smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2cc(NN=C3C(C)=NCC[NH+]=C3C)ccc2[nH]1	ZINC000022036685	171350264	/nfs/dbraw/zinc/35/02/64/171350264.db2.gz	UOSSUCDWBYDXSX-QZQOTICOSA-N	1	0	282.351	3.259	1	10		CGCFRO
Cc1cc(C)c(O)c2c1C[C@H](Cc1ccccc1)[C@@H]2[NH3+]	ZINC000026156645	171473824	/nfs/dbraw/zinc/47/38/24/171473824.db2.gz	IDQRKKARIIAQGA-YOEHRIQHSA-N	1	0	267.372	3.424	1	10		CGCFRO
COc1ccc(N2CC[N+](C)(Cc3ccccc3)CC2)cc1	ZINC000066097765	524440581	/nfs/dbraw/zinc/44/05/81/524440581.db2.gz	BOKFHOYUDJYQRI-UHFFFAOYSA-N	1	0	297.422	3.162	1	10		CGCFRO
[NH3+]CC/C=C1\c2ccccc2C[C@H](O)c2ccccc21	ZINC000100051669	571801826	/nfs/dbraw/zinc/80/18/26/571801826.db2.gz	PIEVJGJKDMQGSG-KAPURRDVSA-N	1	0	265.356	3.057	1	10	endogenous,world	CGCFRO
Cc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1[NH2+]C2	ZINC000013762004	170590205	/nfs/dbraw/zinc/59/02/05/170590205.db2.gz	GYRLGNMXIAYTEM-WFASDCNBSA-N	1	0	287.384	3.018	1	10		CGCFRO
C[C@H]1C[C@H]2[NH2+]Cc3ccccc3[C@@H]2c2cc(O)c(O)cc21	ZINC000072105152	176316242	/nfs/dbraw/zinc/31/62/42/176316242.db2.gz	PRIPPFKYKFCHKC-WQFPPAFTSA-N	1	0	281.355	3.209	1	10		CGCFRO
COc1ccc(N2CC[N+]3(CCc4ccccc43)CC2)cc1	ZINC000066079389	524440423	/nfs/dbraw/zinc/44/04/23/524440423.db2.gz	RNSZFVAAYKWBKX-UHFFFAOYSA-N	1	0	295.406	3.079	1	10		CGCFRO
Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CC[NH2+]C[C@@H]21	ZINC000058581107	526355067	/nfs/dbraw/zinc/35/50/67/526355067.db2.gz	FKYWSGYMKJUZEP-ZOBUZTSGSA-N	1	0	295.382	3.131	1	10		CGCFRO
CCN1c2cc(OC)ccc2SC1=Cc1cccc[n+]1C	ZINC000002480441	169794422	/nfs/dbraw/zinc/79/44/22/169794422.db2.gz	JRRLJUPGKXVXRA-UHFFFAOYSA-N	1	0	299.419	3.450	3	10		CGCFRO
[NH3+]CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c21	ZINC000005940422	170158844	/nfs/dbraw/zinc/15/88/44/170158844.db2.gz	CAFAFONOMYEYHO-UHFFFAOYSA-N	1	0	296.330	3.057	1	10		CGCFRO
Cc1cc(C)c(O)c2c1C[C@@H](Cc1ccccc1)[C@H]2[NH3+]	ZINC000026156623	171473494	/nfs/dbraw/zinc/47/34/94/171473494.db2.gz	IDQRKKARIIAQGA-RHSMWYFYSA-N	1	0	267.372	3.424	1	10		CGCFRO
Cc1cc(C)c(O)c2c1C[C@@H](Cc1ccccc1)[C@@H]2[NH3+]	ZINC000026156638	171473557	/nfs/dbraw/zinc/47/35/57/171473557.db2.gz	IDQRKKARIIAQGA-PBHICJAKSA-N	1	0	267.372	3.424	1	10		CGCFRO
Cc1ccc2c(c1)N(C)/C(=C/c1cccc[n+]1C)S2	ZINC000000188689	169568825	/nfs/dbraw/zinc/56/88/25/169568825.db2.gz	MZPFILZBJZGYHV-UHFFFAOYSA-N	1	0	269.393	3.360	3	10		CGCFRO
COc1ccc2c(ccc(/C=C3\C=CC=CN3C)[n+]2C)c1	ZINC000002487719	277998444	/nfs/dbraw/zinc/99/84/44/277998444.db2.gz	YROMPJZEZJMSFX-UHFFFAOYSA-N	1	0	279.363	3.029	1	10		CGCFRO
[NH3+]CC/C=C1\c2ccccc2C[C@@H](O)c2ccccc21	ZINC000100051666	571801822	/nfs/dbraw/zinc/80/18/22/571801822.db2.gz	PIEVJGJKDMQGSG-SPQRHKFCSA-N	1	0	265.356	3.057	1	10	endogenous,world	CGCFRO
Oc1cc2c(cc1O)[C@H]1C[C@@H](c3ccccc3)C[NH2+][C@@H]1CC2	ZINC000095566159	185010749	/nfs/dbraw/zinc/01/07/49/185010749.db2.gz	WAQMRNIRKUUGDV-DJIMGWMZSA-N	1	0	295.382	3.273	1	10		CGCFRO
CN(C)c1ccc(/C=C\C=C\c2ccc[n+](C)c2)cc1	ZINC000039931356	174175329	/nfs/dbraw/zinc/17/53/29/174175329.db2.gz	UAGWMIZGNLEPPF-DKBJKEKUSA-N	1	0	265.380	3.304	1	10		CGCFRO
C[C@@H]1C[C@H]2[NH2+]Cc3ccccc3[C@@H]2c2cc(O)c(O)cc21	ZINC000072105318	176316516	/nfs/dbraw/zinc/31/65/16/176316516.db2.gz	PRIPPFKYKFCHKC-QEIWDELWSA-N	1	0	281.355	3.209	1	10		CGCFRO
CN1c2ccccc2SC1=Cc1cc[n+](C)cc1	ZINC000003639811	169905405	/nfs/dbraw/zinc/90/54/05/169905405.db2.gz	AZGHYNKGZARINK-UHFFFAOYSA-N	1	0	255.366	3.082	1	10		CGCFRO
CCCC[N@H+](CCC)CCc1ccc(O)c(O)c1	ZINC000005821169	170143961	/nfs/dbraw/zinc/14/39/61/170143961.db2.gz	RGTAZIDCEVLAOJ-UHFFFAOYSA-N	1	0	251.370	3.152	1	10		CGCFRO
Fc1ccc(N2C[C@H]3C[NH2+]CCc4cccc2c43)cc1	ZINC000028089311	171546994	/nfs/dbraw/zinc/54/69/94/171546994.db2.gz	JPDOPMUPXBQWBY-CYBMUJFWSA-N	1	0	268.335	3.207	1	10		CGCFRO
Cc1cc(C)c(O)c2c1C[C@H](Cc1ccccc1)[C@H]2[NH3+]	ZINC000026156630	171473731	/nfs/dbraw/zinc/47/37/31/171473731.db2.gz	IDQRKKARIIAQGA-WMLDXEAASA-N	1	0	267.372	3.424	1	10		CGCFRO