101314909	285150234	/nfs/dbraw/zinc/15/02/34/285150234.db2.gz	TYVGOFAKFXADCJ-VZWPOLPHSA-N	-1	0	336.391	-0.796	40	30		EBEBRM
C=CCN1/C(=N/C(=O)COCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000008554611	375920042	/nfs/dbraw/zinc/92/00/42/375920042.db2.gz	YHTKHCSTMKGEFT-DNFGBECISA-N	-1	0	348.402	-0.629	40	30		EBEBRM
CO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OS(C)(=O)=O	ZINC000077302243	380920390	/nfs/dbraw/zinc/92/03/90/380920390.db2.gz	JTKUEISZGLHBIM-YUMQZZPRSA-N	-1	0	326.371	-0.078	40	30	in-vitro	EBEBRM
CCOC(=O)C(=O)C(=Cn1c(=O)cc([O-])[nH]c1=S)C(=O)OCC	ZINC000005827998	375905943	/nfs/dbraw/zinc/90/59/43/375905943.db2.gz	PMMMDWHZOQYWLX-VOTSOKGWSA-N	-1	0	342.329	-0.390	40	30		EBEBRM
COC(=O)[C@]1(CC(=O)c2ccncc2)NC(=S)NC([O-])=C1C#N	ZINC000006385064	375908860	/nfs/dbraw/zinc/90/88/60/375908860.db2.gz	DIPNHPKTVUAUOU-YMTOWFKASA-N	-1	0	332.341	-0.290	40	30		EBEBRM
CCN1/C(=N\C(=O)COCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000101314907	285150215	/nfs/dbraw/zinc/15/02/15/285150215.db2.gz	TYVGOFAKFXADCJ-ZKYGQHGUSA-N	-1	0	336.391	-0.796	40	30		EBEBRM
CC(=O)OC[C@H]1O[C@@H](n2c(C#N)cc(=O)[n-]c2=O)C[C@H]1OC(C)=O	ZINC000005664107	278219876	/nfs/dbraw/zinc/21/98/76/278219876.db2.gz	ZBTRHDRHWZYQKV-NQBHXWOUSA-N	-1	0	337.288	-0.809	40	30		EBEBRM
COC(=O)[C@@]1(CC(=O)c2ccncc2)NC(=S)NC([O-])=C1C#N	ZINC000006384946	375908137	/nfs/dbraw/zinc/90/81/37/375908137.db2.gz	DIPNHPKTVUAUOU-XPTSAGLGSA-N	-1	0	332.341	-0.290	40	30		EBEBRM
CCOC(=O)C(=O)C(=Cn1c(=O)cc([O-])[nH]c1=S)C(=O)OCC	ZINC000016958370	375996971	/nfs/dbraw/zinc/99/69/71/375996971.db2.gz	PMMMDWHZOQYWLX-SREVYHEPSA-N	-1	0	342.329	-0.801	40	30		EBEBRM
C=CCN1/C(=N/C(=O)COCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000032504413	376046727	/nfs/dbraw/zinc/04/67/27/376046727.db2.gz	YHTKHCSTMKGEFT-YPQGFXCPSA-N	-1	0	348.402	-0.629	40	30		EBEBRM
CC(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(C)=O)NC1=O	ZINC000000057484	209392739	/nfs/dbraw/zinc/39/27/39/209392739.db2.gz	PUWVNTVQJFSBDH-RYUDHWBXSA-N	-1	0	344.368	-0.995	40	30	in-vitro	EBEBRM
C=CCN1/C(=N/C(=O)COCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000032504411	376046289	/nfs/dbraw/zinc/04/62/89/376046289.db2.gz	YHTKHCSTMKGEFT-AYKQCWLMSA-N	-1	0	348.402	-0.629	40	30		EBEBRM
C=CCN1/C(=N/C(=O)COCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000008554609	210964897	/nfs/dbraw/zinc/96/48/97/210964897.db2.gz	YHTKHCSTMKGEFT-OGJDZEFESA-N	-1	0	348.402	-0.629	40	30		EBEBRM
CCc1nnc(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])n1N	ZINC000408720523	420578785	/nfs/dbraw/zinc/57/87/85/420578785.db2.gz	STRWOOMWRQHEIT-WLRTZDKTSA-N	-1	0	336.268	0.522	40	30		EBEBRM
N#Cc1c(SCC(=O)NCC(=O)[O-])sc2c1[nH]c(=O)[nH]c2=O	ZINC000013990426	376530422	/nfs/dbraw/zinc/53/04/22/376530422.db2.gz	OADLQANGSZKGBW-UHFFFAOYSA-N	-1	0	340.342	-0.145	40	30		EBEBRM
CC(=O)OC[C@@H]1O[C@@H](n2c(C#N)cc(=O)[n-]c2=O)C[C@@H]1OC(C)=O	ZINC000005664293	278219259	/nfs/dbraw/zinc/21/92/59/278219259.db2.gz	ZBTRHDRHWZYQKV-GMXVVIOVSA-N	-1	0	337.288	-0.809	40	30		EBEBRM
COC(=O)[C@]1(CC(=O)c2ccncc2)NC(=S)NC([O-])=C1C#N	ZINC000006385094	210626537	/nfs/dbraw/zinc/62/65/37/210626537.db2.gz	DIPNHPKTVUAUOU-LKFCYVNXSA-N	-1	0	332.341	-0.290	40	30		EBEBRM
CC(=O)OC[C@H]1O[C@@H](n2c(C#N)cc(=O)[n-]c2=O)C[C@@H]1OC(C)=O	ZINC000005664137	377330434	/nfs/dbraw/zinc/33/04/34/377330434.db2.gz	ZBTRHDRHWZYQKV-DMDPSCGWSA-N	-1	0	337.288	-0.809	40	30		EBEBRM