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)NC(=O)[C@@](O)([C@]2(O)C(=O)NC(=O)N(C)C2=O)C1=O	ZINC000140021320	372779728	/nfs/dbraw/zinc/77/97/28/372779728.db2.gz	WIMQEQRWPNJYRH-UWVGGRQHSA-N	0	2	314.210	-4.135	50	0		DAAALN
CN1C(=O)NC(=O)[C@](O)([C@]2(O)C(=O)NC(=O)N(C)C2=O)C1=O	ZINC000140021500	372866220	/nfs/dbraw/zinc/86/62/20/372866220.db2.gz	WIMQEQRWPNJYRH-AOOOYVTPSA-N	0	2	314.210	-4.135	50	0		DAAALN
O=C(NCCO)C(C(=O)NCCO)[C@H]1CCS(=O)(=O)C1	ZINC000003681341	181044643	/nfs/dbraw/zinc/04/46/43/181044643.db2.gz	JBPRPMMLWZVNGV-QMMMGPOBSA-N	0	2	308.356	-2.746	50	0		DAAALN
NC(=O)[C@@H]1CCN(C(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C1	ZINC000053894914	373316361	/nfs/dbraw/zinc/31/63/61/373316361.db2.gz	ICODGDFEFSZSAP-ZCFIWIBFSA-N	0	2	303.278	-1.029	50	0		DAAALN
CS(=O)(=O)N1CC[N@H+](CC(=O)NC2CC2)C[C@H](C(=O)[O-])C1	ZINC000097569046	373271268	/nfs/dbraw/zinc/27/12/68/373271268.db2.gz	PONNQDANJCNRHY-VIFPVBQESA-N	0	2	319.383	-1.457	50	0		DAAALN
CS(=O)(=O)N1CC[N@@H+](CC(=O)NC2CC2)C[C@H](C(=O)[O-])C1	ZINC000097569046	373271284	/nfs/dbraw/zinc/27/12/84/373271284.db2.gz	PONNQDANJCNRHY-VIFPVBQESA-N	0	2	319.383	-1.457	50	0		DAAALN
COCCCN1CC[N@H+](CC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000077323435	292353895	/nfs/dbraw/zinc/35/38/95/292353895.db2.gz	KXTDZXANQZUQNC-WDEREUQCSA-N	0	2	306.384	-1.109	50	0		DAAALN
COCCCN1CC[N@@H+](CC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000077323435	292353897	/nfs/dbraw/zinc/35/38/97/292353897.db2.gz	KXTDZXANQZUQNC-WDEREUQCSA-N	0	2	306.384	-1.109	50	0		DAAALN
O=C(CN1CCN(c2ncccn2)CC1)NCc1n[nH]c(=O)[nH]1	ZINC000670452572	545832805	/nfs/dbraw/zinc/83/28/05/545832805.db2.gz	CSDUSGYTLNLBIU-UHFFFAOYSA-N	0	2	318.341	-1.261	50	0		DAAALN
Cc1cc(=O)n2nc(CC(=O)N3CC[C@H](O)[C@@H](O)C3)[nH]c2n1	ZINC000072145632	191050876	/nfs/dbraw/zinc/05/08/76/191050876.db2.gz	DNQOWHWCVRQUOV-IUCAKERBSA-N	0	2	307.310	-1.365	50	0		DAAALN
CN1C(=O)NC(=O)[C@](O)([C@@]2(O)C(=O)NC(=O)N(C)C2=O)C1=O	ZINC000140021647	289850396	/nfs/dbraw/zinc/85/03/96/289850396.db2.gz	WIMQEQRWPNJYRH-NXEZZACHSA-N	0	2	314.210	-4.135	50	0		DAAALN
Nc1ncc(C[N@@H+]2CCN(C(=O)CCC(=O)[O-])C[C@@H](O)C2)cn1	ZINC000097402529	372846020	/nfs/dbraw/zinc/84/60/20/372846020.db2.gz	MLYRGSVMSLSGKI-NSHDSACASA-N	0	2	323.353	-1.071	50	0		DAAALN
Nc1ncc(C[N@H+]2CCN(C(=O)CCC(=O)[O-])C[C@@H](O)C2)cn1	ZINC000097402529	372846029	/nfs/dbraw/zinc/84/60/29/372846029.db2.gz	MLYRGSVMSLSGKI-NSHDSACASA-N	0	2	323.353	-1.071	50	0		DAAALN
Nc1ncc(C[N@@H+]2CCN(C(=O)CCC(=O)[O-])C[C@H](O)C2)cn1	ZINC000097402528	372846892	/nfs/dbraw/zinc/84/68/92/372846892.db2.gz	MLYRGSVMSLSGKI-LLVKDONJSA-N	0	2	323.353	-1.071	50	0		DAAALN
Nc1ncc(C[N@H+]2CCN(C(=O)CCC(=O)[O-])C[C@H](O)C2)cn1	ZINC000097402528	372846898	/nfs/dbraw/zinc/84/68/98/372846898.db2.gz	MLYRGSVMSLSGKI-LLVKDONJSA-N	0	2	323.353	-1.071	50	0		DAAALN
NC(=O)[C@H]1CCN(C(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C1	ZINC000053894913	373318070	/nfs/dbraw/zinc/31/80/70/373318070.db2.gz	ICODGDFEFSZSAP-LURJTMIESA-N	0	2	303.278	-1.029	50	0		DAAALN
O=C(C[N@H+]1CCC[C@H](O)C1)N1CCN(Cc2nnc[nH]2)CC1	ZINC000828627422	776212849	/nfs/dbraw/zinc/21/28/49/776212849.db2.gz	UFGQERFSOPWOQD-LBPRGKRZSA-N	0	2	308.386	-1.094	50	0		DAAALN
O=C(C[N@@H+]1CCC[C@H](O)C1)N1CCN(Cc2nnc[nH]2)CC1	ZINC000828627422	776212857	/nfs/dbraw/zinc/21/28/57/776212857.db2.gz	UFGQERFSOPWOQD-LBPRGKRZSA-N	0	2	308.386	-1.094	50	0		DAAALN
O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCN(Cc2nnc[nH]2)CC1	ZINC000828627421	776213625	/nfs/dbraw/zinc/21/36/25/776213625.db2.gz	UFGQERFSOPWOQD-GFCCVEGCSA-N	0	2	308.386	-1.094	50	0		DAAALN
O=C(C[N@@H+]1CCC[C@@H](O)C1)N1CCN(Cc2nnc[nH]2)CC1	ZINC000828627421	776213631	/nfs/dbraw/zinc/21/36/31/776213631.db2.gz	UFGQERFSOPWOQD-GFCCVEGCSA-N	0	2	308.386	-1.094	50	0		DAAALN
O=S1(=O)CC[C@H](NC(=S)N[C@H]2CCS(=O)(=O)C2)C1	ZINC000003681343	181044841	/nfs/dbraw/zinc/04/48/41/181044841.db2.gz	XEFICVPSYOOJMW-YUMQZZPRSA-N	0	2	312.438	-1.175	50	0		DAAALN
CS(=O)(=O)N1CC[N@H+](CC(=O)NC2CC2)C[C@@H](C(=O)[O-])C1	ZINC000217207293	373274609	/nfs/dbraw/zinc/27/46/09/373274609.db2.gz	PONNQDANJCNRHY-SECBINFHSA-N	0	2	319.383	-1.457	50	0		DAAALN
CS(=O)(=O)N1CC[N@@H+](CC(=O)NC2CC2)C[C@@H](C(=O)[O-])C1	ZINC000217207293	373274617	/nfs/dbraw/zinc/27/46/17/373274617.db2.gz	PONNQDANJCNRHY-SECBINFHSA-N	0	2	319.383	-1.457	50	0		DAAALN