smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCNC(=O)C[N@@H+]1CCCN(c2ccc(-c3nn[nH]n3)nn2)CC1	ZINC000823850983	583343037	/nfs/dbraw/zinc/34/30/37/583343037.db2.gz	XBIXFWMYSYSMKP-UHFFFAOYSA-N	-1	2	341.379	-1.082	20	30		EAEDLM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000831087603	583371513	/nfs/dbraw/zinc/37/15/13/583371513.db2.gz	OBZGQZBAWOKMHC-MRVPVSSYSA-N	-1	2	331.292	-1.214	20	30		EAEDLM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000831087604	583371518	/nfs/dbraw/zinc/37/15/18/583371518.db2.gz	OBZGQZBAWOKMHC-QMMMGPOBSA-N	-1	2	331.292	-1.214	20	30		EAEDLM
N#C[C@H](CO)[N-]C(=O)C(F)(F)C(F)(F)C(=O)N[C@H](C#N)CO	ZINC000854872190	583416229	/nfs/dbraw/zinc/41/62/29/583416229.db2.gz	HADAFPYHZPPIHK-PHDIDXHHSA-N	-1	2	326.206	-1.742	20	30		EAEDLM
N#C[C@@H](CO)[N-]C(=O)C(F)(F)C(F)(F)C(=O)N[C@@H](C#N)CO	ZINC000854872191	583416138	/nfs/dbraw/zinc/41/61/38/583416138.db2.gz	HADAFPYHZPPIHK-WDSKDSINSA-N	-1	2	326.206	-1.742	20	30		EAEDLM
CCONC(=O)CNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000858589117	583420161	/nfs/dbraw/zinc/42/01/61/583420161.db2.gz	CPPRDEUFIXSWQR-UHFFFAOYSA-N	-1	2	336.308	-1.545	20	30		EAEDLM
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1	ZINC000968952781	672432540	/nfs/dbraw/zinc/43/25/40/672432540.db2.gz	SYBFPVHHXZGWCE-OLZOCXBDSA-N	-1	2	332.408	-1.104	20	30		EAEDLM
[NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)Cc1nn[nH]n1	ZINC001176847046	787874762	/nfs/dbraw/zinc/87/47/62/787874762.db2.gz	FXYDDILFGAMZCA-MRVPVSSYSA-N	-1	2	340.302	-1.715	20	30		EAEDLM
[NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)Cc1nn[nH]n1	ZINC001176847047	787873740	/nfs/dbraw/zinc/87/37/40/787873740.db2.gz	FXYDDILFGAMZCA-QMMMGPOBSA-N	-1	2	340.302	-1.715	20	30		EAEDLM
N#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)[C@@H]2C1	ZINC001188293853	790511076	/nfs/dbraw/zinc/51/10/76/790511076.db2.gz	ZHIKGDUGGJZAHA-CMPLNLGQSA-N	-1	2	330.348	-1.032	20	30		EAEDLM
C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1	ZINC001220752638	794353212	/nfs/dbraw/zinc/35/32/12/794353212.db2.gz	IYPRHMZRIGYXBB-NEPJUHHUSA-N	-1	2	348.363	-1.605	20	30		EAEDLM
COCC#CC[N@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1	ZINC001220752980	794353725	/nfs/dbraw/zinc/35/37/25/794353725.db2.gz	XVOYKVTUUJFOTC-NEPJUHHUSA-N	-1	2	346.347	-2.158	20	30		EAEDLM
COCC#CC[N@H+]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1	ZINC001220855548	794369018	/nfs/dbraw/zinc/36/90/18/794369018.db2.gz	CXOLLZUMQAHMFM-ZJUUUORDSA-N	-1	2	325.325	-2.500	20	30		EAEDLM
C[C@H](O)C(=O)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227472460	794512761	/nfs/dbraw/zinc/51/27/61/794512761.db2.gz	CCLMAGUUOVJREQ-REOHCLBHSA-N	-1	2	339.220	-2.388	20	30		EAEDLM