smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1CN[C@H](c1ccc(C#N)cc1)P(=O)([O-])[O-]	ZINC000012949527	425745062	/nfs/dbraw/zinc/74/50/62/425745062.db2.gz	ATJLENOAAIVEGN-INIZCTEOSA-N	-2	3	316.297	2.833	50	30		DFEAHL
N#Cc1ccc([C@@H](NCc2ccccc2)P(=O)([O-])[O-])cc1	ZINC000012997459	425744990	/nfs/dbraw/zinc/74/49/90/425744990.db2.gz	JCFZIZYTCYSFRD-HNNXBMFYSA-N	-2	3	302.270	2.524	50	30		DFEAHL
O=c1[nH][n-]cc1CCCN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000100241913	426481756	/nfs/dbraw/zinc/48/17/56/426481756.db2.gz	QWAVLXQSJRZFHH-NGZXACEBSA-N	-2	3	314.172	2.630	50	30		DFEAHL
N#Cc1cccc([C@@H](NCc2ccc(F)cc2)P(=O)([O-])[O-])c1	ZINC000012997476	425745220	/nfs/dbraw/zinc/74/52/20/425745220.db2.gz	WYGXMJPJYAAHET-HNNXBMFYSA-N	-2	3	320.260	2.663	50	30		DFEAHL
Cc1cc(=O)[n-]c(NN=Cc2cc(Cl)cc(Cl)c2[O-])n1	ZINC000016512989	301059308	/nfs/dbraw/zinc/05/93/08/301059308.db2.gz	MCTCBIXMGIERBB-PJQLUOCWSA-N	-2	3	313.144	2.537	50	30		DFEAHL
[O-]c1ccccc1C=NNc1nnc2c3ccccc3nc-2[n-]1	ZINC000252620803	427190402	/nfs/dbraw/zinc/19/04/02/427190402.db2.gz	MMJFQDHFSSBKKE-UHFFFAOYSA-N	-2	3	304.313	2.658	50	30		DFEAHL
[O-]c1cc(O)ccc1C=Nn1c(=S)[n-]nc1-c1ccccc1	ZINC000001261480	425576030	/nfs/dbraw/zinc/57/60/30/425576030.db2.gz	MVSQTHLGAZOAJC-CXUHLZMHSA-N	-2	3	312.354	2.901	50	30		DFEAHL
Cc1cccc2c1nc1[n-]c(NN=Cc3ccccc3[O-])nnc2-1	ZINC000005008828	181189586	/nfs/dbraw/zinc/18/95/86/181189586.db2.gz	LQVUOLVQEHIHMN-NVMNQCDNSA-N	-2	3	318.340	2.966	50	30		DFEAHL
C/C(=N\c1ccc2ccccc2c1)c1c([O-])[n-]c(=O)sc1=O	ZINC000225368222	426597687	/nfs/dbraw/zinc/59/76/87/426597687.db2.gz	UZZCNLDAOHEEGI-RQZCQDPDSA-N	-2	3	312.350	2.796	50	30		DFEAHL
CC(=O)[N-]S(=O)(=O)c1ccc(N=Cc2ccccc2[O-])cc1	ZINC000017039928	182070692	/nfs/dbraw/zinc/07/06/92/182070692.db2.gz	MLJWRQPZMOWUSA-MHWRWJLKSA-N	-2	3	318.354	2.808	50	30		DFEAHL
N#Cc1ccc([C@H](NCc2ccccc2)P(=O)([O-])[O-])cc1	ZINC000012997458	425744551	/nfs/dbraw/zinc/74/45/51/425744551.db2.gz	JCFZIZYTCYSFRD-OAHLLOKOSA-N	-2	3	302.270	2.524	50	30		DFEAHL
Cc1cccc(N=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])c1[O-]	ZINC000252605340	427191480	/nfs/dbraw/zinc/19/14/80/427191480.db2.gz	GIZXNAQGPNDVHX-UHFFFAOYSA-N	-2	3	317.257	2.973	50	30		DFEAHL
COCCOc1ccc(/N=C/c2ccccc2[O-])cc1C(=O)[O-]	ZINC000003126691	425610665	/nfs/dbraw/zinc/61/06/65/425610665.db2.gz	RIMVWHPNRMOADG-WOJGMQOQSA-N	-2	3	315.325	2.866	50	30		DFEAHL
Cc1cccc2c1nc1[n-]c(NN=Cc3ccccc3[O-])nnc2-1	ZINC000252619605	427190627	/nfs/dbraw/zinc/19/06/27/427190627.db2.gz	LQVUOLVQEHIHMN-UHFFFAOYSA-N	-2	3	318.340	2.966	50	30		DFEAHL
N#Cc1cccc([C@H](NCc2ccc(F)cc2)P(=O)([O-])[O-])c1	ZINC000012997474	425745264	/nfs/dbraw/zinc/74/52/64/425745264.db2.gz	WYGXMJPJYAAHET-OAHLLOKOSA-N	-2	3	320.260	2.663	50	30		DFEAHL
COc1cc(/C=C/C(=O)c2cccc([O-])c2)cc([N+](=O)[O-])c1[O-]	ZINC000036329700	425845377	/nfs/dbraw/zinc/84/53/77/425845377.db2.gz	WOXAXDIBTABTBK-AATRIKPKSA-N	-2	3	315.281	2.911	50	30		DFEAHL
Cc1ccccc1CN[C@@H](c1ccc(C#N)cc1)P(=O)([O-])[O-]	ZINC000012949524	425744950	/nfs/dbraw/zinc/74/49/50/425744950.db2.gz	ATJLENOAAIVEGN-MRXNPFEDSA-N	-2	3	316.297	2.833	50	30		DFEAHL
O=c1[nH][n-]cc1CCCN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000100241916	426481509	/nfs/dbraw/zinc/48/15/09/426481509.db2.gz	QWAVLXQSJRZFHH-IYRRMDOYSA-N	-2	3	314.172	2.630	50	30		DFEAHL
Cc1cccc([O-])c1/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000003090401	425609170	/nfs/dbraw/zinc/60/91/70/425609170.db2.gz	JAJRVNHDNYBFSN-VIZOYTHASA-N	-2	3	317.257	2.973	50	30		DFEAHL
C=CCSc1nnc([N-][NH+]=Cc2cccc(CC=C)c2[O-])[n-]1	ZINC000006856334	425629156	/nfs/dbraw/zinc/62/91/56/425629156.db2.gz	AASFHCAAGQWKQJ-MHWRWJLKSA-N	-2	3	315.402	2.963	50	30		DFEAHL
[O-]c1ccccc1C=NNc1nnc2c3ccccc3nc-2[n-]1	ZINC000003897901	181054447	/nfs/dbraw/zinc/05/44/47/181054447.db2.gz	MMJFQDHFSSBKKE-RQZCQDPDSA-N	-2	3	304.313	2.658	50	30		DFEAHL
Cc1n[n-]c(=S)n1N=Cc1cc([O-])ccc1Br	ZINC000002789812	425604032	/nfs/dbraw/zinc/60/40/32/425604032.db2.gz	WTYJNLCNZJBWRV-LFYBBSHMSA-N	-2	3	313.180	2.599	50	30		DFEAHL
CCOc1cc(C=Nn2c(C)n[n-]c2=S)cc(Cl)c1[O-]	ZINC000006499554	181346544	/nfs/dbraw/zinc/34/65/44/181346544.db2.gz	OWIQJOMWMVRMJU-MKMNVTDBSA-N	-2	3	312.782	2.889	50	30		DFEAHL
COc1cc(/C=N/[O-])ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000018105595	182093270	/nfs/dbraw/zinc/09/32/70/182093270.db2.gz	VUMURMIANPQZCK-RQZCQDPDSA-N	-2	3	301.298	2.781	50	30		DFEAHL
COc1cc(C=N[O-])ccc1OCc1cccc(C(=O)[O-])c1	ZINC000250389364	257213829	/nfs/dbraw/zinc/21/38/29/257213829.db2.gz	ROHOMDYTVTWLAA-UHFFFAOYSA-N	-2	3	301.298	2.781	50	30		DFEAHL
Cc1cccc(/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])c1[O-]	ZINC000003147999	425610480	/nfs/dbraw/zinc/61/04/80/425610480.db2.gz	GIZXNAQGPNDVHX-VIZOYTHASA-N	-2	3	317.257	2.973	50	30		DFEAHL
O=C([O-])c1ccccc1CC(=O)Nc1nnc(-c2ccco2)[n-]1	ZINC000071288444	425984474	/nfs/dbraw/zinc/98/44/74/425984474.db2.gz	OZMWQERGLWCERU-UHFFFAOYSA-N	-2	3	312.285	2.594	50	30		DFEAHL
O=C([O-])c1ccccc1CC(=O)Nc1nc(-c2ccco2)n[n-]1	ZINC000071288444	425984477	/nfs/dbraw/zinc/98/44/77/425984477.db2.gz	OZMWQERGLWCERU-UHFFFAOYSA-N	-2	3	312.285	2.594	50	30		DFEAHL
O=C([O-])c1ccccc1CC(=O)Nc1n[n-]c(-c2ccco2)n1	ZINC000071288444	425984481	/nfs/dbraw/zinc/98/44/81/425984481.db2.gz	OZMWQERGLWCERU-UHFFFAOYSA-N	-2	3	312.285	2.594	50	30		DFEAHL