smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)CC[C@H](C(=O)[O-])N1C(=O)c2ccc([O-])cc2C1=O	ZINC000001718905	351306001	/nfs/dbraw/zinc/30/60/01/351306001.db2.gz	OMADFDXNAFQWOZ-SECBINFHSA-N	-2	1	292.247	-0.293	40	0		CBABML
COC(=O)c1ccccc1S(=O)(=O)[N-]c1nnn[n-]1	ZINC000004389091	351319277	/nfs/dbraw/zinc/31/92/77/351319277.db2.gz	LMCLUXWWRQFWBQ-UHFFFAOYSA-N	-2	1	283.269	-0.213	40	0		CBABML
Cc1cc(=O)[n-]c([C@H]2CN(CC(=O)[O-])CCO2)n1	ZINC000257217112	190014286	/nfs/dbraw/zinc/01/42/86/190014286.db2.gz	CXNAHKZPBRHKCN-MRVPVSSYSA-N	-2	1	253.258	-0.051	40	0		CBABML
O=C([O-])C[C@@H](C[S@](=O)C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000005502155	304073522	/nfs/dbraw/zinc/07/35/22/304073522.db2.gz	ZSUMMIONAWKOPK-FOIQGAMDSA-N	-3	1	274.187	-0.954	40	0		CBABML
O=C([O-])C[C@@H](C[S@@](=O)C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000005502153	304073637	/nfs/dbraw/zinc/07/36/37/304073637.db2.gz	ZSUMMIONAWKOPK-LQMFNZFOSA-N	-3	1	274.187	-0.954	40	0		CBABML
COC(=O)[C@@H]([C@H](C(=O)OC)[P@H](=O)[O-])[PH](=O)[O-]	ZINC000015188642	351340890	/nfs/dbraw/zinc/34/08/90/351340890.db2.gz	BPYIRXBRBUWDRR-QWWZWVQMSA-N	-2	1	274.102	-0.996	40	0		CBABML
O=C1[N-]OC[C@H]1n1c2c(c(=S)[n-]c1=O)CCC2	ZINC000409430615	353927817	/nfs/dbraw/zinc/92/78/17/353927817.db2.gz	MSEHYTNHMJPITA-SSDOTTSWSA-N	-2	1	253.283	-0.377	40	0		CBABML
NC(=O)CC[C@@H](C(=O)[O-])N1C(=O)c2ccc([O-])cc2C1=O	ZINC000002036484	351306732	/nfs/dbraw/zinc/30/67/32/351306732.db2.gz	OMADFDXNAFQWOZ-VIFPVBQESA-N	-2	1	292.247	-0.293	40	0		CBABML
COC(=O)[C@H]([C@@H](C(=O)OC)[P@H](=O)[O-])[PH](=O)[O-]	ZINC000015188640	351340505	/nfs/dbraw/zinc/34/05/05/351340505.db2.gz	BPYIRXBRBUWDRR-IMJSIDKUSA-N	-2	1	274.102	-0.996	40	0		CBABML
Cc1cc(=O)[n-]c([C@@H]2CN(CC(=O)[O-])CCO2)n1	ZINC000257217113	190013631	/nfs/dbraw/zinc/01/36/31/190013631.db2.gz	CXNAHKZPBRHKCN-QMMMGPOBSA-N	-2	1	253.258	-0.051	40	0		CBABML
O=C([O-])C[C@H](C[S@](=O)C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000005502262	304081562	/nfs/dbraw/zinc/08/15/62/304081562.db2.gz	ZSUMMIONAWKOPK-SOQXXWAFSA-N	-3	1	274.187	-0.954	40	0		CBABML
O=C1[N-]OC[C@@H]1n1c2c(c(=S)[n-]c1=O)CCC2	ZINC000409430648	353927883	/nfs/dbraw/zinc/92/78/83/353927883.db2.gz	MSEHYTNHMJPITA-ZETCQYMHSA-N	-2	1	253.283	-0.377	40	0		CBABML
CS(=O)(=O)c1cn[n-]c1[C@H]1COCCN1CC(=O)[O-]	ZINC000257235289	352385472	/nfs/dbraw/zinc/38/54/72/352385472.db2.gz	GXFCZUHZRSJJFD-SSDOTTSWSA-N	-2	1	289.313	-0.729	40	0		CBABML
CS(=O)(=O)c1c[n-]nc1[C@H]1COCCN1CC(=O)[O-]	ZINC000257235289	352385475	/nfs/dbraw/zinc/38/54/75/352385475.db2.gz	GXFCZUHZRSJJFD-SSDOTTSWSA-N	-2	1	289.313	-0.729	40	0		CBABML
O=C([O-])CN1C(=O)SC(=C2SC(=O)[N-]C2=O)C1=O	ZINC000065090553	304066807	/nfs/dbraw/zinc/06/68/07/304066807.db2.gz	OAZWNPWBIACFBD-ONEGZZNKSA-N	-2	1	288.262	-0.039	40	0		CBABML
CS(=O)(=O)c1cn[n-]c1[C@@H]1COCCN1CC(=O)[O-]	ZINC000257235290	352385562	/nfs/dbraw/zinc/38/55/62/352385562.db2.gz	GXFCZUHZRSJJFD-ZETCQYMHSA-N	-2	1	289.313	-0.729	40	0		CBABML
CS(=O)(=O)c1c[n-]nc1[C@@H]1COCCN1CC(=O)[O-]	ZINC000257235290	352385565	/nfs/dbraw/zinc/38/55/65/352385565.db2.gz	GXFCZUHZRSJJFD-ZETCQYMHSA-N	-2	1	289.313	-0.729	40	0		CBABML
CCO[P@](=O)([O-])CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000001865661	351306783	/nfs/dbraw/zinc/30/67/83/351306783.db2.gz	GYKQVOROPQJYRE-YFKPBYRVSA-N	-3	1	283.173	-0.748	40	0		CBABML
NS(=O)(=O)c1ccc(-n2[n-]c(C(=O)[O-])cc2=O)cc1	ZINC000217700982	372868611	/nfs/dbraw/zinc/86/86/11/372868611.db2.gz	ZYJLPEXOLYEPLV-UHFFFAOYSA-N	-2	1	283.265	-0.077	40	0		CBABML
CCO[P@](=O)([O-])CC(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000001865662	351306482	/nfs/dbraw/zinc/30/64/82/351306482.db2.gz	GYKQVOROPQJYRE-RXMQYKEDSA-N	-3	1	283.173	-0.748	40	0		CBABML
O=C([O-])C[C@H](C[S@@](=O)C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000005502260	304081398	/nfs/dbraw/zinc/08/13/98/304081398.db2.gz	ZSUMMIONAWKOPK-ONLIEAOESA-N	-3	1	274.187	-0.954	40	0		CBABML