smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)NC(=O)c1cc([O-])cs1	113234247	574047549	/nfs/dbraw/zinc/04/75/49/574047549.db2.gz	DFNGTXWEESIPJG-UHFFFAOYSA-N	-1	3	185.248	1.592	20	10		ADCDHM
CC[C@@H](C)NC(=O)c1cc([O-])cs1	113232925	574047674	/nfs/dbraw/zinc/04/76/74/574047674.db2.gz	MRSONAWWCGMITB-ZCFIWIBFSA-N	-1	3	199.275	1.982	20	10		ADCDHM
CCNC(=O)c1cc([O-])cs1	113234927	574047776	/nfs/dbraw/zinc/04/77/76/574047776.db2.gz	XZIDNDLPEDFBMK-UHFFFAOYSA-N	-1	3	171.221	1.203	20	10		ADCDHM
[O-]c1cc(O)c(O)cc1Cl	896615	560178929	/nfs/dbraw/zinc/17/89/29/560178929.db2.gz	RSJCPOVKDYSWAP-UHFFFAOYSA-N	-1	3	160.556	1.457	20	10	in-vitro	ADCDHM
Cc1ccc([O-])c([C@H]([NH3+])CC(=O)[O-])c1	2586183	571801903	/nfs/dbraw/zinc/80/19/03/571801903.db2.gz	ABIMHPOXNOAVDA-MRVPVSSYSA-N	-1	3	195.218	1.175	20	10		ADCDHM
C[C@H]([NH2+]CC(=O)[O-])c1ccccc1[O-]	36723155	572061526	/nfs/dbraw/zinc/06/15/26/572061526.db2.gz	INUWYRRXIJGXAL-ZETCQYMHSA-N	-1	3	195.218	1.127	20	10		ADCDHM
[O-]c1ccccc1CNCC(F)F	147414497	582517076	/nfs/dbraw/zinc/51/70/76/582517076.db2.gz	JLAJFRICNRRGNB-UHFFFAOYSA-N	-1	3	187.189	1.747	20	10		ADCDHM
CC(C)CNC(=O)c1cc([O-])cs1	113235972	582533315	/nfs/dbraw/zinc/53/33/15/582533315.db2.gz	JBHPLHUNHRCLNC-UHFFFAOYSA-N	-1	3	199.275	1.840	20	10		ADCDHM
CCCCNC(=O)c1cc([O-])cs1	113228649	582692502	/nfs/dbraw/zinc/69/25/02/582692502.db2.gz	XVSINPYVUWOVEQ-UHFFFAOYSA-N	-1	3	199.275	1.984	20	10		ADCDHM
COC1CN(Cc2ccccc2[O-])C1	839128680	582726652	/nfs/dbraw/zinc/72/66/52/582726652.db2.gz	RXNBYOBSQYBQSG-UHFFFAOYSA-N	-1	3	193.246	1.223	20	10		ADCDHM
Cc1ccc(C(=O)N(C)C)c([O-])c1O	751532919	582764181	/nfs/dbraw/zinc/76/41/81/582764181.db2.gz	KKPLCYGMSBDPSQ-UHFFFAOYSA-N	-1	3	195.218	1.108	20	10		ADCDHM
CC(C)(C)NC(=O)c1cc([O-])cs1	113234166	583245917	/nfs/dbraw/zinc/24/59/17/583245917.db2.gz	FICXHQNLGVRNMA-UHFFFAOYSA-N	-1	3	199.275	1.982	20	10		ADCDHM
CC[C@H](C)NC(=O)c1cc([O-])cs1	113232927	583246300	/nfs/dbraw/zinc/24/63/00/583246300.db2.gz	MRSONAWWCGMITB-LURJTMIESA-N	-1	3	199.275	1.982	20	10		ADCDHM
CC(=O)CN(C)Cc1ccccc1[O-]	878242794	583407511	/nfs/dbraw/zinc/40/75/11/583407511.db2.gz	VULONLPNQAPTPZ-UHFFFAOYSA-N	-1	3	193.246	1.413	20	10		ADCDHM
C[C@@H]1CCN1C(=O)c1cc([O-])cs1	881480527	583443940	/nfs/dbraw/zinc/44/39/40/583443940.db2.gz	WGAODJPXBKIIHT-ZCFIWIBFSA-N	-1	3	197.259	1.688	20	10		ADCDHM
C[C@H]1CCN1C(=O)c1cc([O-])cs1	881480526	583444318	/nfs/dbraw/zinc/44/43/18/583444318.db2.gz	WGAODJPXBKIIHT-LURJTMIESA-N	-1	3	197.259	1.688	20	10		ADCDHM
CCCNC(=O)c1cccc(O)c1[O-]	163266395	697668925	/nfs/dbraw/zinc/66/89/25/697668925.db2.gz	VGUJIIOTDDVYRZ-UHFFFAOYSA-N	-1	3	195.218	1.238	20	10		ADCDHM
C[C@@H]([NH2+]CC(=O)[O-])c1ccccc1[O-]	36723157	168378644	/nfs/dbraw/zinc/37/86/44/168378644.db2.gz	INUWYRRXIJGXAL-SSDOTTSWSA-N	-1	3	195.218	1.127	20	10		ADCDHM
[NH3+][C@H](CC(=O)[O-])c1cc(F)ccc1[O-]	2586176	169264071	/nfs/dbraw/zinc/26/40/71/169264071.db2.gz	LLPUMUAWJFTJCA-SSDOTTSWSA-N	-1	3	199.181	1.006	20	10		ADCDHM
CC(C)OC(=O)c1ccc([O-])c(O)c1	95590818	343684451	/nfs/dbraw/zinc/68/44/51/343684451.db2.gz	LGFUKKJQWVKLJZ-UHFFFAOYSA-N	-1	3	196.202	1.663	20	10	in-vitro	ADCDHM
CC(C)NC(=O)c1cccc(O)c1[O-]	159727184	344151342	/nfs/dbraw/zinc/15/13/42/344151342.db2.gz	REUCDYTVOWMAEC-UHFFFAOYSA-N	-1	3	195.218	1.236	20	10		ADCDHM
CC1(NC(=O)c2cc([O-])cs2)CC1	306220449	345113042	/nfs/dbraw/zinc/11/30/42/345113042.db2.gz	OKFDERFRPPTIRP-UHFFFAOYSA-N	-1	3	197.259	1.736	20	10		ADCDHM
CN(C)C(=O)c1cc([O-])cs1	306467648	345328551	/nfs/dbraw/zinc/32/85/51/345328551.db2.gz	RCHLBQQJESSKFH-UHFFFAOYSA-N	-1	3	171.221	1.156	20	10		ADCDHM
O=C(c1cc([O-])cs1)N1CCC1	306882506	345679045	/nfs/dbraw/zinc/67/90/45/345679045.db2.gz	NNZCSVPCZFCYQD-UHFFFAOYSA-N	-1	3	183.232	1.300	20	10		ADCDHM
O=C(NC1CC1)c1cc([O-])cs1	306932107	345705332	/nfs/dbraw/zinc/70/53/32/345705332.db2.gz	CKUIOMWLXFCSDG-UHFFFAOYSA-N	-1	3	183.232	1.346	20	10		ADCDHM
CCN(C)C(=O)c1cc([O-])cs1	307171790	345864158	/nfs/dbraw/zinc/86/41/58/345864158.db2.gz	BLAWPNUZLCPDGI-UHFFFAOYSA-N	-1	3	185.248	1.546	20	10		ADCDHM
O=C(c1cc([O-])cs1)N1CCCC1	307582006	346127359	/nfs/dbraw/zinc/12/73/59/346127359.db2.gz	TUWVEMKRPWDPPU-UHFFFAOYSA-N	-1	3	197.259	1.690	20	10		ADCDHM
O=C(NC1CCC1)c1cc([O-])cs1	307726955	346205684	/nfs/dbraw/zinc/20/56/84/346205684.db2.gz	CSHINJDGXUPDEZ-UHFFFAOYSA-N	-1	3	197.259	1.736	20	10		ADCDHM
COc1cccc([O-])c1CNCCF	308729627	573794292	/nfs/dbraw/zinc/79/42/92/573794292.db2.gz	IRWAVEASSIPVNI-UHFFFAOYSA-N	-1	3	199.225	1.460	20	10		ADCDHM
CCN(C)C(=O)c1cccc(O)c1[O-]	163269320	630249067	/nfs/dbraw/zinc/24/90/67/630249067.db2.gz	GVKFEFNECBNCKM-UHFFFAOYSA-N	-1	3	195.218	1.190	20	10		ADCDHM