smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cc(O)c([O-])c(F)c1	224797323	1188787573	/nfs/dbraw/zinc/78/75/73/1188787573.db2.gz	WSVCAHMJHGERKT-UHFFFAOYSA-N	-1	1	186.138	1.024	40	10		ADCBMM
CCC(C)=C1SC(=S)[N-]C1=O	33247752	343104258	/nfs/dbraw/zinc/10/42/58/343104258.db2.gz	KYHPVTRYVXMKSZ-PLNGDYQASA-N	-1	1	187.289	1.818	40	10		ADCBMM
CC=C1SC(=S)[N-]C1=O	16892172	166066352	/nfs/dbraw/zinc/06/63/52/166066352.db2.gz	WERNCCVZMCGANB-NSCUHMNNSA-N	-1	1	159.235	1.038	40	10		ADCBMM
CC=C1SC(=S)[N-]C1=O	1673393	166066486	/nfs/dbraw/zinc/06/64/86/166066486.db2.gz	WERNCCVZMCGANB-IHWYPQMZSA-N	-1	1	159.235	1.038	40	10		ADCBMM
CCCC(=O)c1cc(O)c([O-])c(O)c1	1676258	166835495	/nfs/dbraw/zinc/83/54/95/166835495.db2.gz	KFUVJFWTFJUUSA-UHFFFAOYSA-N	-1	1	196.202	1.786	40	10		ADCBMM
CSCC(=O)c1ccc([O-])c(O)c1	34133121	168299030	/nfs/dbraw/zinc/29/90/30/168299030.db2.gz	QCNZQIFOEXLRDS-UHFFFAOYSA-N	-1	1	198.243	1.644	40	10		ADCBMM
N#C[N-][N+](=O)c1ccc(C(=O)[O-])cc1	43379696	169091046	/nfs/dbraw/zinc/09/10/46/169091046.db2.gz	LDRFVNKBORCKQS-KHPPLWFESA-N	-1	1	191.146	1.460	40	10		ADCBMM
O=C1c2ccccc2C(=O)c2[n-]cnc21	1653222	169393722	/nfs/dbraw/zinc/39/37/22/169393722.db2.gz	ABVGDXLCJRFCOD-UHFFFAOYSA-N	-1	1	198.181	1.185	40	10		ADCBMM
Cc1cc2cc(O)c([O-])cc2oc1=O	71404357	343552394	/nfs/dbraw/zinc/55/23/94/343552394.db2.gz	AUKPTCDSMZHDDA-UHFFFAOYSA-N	-1	1	192.170	1.513	40	10		ADCBMM
CCc1cc([O-])c(C(=O)OC)s1	96528515	343699529	/nfs/dbraw/zinc/69/95/29/343699529.db2.gz	QWRJIWQGMKZMLQ-UHFFFAOYSA-N	-1	1	186.232	1.803	40	10		ADCBMM
CC(C)C(=O)c1ccc([O-])c(O)c1	1641376	351291671	/nfs/dbraw/zinc/29/16/71/351291671.db2.gz	VDQLKIBLTMPAHI-UHFFFAOYSA-N	-1	1	180.203	1.937	40	10	in-vitro	ADCBMM
[O-]c1c(O)ccc2ccoc12	21985535	351409715	/nfs/dbraw/zinc/40/97/15/351409715.db2.gz	UFZOZLVMNCFAQO-UHFFFAOYSA-N	-1	1	150.133	1.844	40	10		ADCBMM
[O-]c1cc(F)cc(F)c1O	39088256	351490149	/nfs/dbraw/zinc/49/01/49/351490149.db2.gz	WDTUVOYCNUIEFT-UHFFFAOYSA-N	-1	1	146.092	1.376	40	10		ADCBMM
[N-]=[N+]=NCC(=O)c1ccc([O-])cc1	100475784	351697687	/nfs/dbraw/zinc/69/76/87/351697687.db2.gz	JGEUWOSZJOFDAS-UHFFFAOYSA-N	-1	1	177.163	1.885	40	10		ADCBMM
Cc1cccc2c1NS(=O)(=O)[N-]2	2524419	524952201	/nfs/dbraw/zinc/95/22/01/524952201.db2.gz	PPQHHNDXEMBSKB-UHFFFAOYSA-N	-1	1	184.220	1.077	40	10		ADCBMM
C[C@H](NN)c1ccc(F)cc1[O-]	62748737	525498445	/nfs/dbraw/zinc/49/84/45/525498445.db2.gz	DOKVWJNUGCQRBG-YFKPBYRVSA-N	-1	1	170.187	1.056	40	10		ADCBMM
C[C@@H](NN)c1ccc(F)cc1[O-]	62748738	525568687	/nfs/dbraw/zinc/56/86/87/525568687.db2.gz	DOKVWJNUGCQRBG-RXMQYKEDSA-N	-1	1	170.187	1.056	40	10		ADCBMM
Cc1ccc2c(c1)[N-]S(=O)(=O)N2	2524420	526171562	/nfs/dbraw/zinc/17/15/62/526171562.db2.gz	IGFBADKTYSPZFA-UHFFFAOYSA-N	-1	1	184.220	1.077	40	10		ADCBMM