smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(N)c(C(=O)COC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)c(=O)n(C)c1=O	ZINC000002646064	568794922	/nfs/dbraw/zinc/79/49/22/568794922.db2.gz	PVLMAXUKYLWJQW-UHFFFAOYSA-N	-1	3	415.362	-1.905	50	0		HAAAHM
O=C(NC1C=NC(=O)NC1=O)c1ccc2c(c1)C(=O)N(c1c[nH]c(=O)[n-]c1=O)C2=O	ZINC000002902776	557771178	/nfs/dbraw/zinc/77/11/78/557771178.db2.gz	PNRCAXXQGDCLPX-UHFFFAOYSA-N	-1	3	410.302	-1.507	50	0		HAAAHM
Cn1c(=O)cc(CNC(=O)C[N-]S(=O)(=O)c2ccc(F)cc2F)n(C)c1=O	ZINC000006754994	569111938	/nfs/dbraw/zinc/11/19/38/569111938.db2.gz	NMGKKRWGTWZZPC-UHFFFAOYSA-N	-1	3	402.379	-1.043	50	0		HAAAHM
CC(=O)[N-]c1cnn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)n1	ZINC000008740070	571110273	/nfs/dbraw/zinc/11/02/73/571110273.db2.gz	KPWRZHUNKUNRSC-NMFUWQPSSA-N	-1	3	412.355	-1.079	50	0	biogenic	HAAAHM
O=C(COc1ccccc1)Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[n-]1	ZINC000008762256	560770814	/nfs/dbraw/zinc/77/08/14/560770814.db2.gz	FOOYAXZEBFXEJD-IWCJZZDYSA-N	-1	3	417.378	-1.251	50	0	biogenic	HAAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]CC(=O)NCc1cc(=O)n(C)c(=O)n1C	ZINC000009410318	571255753	/nfs/dbraw/zinc/25/57/53/571255753.db2.gz	VTNWJGRDGATDQB-UHFFFAOYSA-N	-1	3	414.415	-1.174	50	0		HAAAHM
CN(C(=O)COC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)[C@H]1CCS(=O)(=O)C1	ZINC000009818629	571286188	/nfs/dbraw/zinc/28/61/88/571286188.db2.gz	DTRLGJYTVNDQLY-NSHDSACASA-N	-1	3	409.420	-1.122	50	0		HAAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000012887764	569019692	/nfs/dbraw/zinc/01/96/92/569019692.db2.gz	PDRDANWRTRPFFD-LBPRGKRZSA-N	-1	3	424.435	-1.111	50	0		HAAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000012887772	569019694	/nfs/dbraw/zinc/01/96/94/569019694.db2.gz	PDRDANWRTRPFFD-GFCCVEGCSA-N	-1	3	424.435	-1.111	50	0		HAAAHM
CN(C(=O)COC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)[C@@H]1CCS(=O)(=O)C1	ZINC000013110098	558515058	/nfs/dbraw/zinc/51/50/58/558515058.db2.gz	DTRLGJYTVNDQLY-LLVKDONJSA-N	-1	3	409.420	-1.122	50	0		HAAAHM
O=C(COc1ccccc1)Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000015221631	558728522	/nfs/dbraw/zinc/72/85/22/558728522.db2.gz	FOOYAXZEBFXEJD-MJRMRKOOSA-N	-1	3	417.378	-1.251	50	0		HAAAHM
Cn1cc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)cc1C(N)=O	ZINC000024842530	558617039	/nfs/dbraw/zinc/61/70/39/558617039.db2.gz	BWONXYYAWDIMGA-JTQLQIEISA-N	-1	3	412.428	-2.445	50	0		HAAAHM
Cn1cc(S(=O)(=O)N2CCN(C(=O)C[C@H]3NC(=O)[N-]C3=O)CC2)cc1C(N)=O	ZINC000024842534	558617159	/nfs/dbraw/zinc/61/71/59/558617159.db2.gz	BWONXYYAWDIMGA-SNVBAGLBSA-N	-1	3	412.428	-2.445	50	0		HAAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)Nc1ccc(-n2nnc(C(N)=O)c2N)cc1	ZINC000033435986	559192552	/nfs/dbraw/zinc/19/25/52/559192552.db2.gz	YVHGSJPEJRQGCH-UHFFFAOYSA-N	-1	3	406.384	-1.566	50	0		HAAAHM