smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC[NH2+][C@@H](Cc1cnc[nH]1)C(=O)[O-]	5827995	166024274	/nfs/dbraw/zinc/02/42/74/166024274.db2.gz	SVZLFLOVBBGVRX-QMMMGPOBSA-N	0	1	193.206	-0.372	1	30		ABEFMN
C#CC[NH2+][C@H](Cc1cnc[nH]1)C(=O)[O-]	5828002	166027666	/nfs/dbraw/zinc/02/76/66/166027666.db2.gz	SVZLFLOVBBGVRX-MRVPVSSYSA-N	0	1	193.206	-0.372	1	30		ABEFMN
CC(=O)N(CC#CCN(C)C)C(C)=O	27651983	166254112	/nfs/dbraw/zinc/25/41/12/166254112.db2.gz	WXPYSTCSWHWQCS-UHFFFAOYSA-N	0	1	196.250	-0.054	1	30		ABEFMN
CC(=O)N(O)CCCc1nn[nH]n1	72140940	166254662	/nfs/dbraw/zinc/25/46/62/166254662.db2.gz	QLCNRFXRAHTXKY-UHFFFAOYSA-N	0	1	185.187	-0.630	1	30		ABEFMN
Cn1cncc1/C(=N/O)[N+](=O)[O-]	28466140	169057671	/nfs/dbraw/zinc/05/76/71/169057671.db2.gz	LWURFBRPXGZLCO-ALCCZGGFSA-N	0	1	170.128	-0.167	1	30		ABEFMN
Cn1ncc2c1N(O)C(=O)[C@@H](N)C2	95603138	169064449	/nfs/dbraw/zinc/06/44/49/169064449.db2.gz	OETBHDOEBPITJA-YFKPBYRVSA-N	0	1	182.183	-0.974	1	30		ABEFMN
[NH3+][C@@H](Cc1c[nH]cn1)C(=O)CS	169321739	169248192	/nfs/dbraw/zinc/24/81/92/169248192.db2.gz	UYZPKWHAOSHZBE-LURJTMIESA-N	0	1	185.252	-0.222	1	30		ABEFMN
N[C@@H](Cc1c[nH]cn1)C(=O)CS	169321739	169248194	/nfs/dbraw/zinc/24/81/94/169248194.db2.gz	UYZPKWHAOSHZBE-LURJTMIESA-N	0	1	185.252	-0.222	1	30		ABEFMN
Nc1nc(O)c2c(n1)C(=O)C=CC2=O	29220146	169305465	/nfs/dbraw/zinc/30/54/65/169305465.db2.gz	HUVIKNUAAJYWNT-UHFFFAOYSA-N	0	1	191.146	-0.300	1	30		ABEFMN
O=C1[C@@H]2C[C@@H](C[NH2+]2)CN1[O-]	27868463	169392756	/nfs/dbraw/zinc/39/27/56/169392756.db2.gz	MNFGGTHYHXZMPO-WHFBIAKZSA-N	0	1	142.158	-0.804	1	30		ABEFMN
O=C1[C@@H]2C[C@@H](CC[NH2+]2)N1[O-]	11688675	169392825	/nfs/dbraw/zinc/39/28/25/169392825.db2.gz	TVHDOQRUZFTFEE-UHNVWZDZSA-N	0	1	142.158	-0.662	1	30		ABEFMN
O=C1[C@H]2C[C@H](CC[NH2+]2)N1[O-]	4888	169393346	/nfs/dbraw/zinc/39/33/46/169393346.db2.gz	TVHDOQRUZFTFEE-CRCLSJGQSA-N	0	1	142.158	-0.662	1	30		ABEFMN
O=C1[C@H]2C[C@H](C[NH2+]2)CN1[O-]	27868468	169393865	/nfs/dbraw/zinc/39/38/65/169393865.db2.gz	MNFGGTHYHXZMPO-RFZPGFLSSA-N	0	1	142.158	-0.804	1	30		ABEFMN
COC(=O)N(O)C(C)=O	95909270	560060012	/nfs/dbraw/zinc/06/00/12/560060012.db2.gz	SXERDDNDADXSNW-UHFFFAOYSA-N	0	1	133.103	-0.010	1	30	biogenic,in-vitro	ABEFMN
C=C([NH3+])CC(=O)[O-]	5157354	560200985	/nfs/dbraw/zinc/20/09/85/560200985.db2.gz	CYRZPEIALWEMOP-UHFFFAOYSA-N	0	1	101.105	-0.067	1	30	in-vitro	ABEFMN