smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH2+]=C(Nc1nc2c(c(=O)[nH]1)CCCC2)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000039404046	205042364	/nfs/dbraw/zinc/04/23/64/205042364.db2.gz	YVUJAGJKXPYIHZ-QWHCGFSZSA-N	1	2	380.452	0.876	40	30		GCEBLO
COc1ccc(/C=N/NC(=S)NCC[NH+]2CCOCC2)c(OC)c1OC	ZINC000020786304	523444661	/nfs/dbraw/zinc/44/46/61/523444661.db2.gz	ZWHWCFACYYEGAS-XDHOZWIPSA-N	1	2	382.486	0.843	40	30		GCEBLO
CCCCn1c(C)nc2c1C(=NNC(N)=[NH2+])c1ccccc1C2=NNC(=N)N	ZINC000104392139	570302590	/nfs/dbraw/zinc/30/25/90/570302590.db2.gz	ZWLFAKQICPWLJS-GUJRAXHGSA-N	1	2	380.460	0.776	40	30		GCEBLO
CCCCn1c(C)nc2c1C(=NNC(N)=[NH2+])c1ccccc1C2=NNC(=N)N	ZINC000104392134	570302698	/nfs/dbraw/zinc/30/26/98/570302698.db2.gz	ZWLFAKQICPWLJS-YVKAKTRNSA-N	1	2	380.460	0.776	40	30		GCEBLO
COc1cc(C)c(S(=O)(=O)NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)[O-])c(C)c1C	ZINC000002555111	570290586	/nfs/dbraw/zinc/29/05/86/570290586.db2.gz	FUSAEZSSVDNYPO-GFCCVEGCSA-N	1	2	386.474	0.406	40	30		GCEBLO
C=CCNC(=O)N[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCN(c3ccccc3)CC2)[C@H]1O	ZINC000012489800	291099271	/nfs/dbraw/zinc/09/92/71/291099271.db2.gz	XCNQJYBQNRLOFL-IEWDOMPSSA-N	1	2	388.468	0.147	40	30	biogenic,in-vitro	GCEBLO