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[N@@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@H](C)O	ZINC000036207749	518801519	/nfs/dbraw/zinc/80/15/19/518801519.db2.gz	ZJMPGCDNLKYDBS-ZDUSSCGKSA-N	1	2	415.515	3.038	10	30		HGEELO
C=CC[N@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@H](C)O	ZINC000036207749	518801524	/nfs/dbraw/zinc/80/15/24/518801524.db2.gz	ZJMPGCDNLKYDBS-ZDUSSCGKSA-N	1	2	415.515	3.038	10	30		HGEELO
COCCCn1nccc1[C@H]1OCC[C@@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1	ZINC000328603354	569416944	/nfs/dbraw/zinc/41/69/44/569416944.db2.gz	FVHIIBRZDQKGDE-UNMCSNQZSA-N	1	2	423.517	3.399	10	30		HGEELO
N#Cc1cccc(C(=O)N2CCC[N@@H+](Cc3nc(-c4cccc(F)c4)no3)CC2)c1	ZINC000065172360	569189708	/nfs/dbraw/zinc/18/97/08/569189708.db2.gz	XEBYDEOXEPHEEY-UHFFFAOYSA-N	1	2	405.433	3.095	10	30		HGEELO
N#Cc1cccc(C(=O)N2CCC[N@H+](Cc3nc(-c4cccc(F)c4)no3)CC2)c1	ZINC000065172360	569189709	/nfs/dbraw/zinc/18/97/09/569189709.db2.gz	XEBYDEOXEPHEEY-UHFFFAOYSA-N	1	2	405.433	3.095	10	30		HGEELO
CS(=O)(=O)OC[C@@H]1COc2ccc[nH+]c2N1Cc1cc(Cl)ccc1Cl	ZINC000584904592	560739764	/nfs/dbraw/zinc/73/97/64/560739764.db2.gz	KQBAHHXDSASGJG-ZDUSSCGKSA-N	1	2	403.287	3.132	10	30		HGEELO
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[NH+]=Cc1ccc(N(C)C)cc1	ZINC000033380571	520784587	/nfs/dbraw/zinc/78/45/87/520784587.db2.gz	CNTUGGQQYWFDAI-ZHZULCJRSA-N	1	2	419.507	3.137	10	30		HGEELO
Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)c(C#N)c1C	ZINC000328605412	569418042	/nfs/dbraw/zinc/41/80/42/569418042.db2.gz	NIBSOWIFZHDTBW-CQSZACIVSA-N	1	2	414.535	3.129	10	30		HGEELO
Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)c(C#N)c1C	ZINC000328605412	569418044	/nfs/dbraw/zinc/41/80/44/569418044.db2.gz	NIBSOWIFZHDTBW-CQSZACIVSA-N	1	2	414.535	3.129	10	30		HGEELO
COCC[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1n[nH]c3ccccc31)C2	ZINC000097088630	568713979	/nfs/dbraw/zinc/71/39/79/568713979.db2.gz	PVCMYQISFZAYFO-QHCPKHFHSA-N	1	2	418.501	3.120	10	30		HGEELO
CCN(CC)c1ccc(C=[NH+]Nc2nnc(SCC(=O)NC(C)(C)C)[nH]2)cc1	ZINC000005927779	557681083	/nfs/dbraw/zinc/68/10/83/557681083.db2.gz	MUBDEZMXOLMNMC-UDWIEESQSA-N	1	2	403.556	3.104	10	30		HGEELO
COCCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2c[nH+]c(C)n2-c2ccccc2)cn1	ZINC000328608298	569419386	/nfs/dbraw/zinc/41/93/86/569419386.db2.gz	YOQGRSCYKUGNQH-LEWJYISDSA-N	1	2	409.490	3.258	10	30		HGEELO
COc1ccc(C(=O)N2CC[C@]3(C2)[NH2+]Cc2ccccc2NC3=NC(C)(C)C)cn1	ZINC000065265981	569213141	/nfs/dbraw/zinc/21/31/41/569213141.db2.gz	LWJRPXWWKUBNFL-HSZRJFAPSA-N	1	2	407.518	3.087	10	30		HGEELO
COc1ccc(C(=O)N2CC[C@@]3(C2)[NH2+]Cc2ccccc2NC3=NC(C)(C)C)cn1	ZINC000065265982	569213122	/nfs/dbraw/zinc/21/31/22/569213122.db2.gz	LWJRPXWWKUBNFL-QHCPKHFHSA-N	1	2	407.518	3.087	10	30		HGEELO
C=CC[N@@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@@H](C)O	ZINC000036207750	518800337	/nfs/dbraw/zinc/80/03/37/518800337.db2.gz	ZJMPGCDNLKYDBS-CYBMUJFWSA-N	1	2	415.515	3.038	10	30		HGEELO
C=CC[N@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@@H](C)O	ZINC000036207750	518800342	/nfs/dbraw/zinc/80/03/42/518800342.db2.gz	ZJMPGCDNLKYDBS-CYBMUJFWSA-N	1	2	415.515	3.038	10	30		HGEELO
COCC[NH+]=C1Nc2ccccc2N[C@@]12CCCN(C(=O)c1n[nH]c3ccccc31)C2	ZINC000097088627	568714035	/nfs/dbraw/zinc/71/40/35/568714035.db2.gz	PVCMYQISFZAYFO-HSZRJFAPSA-N	1	2	418.501	3.120	10	30		HGEELO
Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)c(C#N)c1C	ZINC000328605411	569417990	/nfs/dbraw/zinc/41/79/90/569417990.db2.gz	NIBSOWIFZHDTBW-AWEZNQCLSA-N	1	2	414.535	3.129	10	30		HGEELO
Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)c(C#N)c1C	ZINC000328605411	569417991	/nfs/dbraw/zinc/41/79/91/569417991.db2.gz	NIBSOWIFZHDTBW-AWEZNQCLSA-N	1	2	414.535	3.129	10	30		HGEELO
CS(=O)(=O)OC[C@H]1COc2ccc[nH+]c2N1Cc1cc(Cl)ccc1Cl	ZINC000584904591	560739756	/nfs/dbraw/zinc/73/97/56/560739756.db2.gz	KQBAHHXDSASGJG-CYBMUJFWSA-N	1	2	403.287	3.132	10	30		HGEELO