smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c[n+](CC#N)c2c1n(C)c(=O)n(C)c2=O	ZINC000000383221	342685629	/nfs/dbraw/zinc/68/56/29/342685629.db2.gz	WPWBYIARTNREFR-UHFFFAOYSA-N	1	0	234.239	-1.613	50	30		BAEARO
NC(=O)NC(=O)C[n+]1cccc(C(N)=O)c1	ZINC000001836532	181255693	/nfs/dbraw/zinc/25/56/93/181255693.db2.gz	ACJYTVFQGQXDTM-UHFFFAOYSA-O	1	0	223.212	-1.732	50	30		BAEARO
NC(=O)NC(=O)C[n+]1ccc(C(N)=O)cc1	ZINC000001920134	181255614	/nfs/dbraw/zinc/25/56/14/181255614.db2.gz	SKPXSZYYGFGWLX-UHFFFAOYSA-O	1	0	223.212	-1.732	50	30		BAEARO
Cc1[nH]c(=O)[nH]c(=O)c1C=NNC1=[NH+]CCN1	ZINC000004964723	342755354	/nfs/dbraw/zinc/75/53/54/342755354.db2.gz	NQOFZNWKDBPURW-UUILKARUSA-N	1	0	236.235	-1.746	50	30		BAEARO
CNC(NCCC[C@H]([NH3+])C(=O)[O-])=[NH+]C	ZINC000005965908	384139751	/nfs/dbraw/zinc/13/97/51/384139751.db2.gz	HVPFXCBJHIIJGS-LURJTMIESA-N	1	0	202.258	-1.027	50	30	endogenous,in-man	BAEARO
NC(=[NH2+])NN=C1C=CC(=NNC(N)=[NH2+])C=C1	ZINC000006058710	181191787	/nfs/dbraw/zinc/19/17/87/181191787.db2.gz	XRDACVXCOKISDA-UHFFFAOYSA-N	1	0	220.240	-1.209	50	30		BAEARO
C#CCNC(=O)C[C@@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]1O	ZINC000015675315	166173668	/nfs/dbraw/zinc/17/36/68/166173668.db2.gz	RTWAHEHDGVCCDF-WPYKOPORSA-N	1	0	228.248	-2.426	50	30	biogenic,in-vitro	BAEARO
C#CCNS(=O)(=O)N1CC[NH2+]CC1	ZINC000020247255	342978484	/nfs/dbraw/zinc/97/84/84/342978484.db2.gz	IEVHLPKGFUHMJT-UHFFFAOYSA-N	1	0	203.267	-1.641	50	30		BAEARO
C#CCOC[C@H](O)C[NH+]1CCN(CCO)CC1	ZINC000022805066	342808458	/nfs/dbraw/zinc/80/84/58/342808458.db2.gz	JPOYETZTLHOZFX-GFCCVEGCSA-N	1	0	242.319	-1.393	50	30		BAEARO
C#CCOC[C@@H](O)C[NH+]1CCN(CCO)CC1	ZINC000022805072	384231366	/nfs/dbraw/zinc/23/13/66/384231366.db2.gz	JPOYETZTLHOZFX-LBPRGKRZSA-N	1	0	242.319	-1.393	50	30		BAEARO
CC(CN1C(=O)CCC1=O)N=NC(N)=[NH2+]	ZINC000033388439	582594707	/nfs/dbraw/zinc/59/47/07/582594707.db2.gz	CPBVFHHOBOODDQ-VZUCSPMQSA-N	1	0	211.225	-1.215	50	30		BAEARO
NC(N)=[NH+]N[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000034378137	181322420	/nfs/dbraw/zinc/32/24/20/181322420.db2.gz	KYWXFZSNXSYDQO-SQOUGZDYSA-N	1	0	206.202	-3.797	50	30		BAEARO
CN1CCO[C@H](C[NH2+]CC(=O)NCCC#N)C1	ZINC000072267942	173108324	/nfs/dbraw/zinc/10/83/24/173108324.db2.gz	NFFRQCUWIALFLT-SNVBAGLBSA-N	1	0	240.307	-1.064	50	30		BAEARO
CN1CCO[C@@H](C[NH2+]CC(=O)NCCC#N)C1	ZINC000072267943	173101523	/nfs/dbraw/zinc/10/15/23/173101523.db2.gz	NFFRQCUWIALFLT-JTQLQIEISA-N	1	0	240.307	-1.064	50	30		BAEARO
NC(=O)NC(=O)C[n+]1cccc(/C=N/O)c1	ZINC000100091399	181255633	/nfs/dbraw/zinc/25/56/33/181255633.db2.gz	NMIFSADJWWHLDV-NYYWCZLTSA-O	1	0	223.212	-1.023	50	30		BAEARO
NC(=[NH2+])NN=C[C@H](O)[C@@H](O)[C@@H](O)CO	ZINC000230138361	181322604	/nfs/dbraw/zinc/32/26/04/181322604.db2.gz	VZOXDEQSHCNUSR-TXLOLMANSA-N	1	0	206.202	-3.679	50	30		BAEARO
NC(=[NH2+])NN=C[C@H](O)[C@H](O)[C@H](O)CO	ZINC000252516703	541442737	/nfs/dbraw/zinc/44/27/37/541442737.db2.gz	VZOXDEQSHCNUSR-LMVFSUKVSA-N	1	0	206.202	-3.679	50	30		BAEARO
NC(=[NH2+])NN=C[C@H](O)[C@@H](O)[C@@H](O)CO	ZINC000252516704	363531943	/nfs/dbraw/zinc/53/19/43/363531943.db2.gz	VZOXDEQSHCNUSR-VAYJURFESA-N	1	0	206.202	-3.679	50	30		BAEARO
NC(=[NH2+])NN=C[C@H](O)[C@@H](O)[C@H](O)CO	ZINC000252516705	363532334	/nfs/dbraw/zinc/53/23/34/363532334.db2.gz	VZOXDEQSHCNUSR-VPENINKCSA-N	1	0	206.202	-3.679	50	30		BAEARO
NC(=[NH2+])NN=C[C@H](O)[C@H](O)[C@@H](O)CO	ZINC000252516706	363531536	/nfs/dbraw/zinc/53/15/36/363531536.db2.gz	VZOXDEQSHCNUSR-YUPRTTJUSA-N	1	0	206.202	-3.679	50	30		BAEARO
CNC(NCCN1CCCS1(=O)=O)=[NH+]C	ZINC000252539881	524038169	/nfs/dbraw/zinc/03/81/69/524038169.db2.gz	OPVSETWGAURNAJ-UHFFFAOYSA-N	1	0	234.325	-1.183	50	30		BAEARO
NC(=[NH2+])NN=C[C@H](O)[C@@H](O)[C@H](O)CO	ZINC000253393408	181323319	/nfs/dbraw/zinc/32/33/19/181323319.db2.gz	VZOXDEQSHCNUSR-IPSMFBJUSA-N	1	0	206.202	-3.679	50	30		BAEARO
NC(=[NH2+])NN=C[C@H](O)[C@H](O)[C@H](O)CO	ZINC000253393409	181323083	/nfs/dbraw/zinc/32/30/83/181323083.db2.gz	VZOXDEQSHCNUSR-QOCFHPKLSA-N	1	0	206.202	-3.679	50	30		BAEARO
NC(=[NH2+])NN=C[C@H](O)[C@H](O)[C@@H](O)CO	ZINC000253393410	181323278	/nfs/dbraw/zinc/32/32/78/181323278.db2.gz	VZOXDEQSHCNUSR-SUUFGTAHSA-N	1	0	206.202	-3.679	50	30		BAEARO