smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2c(cc([O-])c3ccsc32)s1	ZINC000000045231	180070096	/nfs/dbraw/zinc/07/00/96/180070096.db2.gz	CKCVIZASFQSRBN-UHFFFAOYSA-N	-1	3	221.306	3.525	50	0		BHAAHM
Cc1ccc2c(cc3[n-]c4ccccc4nc2-3)c1	ZINC000000051419	344100329	/nfs/dbraw/zinc/10/03/29/344100329.db2.gz	QRXUDQZDUGFKRO-UHFFFAOYSA-N	-1	3	232.286	3.509	50	0		BHAAHM
CC(C)(C)c1cc(C=O)cc(C(C)(C)C)c1[O-]	ZINC000000056443	342671849	/nfs/dbraw/zinc/67/18/49/342671849.db2.gz	DOZRDZLFLOODMB-UHFFFAOYSA-N	-1	3	234.339	3.800	50	0		BHAAHM
S=c1[n-]c2ccccc2c2c1CCCC2	ZINC000000085101	183313261	/nfs/dbraw/zinc/31/32/61/183313261.db2.gz	RXJDRVLQPSRRCI-UHFFFAOYSA-N	-1	3	215.321	3.776	50	0		BHAAHM
[O-]c1ccc(-c2ccccc2)cc1Br	ZINC000000120460	183264054	/nfs/dbraw/zinc/26/40/54/183264054.db2.gz	DZGMMVYPLBTLRQ-UHFFFAOYSA-N	-1	3	249.107	3.822	50	0		BHAAHM
S=c1nc(-c2ccccc2)c2ccccc2[n-]1	ZINC000000154863	183315208	/nfs/dbraw/zinc/31/52/08/183315208.db2.gz	LRTJXDQEJMZJIM-UHFFFAOYSA-N	-1	3	238.315	3.959	50	0		BHAAHM
S=c1[n-]c2ccccc2nc1-c1ccccc1	ZINC000000155581	183313201	/nfs/dbraw/zinc/31/32/01/183313201.db2.gz	RZDZNIAZFJPDQC-UHFFFAOYSA-N	-1	3	238.315	3.959	50	0		BHAAHM
CC(C)(C)CC(=O)c1cc(Cl)ccc1[O-]	ZINC000000158041	344577454	/nfs/dbraw/zinc/57/74/54/344577454.db2.gz	VILSZYMNLYDQBB-UHFFFAOYSA-N	-1	3	226.703	3.665	50	0		BHAAHM
[O-]c1ccccc1-c1nc2ccccc2s1	ZINC000000235985	183300166	/nfs/dbraw/zinc/30/01/66/183300166.db2.gz	MVVGSPCXHRFDDR-UHFFFAOYSA-N	-1	3	227.288	3.669	50	0		BHAAHM
O=C1CC[C@H](c2ccccc2)c2ccc([O-])cc21	ZINC000000303114	342682851	/nfs/dbraw/zinc/68/28/51/342682851.db2.gz	IHHCACIVDBWLHA-CYBMUJFWSA-N	-1	3	238.286	3.501	50	0		BHAAHM
O=C1CC[C@@H](c2ccccc2)c2ccc([O-])cc21	ZINC000000303116	342682875	/nfs/dbraw/zinc/68/28/75/342682875.db2.gz	IHHCACIVDBWLHA-ZDUSSCGKSA-N	-1	3	238.286	3.501	50	0		BHAAHM
CC(=O)c1c(C)oc2c1cc([O-])c1ccccc21	ZINC000000349780	383856997	/nfs/dbraw/zinc/85/69/97/383856997.db2.gz	PLXKLMGCHCVFMF-UHFFFAOYSA-N	-1	3	240.258	3.803	50	0		BHAAHM
[O-]c1ccc(Cl)cc1C1SCCCS1	ZINC000000367494	183273081	/nfs/dbraw/zinc/27/30/81/183273081.db2.gz	QMAKUFFCZCFCKM-UHFFFAOYSA-N	-1	3	246.784	3.914	50	0		BHAAHM
[O-]c1ccc(Cl)cc1-c1nc2ccccc2[nH]1	ZINC000000389936	183274056	/nfs/dbraw/zinc/27/40/56/183274056.db2.gz	PBENZIMZQAFNCZ-UHFFFAOYSA-N	-1	3	244.681	3.589	50	0		BHAAHM
Cc1c(C)c(Cl)c(C)c(Cl)c1[O-]	ZINC000000393623	342686070	/nfs/dbraw/zinc/68/60/70/342686070.db2.gz	YYJLTJNUMBZDQC-UHFFFAOYSA-N	-1	3	205.084	3.624	50	0		BHAAHM
C=C=Cc1cccc(-c2ccccc2O)c1[O-]	ZINC000000399636	188099256	/nfs/dbraw/zinc/09/92/56/188099256.db2.gz	ZBTSQAOAZBNLCM-UHFFFAOYSA-N	-1	3	224.259	3.563	50	0		BHAAHM
O=C(CCC1CCCCC1)Nc1ccccc1[O-]	ZINC000000461058	181907795	/nfs/dbraw/zinc/90/77/95/181907795.db2.gz	NVDIJOQHQUSMNN-UHFFFAOYSA-N	-1	3	247.338	3.691	50	0		BHAAHM
S=C1[N-]c2ccccc2[C@H]1C1CCCC1	ZINC000000480350	183314014	/nfs/dbraw/zinc/31/40/14/183314014.db2.gz	UGTGFCFXKDSUOH-GFCCVEGCSA-N	-1	3	217.337	3.713	50	0		BHAAHM
S=C1[N-]c2ccccc2C1=C1CCCC1	ZINC000000480351	346656164	/nfs/dbraw/zinc/65/61/64/346656164.db2.gz	VJKYVFHWMNSNEF-UHFFFAOYSA-N	-1	3	215.321	3.767	50	0		BHAAHM
CC(=O)CCc1c(C)c2ccccc2[n-]c1=S	ZINC000000827978	322810016	/nfs/dbraw/zinc/81/00/16/322810016.db2.gz	HLLLPSZXWZKWHW-UHFFFAOYSA-N	-1	3	245.347	3.727	50	0		BHAAHM
COc1cc([O-])cc(/C=C/c2ccccc2)c1	ZINC000000899172	175005626	/nfs/dbraw/zinc/00/56/26/175005626.db2.gz	JVIXPWIEOVZVJC-BQYQJAHWSA-N	-1	3	226.275	3.571	50	0	biogenic,in-vitro	BHAAHM
COc1c2sc3ccccc3c2ccc1[O-]	ZINC000000984466	350969760	/nfs/dbraw/zinc/96/97/60/350969760.db2.gz	NYYYQGIKFLYLHD-UHFFFAOYSA-N	-1	3	230.288	3.769	50	0		BHAAHM
[O-]c1ccc(Br)cc1-c1ccccc1	ZINC000001621374	183267565	/nfs/dbraw/zinc/26/75/65/183267565.db2.gz	AWIYHSVPCXSVRF-UHFFFAOYSA-N	-1	3	249.107	3.822	50	0		BHAAHM
COc1cccc(/C=C/c2ccc([O-])cc2)c1	ZINC000001650059	175240680	/nfs/dbraw/zinc/24/06/80/175240680.db2.gz	ZVJLZUWCAUTTBS-AATRIKPKSA-N	-1	3	226.275	3.571	50	0		BHAAHM
CCCC(=O)c1ccc2ccccc2c1[O-]	ZINC000001661220	346461993	/nfs/dbraw/zinc/46/19/93/346461993.db2.gz	ANGWXPBWGYBJER-UHFFFAOYSA-N	-1	3	214.264	3.528	50	0		BHAAHM
CCCCCOCc1ccc([O-])c2ncccc12	ZINC000001835644	358957487	/nfs/dbraw/zinc/95/74/87/358957487.db2.gz	PLDIRFJFZHYJRX-UHFFFAOYSA-N	-1	3	245.322	3.647	50	0		BHAAHM
CCCC[C@@H](CC)C(=O)Nc1ccccc1[O-]	ZINC000002061843	342715560	/nfs/dbraw/zinc/71/55/60/342715560.db2.gz	JABYPRDEKBFQLQ-LLVKDONJSA-N	-1	3	235.327	3.547	50	0		BHAAHM
CCCC[C@H](CC)C(=O)Nc1ccccc1[O-]	ZINC000002061844	342715600	/nfs/dbraw/zinc/71/56/00/342715600.db2.gz	JABYPRDEKBFQLQ-NSHDSACASA-N	-1	3	235.327	3.547	50	0		BHAAHM
[O-]c1cccc2c3ccccc3sc21	ZINC000002173221	183297726	/nfs/dbraw/zinc/29/77/26/183297726.db2.gz	SUBWJLQUFMWZRI-UHFFFAOYSA-N	-1	3	200.262	3.760	50	0		BHAAHM
Cc1ccc(-c2nc3ccccc3s2)c([O-])c1	ZINC000002584539	178337156	/nfs/dbraw/zinc/33/71/56/178337156.db2.gz	DILRSGGQTSJRST-UHFFFAOYSA-N	-1	3	241.315	3.977	50	0		BHAAHM
O=C1c2ccccc2-c2ccc([O-])c3cccc1c32	ZINC000003894728	388388459	/nfs/dbraw/zinc/38/84/59/388388459.db2.gz	NWMOJFNQYCKHBL-UHFFFAOYSA-N	-1	3	246.265	3.757	50	0		BHAAHM
CCCCCCC(=O)c1ccc([O-])c(C)c1O	ZINC000004529801	342748865	/nfs/dbraw/zinc/74/88/65/342748865.db2.gz	GZUJQZCQIPJSKY-UHFFFAOYSA-N	-1	3	236.311	3.559	50	0		BHAAHM
Cc1ccc2oc(-c3ccccc3[O-])nc2c1	ZINC000005547815	360493152	/nfs/dbraw/zinc/49/31/52/360493152.db2.gz	FZQGBQAOJPVIOS-UHFFFAOYSA-N	-1	3	225.247	3.509	50	0		BHAAHM
CC1=Nc2ccccc2[N-]C(C(F)(F)F)=C1	ZINC000005686198	168137440	/nfs/dbraw/zinc/13/74/40/168137440.db2.gz	YCVIYILURDZGEJ-UHFFFAOYSA-N	-1	3	226.201	3.651	50	0		BHAAHM
COc1cccc2c3cccc([O-])c3sc21	ZINC000005918775	351309441	/nfs/dbraw/zinc/30/94/41/351309441.db2.gz	TXKZDMTUYWKZKI-UHFFFAOYSA-N	-1	3	230.288	3.769	50	0		BHAAHM
COc1ccc(/C=C/c2ccc([O-])cc2)cc1	ZINC000006018159	342772868	/nfs/dbraw/zinc/77/28/68/342772868.db2.gz	KKYPOVJDPNCJMJ-NSCUHMNNSA-N	-1	3	226.275	3.571	50	0		BHAAHM
S=c1[n-]c(-c2ccccc2)nc2ccccc21	ZINC000006534191	183315305	/nfs/dbraw/zinc/31/53/05/183315305.db2.gz	GJELWRJKAIJFJN-UHFFFAOYSA-N	-1	3	238.315	3.959	50	0		BHAAHM
[O-]c1cccc2ccc(/C=C/c3cccnc3)nc12	ZINC000007586322	183298160	/nfs/dbraw/zinc/29/81/60/183298160.db2.gz	RUNYOGONRILDOQ-SOFGYWHQSA-N	-1	3	248.285	3.506	50	0		BHAAHM
O=C1[N-]C(=O)C(=Cc2ccc(Cl)cc2)S1	ZINC000009087136	342807928	/nfs/dbraw/zinc/80/79/28/342807928.db2.gz	OTTGINRZTJUWBT-YVMONPNESA-N	-1	3	239.683	3.504	50	0		BHAAHM
S=c1[n-]cc(-c2ccc(Cl)cc2)o1	ZINC000009738381	183313541	/nfs/dbraw/zinc/31/35/41/183313541.db2.gz	WRHYNFLKUOROFK-UHFFFAOYSA-N	-1	3	211.673	3.658	50	0		BHAAHM
Cc1cc(C)c2[n-]c(=S)cc(C)c2c1	ZINC000011731197	342842747	/nfs/dbraw/zinc/84/27/47/342842747.db2.gz	GZLWESBHRVYTQR-UHFFFAOYSA-N	-1	3	203.310	3.823	50	0		BHAAHM
Cc1c(C(=O)[O-])oc2cc(C)c(Cl)c(C)c12	ZINC000011920441	178306674	/nfs/dbraw/zinc/30/66/74/178306674.db2.gz	YLGMXZDTDSQUKG-UHFFFAOYSA-N	-1	3	238.670	3.710	50	0		BHAAHM
CCC(C)(C)c1ccc([O-])c(Br)c1	ZINC000011949668	168306155	/nfs/dbraw/zinc/30/61/55/168306155.db2.gz	LTEAOSLAFBPTDU-UHFFFAOYSA-N	-1	3	243.144	3.842	50	0		BHAAHM
CC[C@@H](C)c1ccc([O-])c(Br)c1	ZINC000012403773	170804073	/nfs/dbraw/zinc/80/40/73/170804073.db2.gz	ZAINGYFRUOVIGY-SSDOTTSWSA-N	-1	3	229.117	3.668	50	0		BHAAHM
CC[C@H](C)c1ccc([O-])c(Br)c1	ZINC000012403774	384318250	/nfs/dbraw/zinc/31/82/50/384318250.db2.gz	ZAINGYFRUOVIGY-ZETCQYMHSA-N	-1	3	229.117	3.668	50	0		BHAAHM
[O-]c1ccccc1-c1cc(-c2ccccc2)no1	ZINC000013130481	183298257	/nfs/dbraw/zinc/29/82/57/183298257.db2.gz	XWLIMTFPYMGWEB-UHFFFAOYSA-N	-1	3	237.258	3.714	50	0	aggregator	BHAAHM
Cc1ccc(-c2c[n-]c(=S)o2)cc1C	ZINC000013363313	178317716	/nfs/dbraw/zinc/31/77/16/178317716.db2.gz	NLSXSEOQYSNHFF-UHFFFAOYSA-N	-1	3	205.282	3.621	50	0		BHAAHM
S=c1[n-]cc(-c2cccc(Cl)c2)o1	ZINC000013363325	183313329	/nfs/dbraw/zinc/31/33/29/183313329.db2.gz	DYPSTOZOKMXPCE-UHFFFAOYSA-N	-1	3	211.673	3.658	50	0		BHAAHM
CC(C)c1cc(C(=O)c2ccccc2)ccc1[O-]	ZINC000013858774	589185016	/nfs/dbraw/zinc/18/50/16/589185016.db2.gz	HFUYEJGTOBMYQY-UHFFFAOYSA-N	-1	3	240.302	3.747	50	0		BHAAHM
Cc1cc(=S)[n-]c2cc(Cl)ccc12	ZINC000017158412	344403547	/nfs/dbraw/zinc/40/35/47/344403547.db2.gz	LSEISBSNELHXAE-UHFFFAOYSA-N	-1	3	209.701	3.859	50	0		BHAAHM
[O-]c1ccccc1-c1ccc2ccccc2n1	ZINC000019801958	183298754	/nfs/dbraw/zinc/29/87/54/183298754.db2.gz	JUMVYDGWHJBSIT-UHFFFAOYSA-N	-1	3	221.259	3.607	50	0		BHAAHM
O=C1c2ccccc2-c2cccc3ccc([O-])c1c32	ZINC000022636338	384768012	/nfs/dbraw/zinc/76/80/12/384768012.db2.gz	HXSGRLRVAORXJV-UHFFFAOYSA-N	-1	3	246.265	3.757	50	0		BHAAHM
Cc1ccc(-c2noc3cc([O-])ccc32)cc1	ZINC000032501410	178345103	/nfs/dbraw/zinc/34/51/03/178345103.db2.gz	AZZHXXUMTJTBSW-UHFFFAOYSA-N	-1	3	225.247	3.509	50	0		BHAAHM
Cc1ccc(NC(=O)CC2CCCCC2)c([O-])c1	ZINC000033028978	343610570	/nfs/dbraw/zinc/61/05/70/343610570.db2.gz	KVQNQYIBBIAXBA-UHFFFAOYSA-N	-1	3	247.338	3.610	50	0		BHAAHM
CC(C)(C)c1cc(Cl)cc(Cl)c1[O-]	ZINC000039208718	188216195	/nfs/dbraw/zinc/21/61/95/188216195.db2.gz	SYZQFPNVWMIJTO-UHFFFAOYSA-N	-1	3	219.111	3.997	50	0		BHAAHM
[O-]c1ccccc1Oc1ccccc1Cl	ZINC000039437762	183304255	/nfs/dbraw/zinc/30/42/55/183304255.db2.gz	PLXMSFGJWZAQTH-UHFFFAOYSA-N	-1	3	220.655	3.838	50	0		BHAAHM
CC(C)c1ccc(-c2ccc(=S)[n-]n2)cc1	ZINC000041256495	343417808	/nfs/dbraw/zinc/41/78/08/343417808.db2.gz	IYFLQOOTLZQNMF-UHFFFAOYSA-N	-1	3	230.336	3.930	50	0		BHAAHM
CCCCN(CCCC)c1ccc(C=O)c([O-])c1	ZINC000044069270	384313787	/nfs/dbraw/zinc/31/37/87/384313787.db2.gz	BWHGDPKOFVNGFQ-UHFFFAOYSA-N	-1	3	249.354	3.611	50	0		BHAAHM
[O-]c1cccc(/C=C/c2nc3ccccc3o2)c1	ZINC000057457344	183288224	/nfs/dbraw/zinc/28/82/24/183288224.db2.gz	PKSFKLLNUWOJIU-CMDGGOBGSA-N	-1	3	237.258	3.704	50	0		BHAAHM
S=c1[n-]c(-c2ccsc2)nc2ccccc21	ZINC000058133848	188179458	/nfs/dbraw/zinc/17/94/58/188179458.db2.gz	HIMAGTDOKWHTER-UHFFFAOYSA-N	-1	3	244.344	3.647	50	0		BHAAHM
Cc1cc(C)c(-c2ccc(=S)[n-]n2)cc1C	ZINC000061966050	385009804	/nfs/dbraw/zinc/00/98/04/385009804.db2.gz	XLOICLIMOIQQEA-UHFFFAOYSA-N	-1	3	230.336	3.731	50	0		BHAAHM
S=c1ccc(-c2ccc3ccccc3c2)n[n-]1	ZINC000061966053	188184149	/nfs/dbraw/zinc/18/41/49/188184149.db2.gz	DXYMSEYOCVHYCR-UHFFFAOYSA-N	-1	3	238.315	3.586	50	0		BHAAHM
[O-]c1cccnc1-c1cc2ccccc2s1	ZINC000065339297	188129289	/nfs/dbraw/zinc/12/92/89/188129289.db2.gz	VNDYHYKUILJHAZ-UHFFFAOYSA-N	-1	3	227.288	3.669	50	0		BHAAHM
Cc1ccccc1-c1ccc([O-])c(F)c1	ZINC000065340684	179235263	/nfs/dbraw/zinc/23/52/63/179235263.db2.gz	FMQXMSBGLWNNOU-UHFFFAOYSA-N	-1	3	202.228	3.507	50	0		BHAAHM
Cc1ccc(-c2ccc([O-])c(F)c2)cc1	ZINC000065340692	178325123	/nfs/dbraw/zinc/32/51/23/178325123.db2.gz	UPSSODOHCOKLOB-UHFFFAOYSA-N	-1	3	202.228	3.507	50	0		BHAAHM
Cc1ccc(-c2ccc([O-])c(F)c2)c(C)c1	ZINC000065340734	178325220	/nfs/dbraw/zinc/32/52/20/178325220.db2.gz	GQADMQWSFXKFMI-UHFFFAOYSA-N	-1	3	216.255	3.815	50	0		BHAAHM
[O-]c1ccc(-c2ccccc2Cl)cc1F	ZINC000065340811	183264891	/nfs/dbraw/zinc/26/48/91/183264891.db2.gz	NIKMRCJNZXNREL-UHFFFAOYSA-N	-1	3	222.646	3.852	50	0		BHAAHM
[O-]c1ccc(-c2ccc(Cl)cc2)cc1F	ZINC000065340817	183264029	/nfs/dbraw/zinc/26/40/29/183264029.db2.gz	CEEPKACGNYODSN-UHFFFAOYSA-N	-1	3	222.646	3.852	50	0		BHAAHM
CCOc1ccc(-c2ccc([O-])cc2F)c(C)c1	ZINC000065340997	385300270	/nfs/dbraw/zinc/30/02/70/385300270.db2.gz	IHEWVZZGMJNCIQ-UHFFFAOYSA-N	-1	3	246.281	3.905	50	0		BHAAHM
CSc1ccc(-c2ccc(C=O)c([O-])c2)cc1	ZINC000065341909	385300930	/nfs/dbraw/zinc/30/09/30/385300930.db2.gz	UOFAWYROSONALA-UHFFFAOYSA-N	-1	3	244.315	3.594	50	0		BHAAHM
[O-]c1cc(Cl)cc(-c2ccccc2F)c1	ZINC000065343058	183258272	/nfs/dbraw/zinc/25/82/72/183258272.db2.gz	VDHDZHOOPKAUOP-UHFFFAOYSA-N	-1	3	222.646	3.852	50	0		BHAAHM
[O-]c1cc(Cl)cc(-c2ccc(F)cc2)c1	ZINC000065343062	183258714	/nfs/dbraw/zinc/25/87/14/183258714.db2.gz	LEKGDXUDFWBDMU-UHFFFAOYSA-N	-1	3	222.646	3.852	50	0		BHAAHM
[O-]c1cc(Cl)cc(-c2ccc(F)cc2F)c1	ZINC000065343202	183258978	/nfs/dbraw/zinc/25/89/78/183258978.db2.gz	ZHRZAGROKDMNIZ-UHFFFAOYSA-N	-1	3	240.636	3.991	50	0		BHAAHM
[O-]c1cc(Cl)cc(-c2ccc(F)c(F)c2)c1	ZINC000065343205	183258036	/nfs/dbraw/zinc/25/80/36/183258036.db2.gz	DZHBVEZYMKHQMH-UHFFFAOYSA-N	-1	3	240.636	3.991	50	0		BHAAHM
[O-]c1cc(Cl)cc(-c2cc(F)cc(F)c2)c1	ZINC000065343208	183257946	/nfs/dbraw/zinc/25/79/46/183257946.db2.gz	CFKDORYNCXEPIK-UHFFFAOYSA-N	-1	3	240.636	3.991	50	0		BHAAHM
[O-]c1cc(Cl)cc(-c2cccc(F)c2F)c1	ZINC000065343212	183259222	/nfs/dbraw/zinc/25/92/22/183259222.db2.gz	UHIYLWJCTQOCBG-UHFFFAOYSA-N	-1	3	240.636	3.991	50	0		BHAAHM
[O-]c1cc(Cl)cc(-c2c(F)cccc2F)c1	ZINC000065343219	183258909	/nfs/dbraw/zinc/25/89/09/183258909.db2.gz	JYQYIKOIUNHYEV-UHFFFAOYSA-N	-1	3	240.636	3.991	50	0		BHAAHM
[O-]c1cc(Cl)cc(-c2cc(F)ccc2F)c1	ZINC000065343222	183257920	/nfs/dbraw/zinc/25/79/20/183257920.db2.gz	NXRGYGJARPGKJA-UHFFFAOYSA-N	-1	3	240.636	3.991	50	0		BHAAHM
[O-]c1ccc(-c2cc3ccccc3s2)nc1	ZINC000065355896	183264428	/nfs/dbraw/zinc/26/44/28/183264428.db2.gz	RTRDZUIOYHWHQF-UHFFFAOYSA-N	-1	3	227.288	3.669	50	0		BHAAHM
[O-]c1cc(F)ccc1-c1cnc2ccccc2c1	ZINC000065494577	191001624	/nfs/dbraw/zinc/00/16/24/191001624.db2.gz	GDKVEICZPBWVIH-UHFFFAOYSA-N	-1	3	239.249	3.747	50	0		BHAAHM
Cc1cccc2c(-c3ccc([O-])c(F)c3)c[nH]c21	ZINC000067743332	179208156	/nfs/dbraw/zinc/20/81/56/179208156.db2.gz	LCRRPGZZGUNOEJ-UHFFFAOYSA-N	-1	3	241.265	3.988	50	0		BHAAHM
CCOc1ncccc1-c1cc(Cl)ccc1[O-]	ZINC000067982027	383965319	/nfs/dbraw/zinc/96/53/19/383965319.db2.gz	VWAHCTOSNZJDLT-UHFFFAOYSA-N	-1	3	249.697	3.506	50	0		BHAAHM
[O-]c1ccc(-c2nccn2C2CCC2)c(Cl)c1	ZINC000071419174	183265983	/nfs/dbraw/zinc/26/59/83/183265983.db2.gz	ZDYLRQPSSWSAQD-UHFFFAOYSA-N	-1	3	248.713	3.634	50	0		BHAAHM
CCCC(=O)c1ccc([O-])c(C(C)(C)C)c1	ZINC000071452285	643148932	/nfs/dbraw/zinc/14/89/32/643148932.db2.gz	MSXGAVIXIHUKMP-UHFFFAOYSA-N	-1	3	220.312	3.673	50	0		BHAAHM
CCCC(=O)c1cc(C(C)C)c([O-])cc1C	ZINC000071455972	643148650	/nfs/dbraw/zinc/14/86/50/643148650.db2.gz	CRSNIULSOONOTK-UHFFFAOYSA-N	-1	3	220.312	3.807	50	0		BHAAHM
Cc1cc([O-])c(C(C)C)cc1C(=O)C(C)C	ZINC000075854531	178195936	/nfs/dbraw/zinc/19/59/36/178195936.db2.gz	XAHNMYDPUHUCDL-UHFFFAOYSA-N	-1	3	220.312	3.663	50	0		BHAAHM
CC(C)CC(=O)c1ccc([O-])c(C(C)C)c1	ZINC000088120901	644509723	/nfs/dbraw/zinc/50/97/23/644509723.db2.gz	MAGSNKCFQKONPF-UHFFFAOYSA-N	-1	3	220.312	3.744	50	0		BHAAHM
CC(C)c1cc(C(=O)C(C)(C)C)ccc1[O-]	ZINC000088120902	644509286	/nfs/dbraw/zinc/50/92/86/644509286.db2.gz	RJZNSXCAVPWACJ-UHFFFAOYSA-N	-1	3	220.312	3.744	50	0		BHAAHM
CC[C@@H](C)c1cc(C(=O)C(C)C)ccc1[O-]	ZINC000088120910	644510148	/nfs/dbraw/zinc/51/01/48/644510148.db2.gz	RXHIZKYCLPNWPP-SNVBAGLBSA-N	-1	3	220.312	3.744	50	0		BHAAHM
CC[C@H](C)c1cc(C(=O)C(C)C)ccc1[O-]	ZINC000088120911	644509159	/nfs/dbraw/zinc/50/91/59/644509159.db2.gz	RXHIZKYCLPNWPP-JTQLQIEISA-N	-1	3	220.312	3.744	50	0		BHAAHM
CCCC(=O)c1ccc([O-])c([C@@H](C)CC)c1	ZINC000088120912	644509624	/nfs/dbraw/zinc/50/96/24/644509624.db2.gz	SUSKDGYHRYEJPO-JTQLQIEISA-N	-1	3	220.312	3.889	50	0		BHAAHM
CCCC(=O)c1ccc([O-])c([C@H](C)CC)c1	ZINC000088120913	644510496	/nfs/dbraw/zinc/51/04/96/644510496.db2.gz	SUSKDGYHRYEJPO-SNVBAGLBSA-N	-1	3	220.312	3.889	50	0		BHAAHM
CC(C)C(=O)c1ccc([O-])c(C(C)(C)C)c1	ZINC000088120916	644509403	/nfs/dbraw/zinc/50/94/03/644509403.db2.gz	KMBKBEPRKVRSHI-UHFFFAOYSA-N	-1	3	220.312	3.528	50	0		BHAAHM
Cc1cc(C(=O)C(C)C)c(C(C)C)cc1[O-]	ZINC000088120925	644509967	/nfs/dbraw/zinc/50/99/67/644509967.db2.gz	VFXSFMKPWLJEAJ-UHFFFAOYSA-N	-1	3	220.312	3.663	50	0		BHAAHM
CCCC(=O)c1cc(C)c([O-])cc1C(C)C	ZINC000088120926	644510204	/nfs/dbraw/zinc/51/02/04/644510204.db2.gz	YFQBBXNGBDYQNB-UHFFFAOYSA-N	-1	3	220.312	3.807	50	0		BHAAHM
S=c1[n-]c(Cl)cc2cc(Cl)ccc21	ZINC000095099983	188145808	/nfs/dbraw/zinc/14/58/08/188145808.db2.gz	YJYLLQLBKLKWBM-UHFFFAOYSA-N	-1	3	230.119	3.830	50	0		BHAAHM
Cc1ccc(-c2ccccc2)c(F)c1[O-]	ZINC000096171895	178326511	/nfs/dbraw/zinc/32/65/11/178326511.db2.gz	RNZJFFCFARLHJP-UHFFFAOYSA-N	-1	3	202.228	3.507	50	0		BHAAHM
S=C1[N-]c2ccccc2[C@@H]1C1CCCC1	ZINC000102402922	183313283	/nfs/dbraw/zinc/31/32/83/183313283.db2.gz	UGTGFCFXKDSUOH-LBPRGKRZSA-N	-1	3	217.337	3.713	50	0		BHAAHM
[O-]c1ccc(OCc2ccccc2)cc1Cl	ZINC000113868257	183277410	/nfs/dbraw/zinc/27/74/10/183277410.db2.gz	NOMSDLZEVCVWMR-UHFFFAOYSA-N	-1	3	234.682	3.625	50	0		BHAAHM
Cc1cc(C(=O)c2ccccc2)c(C)c(C)c1[O-]	ZINC000129729276	591391010	/nfs/dbraw/zinc/39/10/10/591391010.db2.gz	AQLFBJFEKUUWDK-UHFFFAOYSA-N	-1	3	240.302	3.548	50	0		BHAAHM
CC(C)CC(=O)c1ccc([O-])c(C(C)(C)C)c1	ZINC000129730819	591390768	/nfs/dbraw/zinc/39/07/68/591390768.db2.gz	GSFHBVUZACLPMQ-UHFFFAOYSA-N	-1	3	234.339	3.919	50	0		BHAAHM
CC(C)(C)C(=O)c1ccc([O-])c(C(C)(C)C)c1	ZINC000129731071	591392055	/nfs/dbraw/zinc/39/20/55/591392055.db2.gz	RWVLQMJQVMJZCA-UHFFFAOYSA-N	-1	3	234.339	3.919	50	0		BHAAHM
Cc1cc([O-])c(C(C)(C)C)cc1C(=O)C1CC1	ZINC000129731338	591391856	/nfs/dbraw/zinc/39/18/56/591391856.db2.gz	YZGVAJAZKQYKIK-UHFFFAOYSA-N	-1	3	232.323	3.591	50	0		BHAAHM
Cc1cc([O-])c(C(C)(C)C)cc1C(=O)C(C)C	ZINC000129731999	591392184	/nfs/dbraw/zinc/39/21/84/591392184.db2.gz	FEWWTHVKLSPOHF-UHFFFAOYSA-N	-1	3	234.339	3.837	50	0		BHAAHM
CCCC(=O)c1cc(C(C)(C)C)c([O-])cc1C	ZINC000129732231	591392514	/nfs/dbraw/zinc/39/25/14/591392514.db2.gz	IYATZULMEKXYKD-UHFFFAOYSA-N	-1	3	234.339	3.981	50	0		BHAAHM
CCCCCCOc1ccc([O-])c(F)c1F	ZINC000142410897	345869588	/nfs/dbraw/zinc/86/95/88/345869588.db2.gz	BBWXIWOATNTDBY-UHFFFAOYSA-N	-1	3	230.254	3.630	50	0		BHAAHM
[O-]c1cccnc1Sc1ccc(Cl)cc1	ZINC000146336269	368393892	/nfs/dbraw/zinc/39/38/92/368393892.db2.gz	WFEVCHGUQXWWRC-UHFFFAOYSA-N	-1	3	237.711	3.592	50	0		BHAAHM
CCCCOc1c(Cl)cc([O-])cc1Cl	ZINC000217343831	350015185	/nfs/dbraw/zinc/01/51/85/350015185.db2.gz	YNFSDXHSMBKCCT-UHFFFAOYSA-N	-1	3	235.110	3.878	50	0		BHAAHM
CC(=NNc1ccccc1C)c1ccccc1[O-]	ZINC000254348627	388677220	/nfs/dbraw/zinc/67/72/20/388677220.db2.gz	KHODAHUBVWIZFV-UHFFFAOYSA-N	-1	3	240.306	3.537	50	0		BHAAHM
CC(=NNc1ccc(C)cc1)c1ccccc1[O-]	ZINC000254399901	388736328	/nfs/dbraw/zinc/73/63/28/388736328.db2.gz	DOWOOZMPVHEODR-UHFFFAOYSA-N	-1	3	240.306	3.537	50	0		BHAAHM
CC(=NNc1cccc(C)c1)c1ccccc1[O-]	ZINC000254876398	411186079	/nfs/dbraw/zinc/18/60/79/411186079.db2.gz	KJWIRORCBOWBGH-UHFFFAOYSA-N	-1	3	240.306	3.537	50	0		BHAAHM
CC(C)(C)c1ccccc1Oc1ccc([O-])cn1	ZINC000261493575	385815436	/nfs/dbraw/zinc/81/54/36/385815436.db2.gz	DXVPMUPFNBMGOA-UHFFFAOYSA-N	-1	3	243.306	3.877	50	0		BHAAHM
CCCCOc1ccc([O-])c(C(F)(F)F)c1	ZINC000261493691	385815304	/nfs/dbraw/zinc/81/53/04/385815304.db2.gz	HDBHAMJGNURSAG-UHFFFAOYSA-N	-1	3	234.217	3.590	50	0		BHAAHM
[O-]c1cc(F)c(OC2CCCC2)c(Cl)c1	ZINC000261493716	183258452	/nfs/dbraw/zinc/25/84/52/183258452.db2.gz	HUJPCAKXPOQDSB-UHFFFAOYSA-N	-1	3	230.666	3.506	50	0		BHAAHM
[O-]c1cc(Cl)cc(OCc2ccccc2)c1	ZINC000261494138	183259364	/nfs/dbraw/zinc/25/93/64/183259364.db2.gz	QSEHCSLFESGHMU-UHFFFAOYSA-N	-1	3	234.682	3.625	50	0		BHAAHM
COc1ccc([O-])c(-c2cccc(C(C)C)n2)c1	ZINC000426567126	206050611	/nfs/dbraw/zinc/05/06/11/206050611.db2.gz	RFFQUUONWURASJ-UHFFFAOYSA-N	-1	3	243.306	3.586	50	0		BHAAHM
Cc1sccc1-c1cccc([O-])c1F	ZINC000725269988	538101905	/nfs/dbraw/zinc/10/19/05/538101905.db2.gz	AYXPDBZPJYEJGZ-UHFFFAOYSA-N	-1	3	208.257	3.568	50	0		BHAAHM
Cc1ccc(-c2cccc([O-])c2F)cc1F	ZINC000725270040	538102089	/nfs/dbraw/zinc/10/20/89/538102089.db2.gz	CZRCLFOBBHCRFQ-UHFFFAOYSA-N	-1	3	220.218	3.646	50	0		BHAAHM
CC(C)c1csc(-c2cccc([O-])c2F)n1	ZINC000725270572	538102716	/nfs/dbraw/zinc/10/27/16/538102716.db2.gz	MNSMBEGDYVCBHZ-UHFFFAOYSA-N	-1	3	237.299	3.778	50	0		BHAAHM
Cc1cc(-c2cccc([O-])c2F)cs1	ZINC000725270860	539026927	/nfs/dbraw/zinc/02/69/27/539026927.db2.gz	TWSAVUYWQBWGOV-UHFFFAOYSA-N	-1	3	208.257	3.568	50	0		BHAAHM