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)COc1ccc(Cl)cc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000001103872	435959666	/nfs/dbraw/zinc/95/96/66/435959666.db2.gz	GMWKISVKAZUNSS-UHFFFAOYSA-N	-1	1	339.760	0.118	40	10		ECCBMM
Cn1ccnc1CN1C(=O)CO[C@H]2CN(Cc3ccccc3O)C[C@H]21	ZINC000067897340	436727414	/nfs/dbraw/zinc/72/74/14/436727414.db2.gz	HIBCMJPJXKSCMY-ZBFHGGJFSA-N	-1	1	342.399	0.738	40	10	biogenic,in-vitro	ECCBMM
CC(C)OC(=O)COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000409189162	438583376	/nfs/dbraw/zinc/58/33/76/438583376.db2.gz	JCVACOMRFUAYNY-UHFFFAOYSA-N	-1	1	348.380	0.931	40	10		ECCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(N2CCOCC2)c(F)c1	ZINC000409127979	254764767	/nfs/dbraw/zinc/76/47/67/254764767.db2.gz	RFCLWXZNWGZHLO-UHFFFAOYSA-N	-1	1	335.360	0.577	40	10		ECCBMM
O=C([O-])CCC(=O)Nc1ccccc1NC=C1C(=O)NC(=O)NC1=O	ZINC000016450455	436091582	/nfs/dbraw/zinc/09/15/82/436091582.db2.gz	KRRUQTLGWNZFRT-UHFFFAOYSA-N	-1	1	346.299	0.152	40	10		ECCBMM
NS(=O)(=O)c1ccc(NN=C2N=c3[n-]c(=O)[nH]c(=O)c3=N2)cc1	ZINC000100133150	436545507	/nfs/dbraw/zinc/54/55/07/436545507.db2.gz	WRIWGGIOJCHIRO-ZCXUNETKSA-N	-1	1	335.305	0.827	40	10	in-vitro	ECCBMM
CCOC(=O)COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000408988599	438583672	/nfs/dbraw/zinc/58/36/72/438583672.db2.gz	IMOAEQILCRBOSM-UHFFFAOYSA-N	-1	1	334.353	0.543	40	10		ECCBMM
COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409232637	438583168	/nfs/dbraw/zinc/58/31/68/438583168.db2.gz	ATXWFZBOJJEINJ-SSDOTTSWSA-N	-1	1	334.284	0.297	40	10		ECCBMM
NC(=O)COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl	ZINC000409222314	438583589	/nfs/dbraw/zinc/58/35/89/438583589.db2.gz	CEVREBJFGPPTRG-UHFFFAOYSA-N	-1	1	339.760	0.118	40	10		ECCBMM
CCN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)C(=O)[N-]C1=S	ZINC000409393725	438583952	/nfs/dbraw/zinc/58/39/52/438583952.db2.gz	ZLCXFDJNDINRHI-PKNBQFBNSA-N	-1	1	335.385	0.763	40	10		ECCBMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(C)C1=O	ZINC000100276662	219095913	/nfs/dbraw/zinc/09/59/13/219095913.db2.gz	IAOHPMJXVFPVEZ-SERMCNLOSA-N	-1	1	326.312	0.660	40	10		ECCBMM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CN2CCN(C)CC2)C1=O	ZINC000408529295	302103707	/nfs/dbraw/zinc/10/37/07/302103707.db2.gz	HKFHWAIKVRFALF-ACCUITESSA-N	-1	1	328.372	0.709	40	10		ECCBMM
COC(=O)COc1ccccc1C=C1C(=O)[N-]C(=S)N(C)C1=O	ZINC000408915483	438583542	/nfs/dbraw/zinc/58/35/42/438583542.db2.gz	WCCVWLGJUSQACK-JXMROGBWSA-N	-1	1	334.353	0.495	40	10		ECCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc2sc(=O)oc21	ZINC000005720197	210523560	/nfs/dbraw/zinc/52/35/60/210523560.db2.gz	HVTKLOWEMMSBHN-UHFFFAOYSA-N	-1	1	336.350	0.777	40	10		ECCBMM
CC(=O)N1C[C@@H]2CN(Cc3ccccc3O)CCN2[C@](C)(CO)C1	ZINC000514288325	438814077	/nfs/dbraw/zinc/81/40/77/438814077.db2.gz	BYGYPBMKUWFKPT-WMZOPIPTSA-N	-1	1	333.432	0.492	40	10	biogenic,in-vitro	ECCBMM
COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409232640	438583287	/nfs/dbraw/zinc/58/32/87/438583287.db2.gz	ATXWFZBOJJEINJ-ZETCQYMHSA-N	-1	1	334.284	0.297	40	10		ECCBMM
Nc1nc2[nH]c(N=Nc3ccc(S(=O)(=O)[O-])cc3)nc2c(=O)[nH]1	ZINC000017285079	436099434	/nfs/dbraw/zinc/09/94/34/436099434.db2.gz	WLZVIPJWGHVKJK-ZCXUNETKSA-N	-1	1	335.305	0.891	40	10		ECCBMM
COc1cc(OC)c(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(OC)c1	ZINC000408911371	438583647	/nfs/dbraw/zinc/58/36/47/438583647.db2.gz	NBYUFPJETOVFCZ-JXMROGBWSA-N	-1	1	336.369	0.969	40	10		ECCBMM
CN1C(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)C(=O)[N-]C1=S	ZINC000409148924	438583421	/nfs/dbraw/zinc/58/34/21/438583421.db2.gz	UNEGHGXYIKHJHL-DHZHZOJOSA-N	-1	1	349.387	0.919	40	10		ECCBMM
O=S1(=O)N[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]2Oc2ncccc21	ZINC000514289561	438813342	/nfs/dbraw/zinc/81/33/42/438813342.db2.gz	LDHBHESZNGIKLU-OCCSQVGLSA-N	-1	1	347.396	0.711	40	10	biogenic,in-vitro	ECCBMM
Cc1cc(N2CCOCC2)ccc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000224956399	564034230	/nfs/dbraw/zinc/03/42/30/564034230.db2.gz	FAWWTKCUGRGFEL-UHFFFAOYSA-N	-1	1	331.397	0.746	40	10		ECCBMM
Cn1c2ccc(C=C3C(=O)[N-]C(=S)N(C)C3=O)cc2n(C)c1=O	ZINC000033658155	279317204	/nfs/dbraw/zinc/31/72/04/279317204.db2.gz	UFHNFUKCCAZBBX-RMKNXTFCSA-N	-1	1	330.369	0.974	40	10		ECCBMM
NS(=O)(=O)c1ccc(NN=C2N=c3[n-]c(=O)[nH]c(=O)c3=N2)cc1	ZINC000018168478	436102765	/nfs/dbraw/zinc/10/27/65/436102765.db2.gz	WRIWGGIOJCHIRO-ISLYRVAYSA-N	-1	1	335.305	0.366	40	10	in-vitro	ECCBMM