smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OC[C@H]1O[C@@H](S)[C@@H](O)[C@@H](O)[C@H]1O	4507566	571825361	/nfs/dbraw/zinc/82/53/61/571825361.db2.gz	JUSMHIGDXPKSID-URLGYRAOSA-N	0	0	196.224	-2.284	1	30		AAEFRN
CC(NN)=C1C(=O)[N-]C(=O)NC1=O	103235893	166052793	/nfs/dbraw/zinc/05/27/93/166052793.db2.gz	BJCJTMLXVPNSBY-WTDSWWLTSA-N	0	0	184.155	-1.697	1	30		AAEFRN
C=C1CCO[C@@H]2NC(=O)[C@@]1(O)NC2=O	27867135	166147290	/nfs/dbraw/zinc/14/72/90/166147290.db2.gz	IEBOPWZQECODLW-POYBYMJQSA-N	0	0	198.178	-1.776	1	30		AAEFRN
C=C1[C@@H](O)[C@H](O)C(O)[C@@H](O)[C@@H]1O	28761225	166150624	/nfs/dbraw/zinc/15/06/24/166150624.db2.gz	AIYOOBQDHHRCGH-ZXXMMSQZSA-N	0	0	176.168	-2.639	1	30		AAEFRN
C=C1[C@H](O)[C@H](O)C(O)[C@@H](O)[C@@H]1O	28761221	166151480	/nfs/dbraw/zinc/15/14/80/166151480.db2.gz	AIYOOBQDHHRCGH-QDLFHSFASA-N	0	0	176.168	-2.639	1	30		AAEFRN
C=C1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@@H]1O	28761227	166151823	/nfs/dbraw/zinc/15/18/23/166151823.db2.gz	AIYOOBQDHHRCGH-QTSLKERKSA-N	0	0	176.168	-2.639	1	30		AAEFRN
C=C1[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@@H]1O	28761223	166151978	/nfs/dbraw/zinc/15/19/78/166151978.db2.gz	AIYOOBQDHHRCGH-OKHTVQBWSA-N	0	0	176.168	-2.639	1	30		AAEFRN
C=C[C@@H]1CO[C@@H]2NC(=O)[C@H]1NC2=O	27848616	166215901	/nfs/dbraw/zinc/21/59/01/166215901.db2.gz	CYLRANFSOLYXRA-FOHZUACHSA-N	0	0	182.179	-1.241	1	30		AAEFRN
C=C[C@H]1CO[C@@H]2NC(=O)[C@H]1NC2=O	27848625	166221193	/nfs/dbraw/zinc/22/11/93/166221193.db2.gz	CYLRANFSOLYXRA-YQJDLUKNSA-N	0	0	182.179	-1.241	1	30		AAEFRN
COS(=O)(=O)CS(C)(=O)=O	5998107	168203380	/nfs/dbraw/zinc/20/33/80/168203380.db2.gz	NHTGFMDYCVWGFX-UHFFFAOYSA-N	0	0	188.226	-1.035	1	30		AAEFRN
N#CNC(=N)NCCO	5810851	169090977	/nfs/dbraw/zinc/09/09/77/169090977.db2.gz	IIXXKZSXDZZOBL-UHFFFAOYSA-N	0	0	128.135	-1.636	1	30		AAEFRN
N#C[C@@H]1CN[C@H](N)N[C@@H]1N	19319681	169108726	/nfs/dbraw/zinc/10/87/26/169108726.db2.gz	QMLSMSICNBXNLJ-WISUUJSJSA-N	0	0	141.178	-2.154	1	30		AAEFRN
NC(=O)C1=C(N)C(=O)[C@@H]2O[C@@H]2C1=O	100303627	169148094	/nfs/dbraw/zinc/14/80/94/169148094.db2.gz	MURWZWJFURVRNT-RITPCOANSA-N	0	0	182.135	-2.396	1	30	in-vitro	AAEFRN
[NH3+][C@@H](CC[P@@](=O)([O-])O)C(=O)NO	13644110	169244851	/nfs/dbraw/zinc/24/48/51/169244851.db2.gz	FHMAKACGDXCLNE-VKHMYHEASA-N	0	0	198.115	-1.613	1	30		AAEFRN
[NH3+][C@H](CC[P@@](=O)([O-])O)C(=O)NO	13644113	169265283	/nfs/dbraw/zinc/26/52/83/169265283.db2.gz	FHMAKACGDXCLNE-GSVOUGTGSA-N	0	0	198.115	-1.613	1	30		AAEFRN
O=C(NO)[C@H]1N[C@@H]1C(=O)NO	1561405	169331224	/nfs/dbraw/zinc/33/12/24/169331224.db2.gz	WQFFMXTWKARHNS-LWMBPPNESA-N	0	0	161.117	-2.662	1	30		AAEFRN
O=C1C=C[C@H](O)[C@@]2(CO)O[C@@H]12	5438474	169367512	/nfs/dbraw/zinc/36/75/12/169367512.db2.gz	GAGWCYWDAZARDD-LYFYHCNISA-N	0	0	156.137	-1.384	3	30		AAEFRN
O=C1C=C[C@H](O)[C@]2(CO)O[C@H]12	17061954	169367883	/nfs/dbraw/zinc/36/78/83/169367883.db2.gz	GAGWCYWDAZARDD-XVMARJQXSA-N	0	0	156.137	-1.384	3	30		AAEFRN
O[C@H]1[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2[C@H]1O	90614654	169455421	/nfs/dbraw/zinc/45/54/21/169455421.db2.gz	ZHMWOVGZCINIHW-NTNHSIQDSA-N	0	0	162.141	-2.789	1	30		AAEFRN
CC(O)=C([N+]#N)C(=O)NCC#N	5940912	171019053	/nfs/dbraw/zinc/01/90/53/171019053.db2.gz	DTGFTVZXEQQXNW-UHFFFAOYSA-N	0	0	166.140	-1.114	1	30		AAEFRN
CN1C(=O)C(=CNN)C(=O)N(C)C1=O	103235891	171146837	/nfs/dbraw/zinc/14/68/37/171146837.db2.gz	IUAYCLSCCVTGDY-YCRREMRBSA-N	0	0	198.182	-1.403	1	30		AAEFRN
CC(=O)ON1CN(C(C)=O)NON1	95909245	560059990	/nfs/dbraw/zinc/05/99/90/560059990.db2.gz	IOPQLDLYPZSAEX-UHFFFAOYSA-N	0	0	190.159	-1.558	1	30	biogenic,in-vitro	AAEFRN
O=C[C@@H](O)[C@@H]1OC[C@H](O)[C@@H]1O	896200	560178890	/nfs/dbraw/zinc/17/88/90/560178890.db2.gz	WZYRMLAWNVOIEX-VANKVMQKSA-N	0	0	162.141	-2.333	1	30	in-vitro	AAEFRN
O=C[C@H]1OC(=O)[C@@H](O)[C@@H](O)[C@@H]1O	4096093	560193791	/nfs/dbraw/zinc/19/37/91/560193791.db2.gz	JBQGSJDKHSBLDG-MBMOQRBOSA-N	0	0	176.124	-2.807	1	30	in-vitro	AAEFRN
[NH3+][C@H](C(=O)[O-])[C@@H](CC=O)C(=O)NO	5112856	560200547	/nfs/dbraw/zinc/20/05/47/560200547.db2.gz	MPBZRCYIZWWVPG-DMTCNVIQSA-N	0	0	190.155	-1.891	1	30	in-vitro	AAEFRN
[NH3+][C@@H](C(=O)[O-])[C@H](CC=O)C(=O)NO	5112851	560200573	/nfs/dbraw/zinc/20/05/73/560200573.db2.gz	MPBZRCYIZWWVPG-IUYQGCFVSA-N	0	0	190.155	-1.891	1	30	in-vitro	AAEFRN
[NH3+][C@H](C(=O)[O-])[C@H](CC=O)C(=O)NO	5112849	560200580	/nfs/dbraw/zinc/20/05/80/560200580.db2.gz	MPBZRCYIZWWVPG-IMJSIDKUSA-N	0	0	190.155	-1.891	1	30	in-vitro	AAEFRN
[NH3+][C@@H](C(=O)[O-])[C@@H](CC=O)C(=O)NO	5112857	560200590	/nfs/dbraw/zinc/20/05/90/560200590.db2.gz	MPBZRCYIZWWVPG-QWWZWVQMSA-N	0	0	190.155	-1.891	1	30	in-vitro	AAEFRN
[NH3+][C@H](CC[C@H](O)C=O)C(=O)[O-]	13512548	560218077	/nfs/dbraw/zinc/21/80/77/560218077.db2.gz	DAAGYSXTLYIDHZ-CRCLSJGQSA-N	0	0	161.157	-1.262	1	30	in-vitro	AAEFRN
[NH3+][C@@H](CC[C@@H](O)C=O)C(=O)[O-]	13512537	560218070	/nfs/dbraw/zinc/21/80/70/560218070.db2.gz	DAAGYSXTLYIDHZ-UHNVWZDZSA-N	0	0	161.157	-1.262	1	30	in-vitro	AAEFRN
[NH3+][C@@H](CC[C@H](O)C=O)C(=O)[O-]	13512544	560218083	/nfs/dbraw/zinc/21/80/83/560218083.db2.gz	DAAGYSXTLYIDHZ-WHFBIAKZSA-N	0	0	161.157	-1.262	1	30	in-vitro	AAEFRN
O=C[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O	14438827	560221459	/nfs/dbraw/zinc/22/14/59/560221459.db2.gz	YOWZFXGYLFJKGZ-ZXXMMSQZSA-N	0	0	178.140	-3.013	1	30	in-vitro	AAEFRN