smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccc(O)cc2[O-])[C@H]2C(=O)NC(=O)[C@H]21	ZINC000247968377	300786366	/nfs/dbraw/zinc/78/63/66/300786366.db2.gz	RGJVZKZVBZRDRG-RZGXBDKHSA-N	-1	3	306.274	-0.526	40	10		DBCBHM
CN1CCN(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)CC1	ZINC000026441440	182441352	/nfs/dbraw/zinc/44/13/52/182441352.db2.gz	RRMVLPYRJZIHQG-BENRWUELSA-N	-1	3	318.333	-0.011	40	10		DBCBHM
COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1[O-])NN2C	ZINC000102801864	285008323	/nfs/dbraw/zinc/00/83/23/285008323.db2.gz	VZZAEMZUBFUCHC-YNEHKIRRSA-N	-1	3	305.334	-0.117	40	10		DBCBHM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccc(O)cc2[O-])[C@@H]2C(=O)NC(=O)[C@H]21	ZINC000247968375	300786371	/nfs/dbraw/zinc/78/63/71/300786371.db2.gz	RGJVZKZVBZRDRG-PUXPGTEJSA-N	-1	3	306.274	-0.526	40	10		DBCBHM
COCCN1C(=O)[C@H]2[C@H](c3ccccc3[O-])NN(C)[C@@H]2C1=O	ZINC000138566456	186017987	/nfs/dbraw/zinc/01/79/87/186017987.db2.gz	VZZAEMZUBFUCHC-AVGNSLFASA-N	-1	3	305.334	-0.117	40	10		DBCBHM
CN1CCN(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)CC1	ZINC000013546882	273892775	/nfs/dbraw/zinc/89/27/75/273892775.db2.gz	RRMVLPYRJZIHQG-ZRDIBKRKSA-N	-1	3	318.333	-0.011	40	10		DBCBHM
Nc1[nH]c(=O)[n-]c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000017747692	374385874	/nfs/dbraw/zinc/38/58/74/374385874.db2.gz	WFAXTQUMPXIYGS-FOCLMDBBSA-N	-1	3	310.295	-0.292	40	10		DBCBHM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccc(O)cc2[O-])[C@H]2C(=O)NC(=O)[C@@H]21	ZINC000015277031	374371160	/nfs/dbraw/zinc/37/11/60/374371160.db2.gz	RGJVZKZVBZRDRG-KSQLKPTDSA-N	-1	3	306.274	-0.526	40	10		DBCBHM
COCCN1C(=O)[C@H]2[C@@H](c3ccccc3[O-])NN(C)[C@@H]2C1=O	ZINC000102801860	285008299	/nfs/dbraw/zinc/00/82/99/285008299.db2.gz	VZZAEMZUBFUCHC-XQQFMLRXSA-N	-1	3	305.334	-0.117	40	10		DBCBHM
CN1CCN(NC=C2C(=O)[N-]C(=S)N(C3CC3)C2=O)CC1	ZINC000002383523	977392947	/nfs/dbraw/zinc/39/29/47/977392947.db2.gz	DBJQCOIPMYNONL-NTMALXAHSA-N	-1	3	309.395	-0.132	40	10		DBCBHM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccc(O)cc2[O-])[C@@H]2C(=O)NC(=O)[C@@H]21	ZINC000217538390	300786341	/nfs/dbraw/zinc/78/63/41/300786341.db2.gz	RGJVZKZVBZRDRG-ZSJJWGNYSA-N	-1	3	306.274	-0.526	40	10		DBCBHM