smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000002981351	342729045	/nfs/dbraw/zinc/72/90/45/342729045.db2.gz	NEWBESJIUIWGMS-UHFFFAOYSA-N	-1	0	230.223	0.744	50	10		BCCARM
O=C1[N-]C(=O)C(=Cc2cccc(O)c2)C(=O)N1	ZINC000002981439	342729195	/nfs/dbraw/zinc/72/91/95/342729195.db2.gz	UPFASLMHCOQDJG-UHFFFAOYSA-N	-1	0	232.195	0.142	50	10		BCCARM
O=C1[N-]C(=O)C(=C/C=C\c2ccccc2)C(=O)N1	ZINC000004934073	342754491	/nfs/dbraw/zinc/75/44/91/342754491.db2.gz	CRQHPZFBGAKYRX-DAXSKMNVSA-N	-1	0	242.234	0.992	50	10		BCCARM
Nc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000008703670	342803002	/nfs/dbraw/zinc/80/30/02/342803002.db2.gz	QRSAYPXWBFJXBT-SSDOTTSWSA-N	-1	0	220.228	0.706	50	10		BCCARM
CN1C(=O)[N-]C(=O)/C(=C/c2ccc[nH]2)C1=O	ZINC000020841010	349876965	/nfs/dbraw/zinc/87/69/65/349876965.db2.gz	AFEFNXZKCCJBDE-ALCCZGGFSA-N	-1	0	219.200	0.106	50	10		BCCARM
COC(=O)c1sc(C(=O)OC)c(O)c1[O-]	ZINC000000129567	342676060	/nfs/dbraw/zinc/67/60/60/342676060.db2.gz	ZZVINKJCOXPIKL-UHFFFAOYSA-N	-1	0	232.213	0.733	50	10		BCCARM
CC[C@@H](C(=O)[O-])N1C(=O)CSC1=S	ZINC000001239571	342698694	/nfs/dbraw/zinc/69/86/94/342698694.db2.gz	NNQBLGBOIVVEBX-BYPYZUCNSA-N	-1	0	219.287	0.710	50	10		BCCARM
O=C1[N-]C(=O)C(=CNc2ccccc2)C(=O)N1	ZINC000007017215	342787377	/nfs/dbraw/zinc/78/73/77/342787377.db2.gz	FTDMVSVIAUREKX-UHFFFAOYSA-N	-1	0	231.211	0.348	50	10		BCCARM
CN1C(=O)[N-]C(=O)/C(=C\c2ccc[nH]2)C1=O	ZINC000000440841	346418736	/nfs/dbraw/zinc/41/87/36/346418736.db2.gz	AFEFNXZKCCJBDE-FNORWQNLSA-N	-1	0	219.200	0.106	50	10		BCCARM
CN(C)c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1	ZINC000003002760	347523023	/nfs/dbraw/zinc/52/30/23/347523023.db2.gz	ZCMFPXRGEZDRGI-UHFFFAOYSA-N	-1	0	249.226	0.095	50	10		BCCARM
CC[C@H](C(=O)[O-])N1C(=O)CSC1=S	ZINC000001239572	171236481	/nfs/dbraw/zinc/23/64/81/171236481.db2.gz	NNQBLGBOIVVEBX-SCSAIBSYSA-N	-1	0	219.287	0.710	50	10		BCCARM
CN1C(=O)[C@H](CC(=O)[O-])SC1=S	ZINC000096232110	172972395	/nfs/dbraw/zinc/97/23/95/172972395.db2.gz	QIAFFGCFDGJYRM-VKHMYHEASA-N	-1	0	205.260	0.320	50	10		BCCARM
CN1CCN(Cc2cc(C=O)ccc2[O-])CC1	ZINC000019735606	173087845	/nfs/dbraw/zinc/08/78/45/173087845.db2.gz	RSGCVVRIRVIRDS-UHFFFAOYSA-N	-1	0	234.299	0.952	50	10		BCCARM
CSc1[n-]n2c(nc(C)cc2=O)c1C(N)=O	ZINC000038813585	175591039	/nfs/dbraw/zinc/59/10/39/175591039.db2.gz	JRYWNOVESPRHOB-UHFFFAOYSA-N	-1	0	238.272	0.564	50	10		BCCARM
O=C1NC(=S)S/C1=C/NC[C@H]1CCCO1	ZINC000108772602	490147935	/nfs/dbraw/zinc/14/79/35/490147935.db2.gz	CYJJJRMRBUYSPB-LUFONEFESA-N	-1	0	244.341	0.744	50	10		BCCARM
Cc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)s1	ZINC000002811577	342727195	/nfs/dbraw/zinc/72/71/95/342727195.db2.gz	NTXURWGEQULWEA-UHFFFAOYSA-N	-1	0	236.252	0.806	50	10		BCCARM
O=C1[N-]C(=O)C(=Cc2cccs2)C(=O)N1	ZINC000002859852	346534270	/nfs/dbraw/zinc/53/42/70/346534270.db2.gz	VNCNRGORRVUAOZ-UHFFFAOYSA-N	-1	0	222.225	0.498	50	10		BCCARM
CCN1C(=O)[N-]C(=O)/C(=C\c2ccc[nH]2)C1=O	ZINC000101529437	356413886	/nfs/dbraw/zinc/41/38/86/356413886.db2.gz	DSBSBSIWILJTHJ-SOFGYWHQSA-N	-1	0	233.227	0.496	50	10		BCCARM
Cn1cccc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000008971786	373110649	/nfs/dbraw/zinc/11/06/49/373110649.db2.gz	IYEQRUJHDCRXIC-UHFFFAOYSA-N	-1	0	219.200	0.615	50	10		BCCARM
O=C([O-])Cc1cc(=O)oc2cc(O)c(O)cc12	ZINC000000057799	383822098	/nfs/dbraw/zinc/82/20/98/383822098.db2.gz	VZBNZFYHLQRFPS-UHFFFAOYSA-N	-1	0	236.179	0.831	50	10	in-vitro	BCCARM
COC(=O)c1cc(O)c([O-])c([N+](=O)[O-])c1	ZINC000038175059	386126132	/nfs/dbraw/zinc/12/61/32/386126132.db2.gz	NJDBUIWQZVNVNW-UHFFFAOYSA-N	-1	0	213.145	0.793	50	10		BCCARM
Cc1[n-]n(C)c(=O)c1C=C1C(C)=NN(C)C1=O	ZINC000000091497	168133228	/nfs/dbraw/zinc/13/32/28/168133228.db2.gz	UKPZSQALIQQVES-WEVVVXLNSA-N	-1	0	234.259	0.665	50	10		BCCARM
CNC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000006361260	536305836	/nfs/dbraw/zinc/30/58/36/536305836.db2.gz	LOEULDVYBWRIOY-CLFYSBASSA-N	-1	0	245.238	0.373	50	10		BCCARM
CN1C(=O)[N-]C(=O)/C(=C\c2ccc(O)cc2)C1=O	ZINC000000100712	344428388	/nfs/dbraw/zinc/42/83/88/344428388.db2.gz	FJADJBHGWXKQIY-RMKNXTFCSA-N	-1	0	246.222	0.484	50	10		BCCARM
O=C1[N-]C(=O)C(=CC2CCCCC2)C(=O)N1	ZINC000008734939	182791777	/nfs/dbraw/zinc/79/17/77/182791777.db2.gz	MUUDQORHJIUFKQ-UHFFFAOYSA-N	-1	0	222.244	0.859	50	10		BCCARM
O=C1[N-]C(=O)C(=CNC2CCCCC2)C(=O)N1	ZINC000100502427	384645752	/nfs/dbraw/zinc/64/57/52/384645752.db2.gz	GFPIQZBNRHCDPV-UHFFFAOYSA-N	-1	0	237.259	0.159	50	10		BCCARM
CCOC(=O)c1sc(=S)[nH]c1[O-]	ZINC000012505837	170283173	/nfs/dbraw/zinc/28/31/73/170283173.db2.gz	ZDQRTEMDYIZKBX-VKHMYHEASA-N	-1	0	205.260	0.066	50	10		BCCARM
O=C([O-])[C@@H]1CCC(=O)N1Cc1ccccc1O	ZINC000000395944	342686209	/nfs/dbraw/zinc/68/62/09/342686209.db2.gz	FAOXEJASUZLAID-VIFPVBQESA-N	-1	0	235.239	0.968	50	10		BCCARM
COC(=O)c1sc(S(C)(=O)=O)cc1[O-]	ZINC000034567331	343275027	/nfs/dbraw/zinc/27/50/27/343275027.db2.gz	GSNPSDQQLMUUKM-UHFFFAOYSA-N	-1	0	236.270	0.644	50	10		BCCARM
CN1C(=O)[N-]C(=O)/C(=C\C=C\c2ccco2)C1=O	ZINC000000086733	344286759	/nfs/dbraw/zinc/28/67/59/344286759.db2.gz	WLYFXVUBKUTKOE-PPVYKKJJSA-N	-1	0	246.222	0.927	50	10		BCCARM
O=C1[N-]C(=O)C(=Cc2ccc[nH]2)C(=O)N1	ZINC000009044113	359684854	/nfs/dbraw/zinc/68/48/54/359684854.db2.gz	PIQVFMMKNFBHKA-UHFFFAOYSA-N	-1	0	205.173	0.604	50	10		BCCARM
O=[N+]([O-])c1cc(O)c([O-])c([N+](=O)[O-])c1	ZINC000002170217	182924509	/nfs/dbraw/zinc/92/45/09/182924509.db2.gz	VDCDWNDTNSWDFJ-UHFFFAOYSA-N	-1	0	200.106	0.914	50	10	in-vivo	BCCARM
O=C1[N-]C(=O)C(=CNc2cccc(O)c2)C(=O)N1	ZINC000002832193	342727256	/nfs/dbraw/zinc/72/72/56/342727256.db2.gz	IUPGSWOCINPJKL-UHFFFAOYSA-N	-1	0	247.210	0.054	50	10		BCCARM
O=C1[N-]C(=O)C(=CNc2ccc(F)cc2)C(=O)N1	ZINC000004477862	342873095	/nfs/dbraw/zinc/87/30/95/342873095.db2.gz	UTWJCGFAXIMNBM-UHFFFAOYSA-N	-1	0	249.201	0.488	50	10		BCCARM
CCCCCCNC=C1C(=O)[N-]C(=O)NC1=O	ZINC000019595313	342952029	/nfs/dbraw/zinc/95/20/29/342952029.db2.gz	HHCNXMFHLCCRHR-UHFFFAOYSA-N	-1	0	239.275	0.406	50	10		BCCARM
O=C1NC(=S)S/C1=C/NC[C@@H]1CCCO1	ZINC000108772608	490147894	/nfs/dbraw/zinc/14/78/94/490147894.db2.gz	CYJJJRMRBUYSPB-YXXZKMSWSA-N	-1	0	244.341	0.744	50	10		BCCARM
Cc1cccnc1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000010272051	374285357	/nfs/dbraw/zinc/28/53/57/374285357.db2.gz	JDMIKUJIRAVNLH-UHFFFAOYSA-N	-1	0	246.226	0.052	50	10		BCCARM
O=C([O-])C[NH2+]Cc1cc(C(=O)[O-])ccc1O	ZINC000000389806	383861054	/nfs/dbraw/zinc/86/10/54/383861054.db2.gz	ZASGCNOMAYYQIX-UHFFFAOYSA-N	-1	0	225.200	0.265	50	10		BCCARM
O=C1[N-]C(=O)C(=CNc2ccccc2O)C(=O)N1	ZINC000100836363	387472719	/nfs/dbraw/zinc/47/27/19/387472719.db2.gz	KCUXBOYTDCWPMU-UHFFFAOYSA-N	-1	0	247.210	0.054	50	10		BCCARM
CN1C(=O)[N-]C(=O)/C(=C\c2cccs2)C1=O	ZINC000000447030	345764655	/nfs/dbraw/zinc/76/46/55/345764655.db2.gz	ONZQFFDDZHZDNO-FNORWQNLSA-N	-1	0	236.252	0.840	50	10		BCCARM
O=C1[N-]C(=O)C(=CNN2CCCCC2)C(=O)N1	ZINC000017057331	363007329	/nfs/dbraw/zinc/00/73/29/363007329.db2.gz	NRQZKBDTOAWCBK-UHFFFAOYSA-N	-1	0	238.247	0.067	50	10		BCCARM
Nc1ccc(NC(=O)c2[nH]cnc2C(=O)[O-])cc1	ZINC000002505907	383966911	/nfs/dbraw/zinc/96/69/11/383966911.db2.gz	HQARDVLSJLCFBA-UHFFFAOYSA-N	-1	0	246.226	0.942	50	10		BCCARM
COC(=O)c1c(C)[n-]n2c1nc(C)cc2=O	ZINC000038701020	384094695	/nfs/dbraw/zinc/09/46/95/384094695.db2.gz	WHWHHBDGOTWBPV-UHFFFAOYSA-N	-1	0	221.216	0.838	50	10		BCCARM
CC(C)CCCNC=C1C(=O)[N-]C(=O)NC1=O	ZINC000019595432	384527462	/nfs/dbraw/zinc/52/74/62/384527462.db2.gz	ILCKPUBKAKSXSX-UHFFFAOYSA-N	-1	0	239.275	0.262	50	10		BCCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CN)C2=O)cc1	ZINC000100137477	384619511	/nfs/dbraw/zinc/61/95/11/384619511.db2.gz	BKZPRZBTKGGOSP-RMKNXTFCSA-N	-1	0	245.238	0.420	50	10		BCCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CN)C2=O)c1	ZINC000006090322	132318080	/nfs/dbraw/zinc/31/80/80/132318080.db2.gz	OMXWJKOFEVBEAD-TWGQIWQCSA-N	-1	0	245.238	0.420	50	10		BCCARM
Cc1[n-]n(-c2ccc(N)cc2)c(=O)c1CCO	ZINC000005191959	168133313	/nfs/dbraw/zinc/13/33/13/168133313.db2.gz	DPPAGCJVWKAMJW-NSHDSACASA-N	-1	0	233.271	0.990	50	10		BCCARM
CC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000013351421	488091884	/nfs/dbraw/zinc/09/18/84/488091884.db2.gz	RGCLHVKCJVVHLN-MRVPVSSYSA-N	-1	0	239.227	0.230	50	10		BCCARM
CN1C(=O)[C@@H](CC(=O)[O-])SC1=S	ZINC000002578618	342725534	/nfs/dbraw/zinc/72/55/34/342725534.db2.gz	QIAFFGCFDGJYRM-GSVOUGTGSA-N	-1	0	205.260	0.320	50	10		BCCARM
Cc1ccsc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000013570591	342867906	/nfs/dbraw/zinc/86/79/06/342867906.db2.gz	AGWDCSSMPLTUAA-UHFFFAOYSA-N	-1	0	236.252	0.806	50	10		BCCARM
Cn1cccc1/C=C1\C(=O)[N-]C(=O)N(C)C1=O	ZINC000012428174	350675582	/nfs/dbraw/zinc/67/55/82/350675582.db2.gz	QRRMRJCEDDHYLJ-SOFGYWHQSA-N	-1	0	233.227	0.117	50	10		BCCARM
NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC000004731368	181215482	/nfs/dbraw/zinc/21/54/82/181215482.db2.gz	SPFXLCCBWAJCHQ-UHFFFAOYSA-N	-1	0	203.201	0.265	50	10		BCCARM
CC[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)[O-]	ZINC000040482250	358435115	/nfs/dbraw/zinc/43/51/15/358435115.db2.gz	WZDTXHZKHLCQMP-JTQLQIEISA-N	-1	0	236.271	0.791	50	10		BCCARM
[O-]c1c(O)cc(-c2nn[nH]n2)cc1Cl	ZINC000034929191	183256421	/nfs/dbraw/zinc/25/64/21/183256421.db2.gz	FZFYLXRCIFZRTA-UHFFFAOYSA-N	-1	0	212.596	0.931	50	10		BCCARM
CS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000011736406	384295600	/nfs/dbraw/zinc/29/56/00/384295600.db2.gz	BLKPCFNDGFDHEM-UHFFFAOYSA-N	-1	0	231.229	0.462	50	10		BCCARM
C[C@@H]1SC(=S)N(CCC(=O)[O-])C1=O	ZINC000004745883	384690974	/nfs/dbraw/zinc/69/09/74/384690974.db2.gz	AXJBXMCGSULBJF-BYPYZUCNSA-N	-1	0	219.287	0.710	50	10		BCCARM
COc1ccccc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000009330793	175320674	/nfs/dbraw/zinc/32/06/74/175320674.db2.gz	AYVCVCZXKMIXRW-UHFFFAOYSA-N	-1	0	246.222	0.445	50	10		BCCARM
Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)oc1C	ZINC000005680934	342768507	/nfs/dbraw/zinc/76/85/07/342768507.db2.gz	BAOBJFLXBJLRSO-UHFFFAOYSA-N	-1	0	234.211	0.646	50	10		BCCARM
Cc1nn(C)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000036621647	180365284	/nfs/dbraw/zinc/36/52/84/180365284.db2.gz	QNFJRGFWBCXMQX-UHFFFAOYSA-N	-1	0	234.215	0.318	50	10		BCCARM
Cc1ccc(NC=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000008974446	373110518	/nfs/dbraw/zinc/11/05/18/373110518.db2.gz	KMTSJYDQRLPDJW-UHFFFAOYSA-N	-1	0	245.238	0.657	50	10		BCCARM
O=C1[N-]C(=O)C(=Cc2ccc(O)cc2)C(=O)N1	ZINC000008995178	182789150	/nfs/dbraw/zinc/78/91/50/182789150.db2.gz	KSOJQSBHVKAHPC-UHFFFAOYSA-N	-1	0	232.195	0.982	50	10		BCCARM
CN(C)c1ccc(/C=C2/NC(=O)[N-]C2=O)cc1	ZINC000000187230	383842213	/nfs/dbraw/zinc/84/22/13/383842213.db2.gz	KLVRHZIOWMWJOC-JXMROGBWSA-N	-1	0	231.255	0.933	50	10		BCCARM
O=C([O-])CCN1C(=O)CSC1=S	ZINC000001627166	383915749	/nfs/dbraw/zinc/91/57/49/383915749.db2.gz	SWAHCTPCIUXXTQ-UHFFFAOYSA-N	-1	0	205.260	0.321	50	10		BCCARM
CC[C@H](CO)NC=C1SC(=S)NC1=O	ZINC000020032809	384571590	/nfs/dbraw/zinc/57/15/90/384571590.db2.gz	VSPLVNJXKIDXIL-NSHLVMESSA-N	-1	0	232.330	0.336	50	10		BCCARM
O=C1[N-]C(=O)C(N=Nc2ccccc2)C(=O)N1	ZINC000252618164	387486994	/nfs/dbraw/zinc/48/69/94/387486994.db2.gz	LENIKKUBCYHZPN-UHFFFAOYSA-N	-1	0	232.199	0.505	50	10		BCCARM
CCOC(=O)c1nc[n-]c1N=NN(C)N	ZINC000005502135	170308294	/nfs/dbraw/zinc/30/82/94/170308294.db2.gz	PKKQHWKRXDTZOM-VAWYXSNFSA-N	-1	0	212.213	0.391	50	10		BCCARM
CC[C@@H]1SC(=S)N(CC(=O)[O-])C1=O	ZINC000003163288	171153265	/nfs/dbraw/zinc/15/32/65/171153265.db2.gz	PRPIIQBWDQAGMX-BYPYZUCNSA-N	-1	0	219.287	0.710	50	10		BCCARM
Cc1ccc(/C=C/C=C2C(=O)[N-]C(=O)NC2=O)o1	ZINC000022016916	178354584	/nfs/dbraw/zinc/35/45/84/178354584.db2.gz	YHRBDTFSELRHDT-NSCUHMNNSA-N	-1	0	246.222	0.894	50	10		BCCARM
C[C@@H](C(=O)[O-])N1C(=O)CSC1=S	ZINC000000966850	342694948	/nfs/dbraw/zinc/69/49/48/342694948.db2.gz	STSZELICBFRQES-VKHMYHEASA-N	-1	0	205.260	0.320	50	10		BCCARM
CN1C(=O)[N-]C(=O)/C(=C/c2ccco2)C1=O	ZINC000004764574	342751783	/nfs/dbraw/zinc/75/17/83/342751783.db2.gz	TZPXMOQLOJHEJT-ALCCZGGFSA-N	-1	0	220.184	0.371	50	10		BCCARM
Nc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000008703671	342802962	/nfs/dbraw/zinc/80/29/62/342802962.db2.gz	QRSAYPXWBFJXBT-ZETCQYMHSA-N	-1	0	220.228	0.706	50	10		BCCARM
O=C1[N-]C(=O)C(=Cc2ccco2)C(=O)N1	ZINC000009045621	342807392	/nfs/dbraw/zinc/80/73/92/342807392.db2.gz	XDWMFQLVGXHUJV-UHFFFAOYSA-N	-1	0	206.157	0.869	50	10		BCCARM
O=C1[N-]C(=O)C(=Cc2ccc(Cl)o2)C(=O)N1	ZINC000005945278	351335349	/nfs/dbraw/zinc/33/53/49/351335349.db2.gz	HLHOQFOBUUPLGU-UHFFFAOYSA-N	-1	0	240.602	0.682	50	10		BCCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CN)C2=O)c1	ZINC000100144956	384619159	/nfs/dbraw/zinc/61/91/59/384619159.db2.gz	OMXWJKOFEVBEAD-RMKNXTFCSA-N	-1	0	245.238	0.420	50	10		BCCARM
CC(C)[C@@H](C(=O)[O-])N1C(=O)CSC1=S	ZINC000000966852	167345719	/nfs/dbraw/zinc/34/57/19/167345719.db2.gz	CAFMKIQOSYUXLI-LURJTMIESA-N	-1	0	233.314	0.956	50	10		BCCARM
Cc1[n-]n(-c2ccc(N)cc2)c(=O)c1CCO	ZINC000100809925	168133917	/nfs/dbraw/zinc/13/39/17/168133917.db2.gz	DPPAGCJVWKAMJW-LLVKDONJSA-N	-1	0	233.271	0.990	50	10		BCCARM
CS(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000042431760	175432414	/nfs/dbraw/zinc/43/24/14/175432414.db2.gz	BHMXDAMTDRRCKQ-UHFFFAOYSA-N	-1	0	231.229	0.462	50	10		BCCARM
O=C1C[C@@H](S(=O)(=O)[O-])c2ccccc2C1=O	ZINC000002028933	342714851	/nfs/dbraw/zinc/71/48/51/342714851.db2.gz	GPGQGNSBDPJXPW-SECBINFHSA-N	-1	0	240.236	0.771	50	10		BCCARM
CN1C(=O)[N-]C(=O)/C(=C/c2ccc(F)cc2)C1=O	ZINC000004790867	344249023	/nfs/dbraw/zinc/24/90/23/344249023.db2.gz	QSEKERIULRAYHL-TWGQIWQCSA-N	-1	0	248.213	0.917	50	10		BCCARM
CN1C(=O)[N-]C(=O)/C(=C\c2cccc(O)c2)C1=O	ZINC000000440837	345762482	/nfs/dbraw/zinc/76/24/82/345762482.db2.gz	ILILANCKAJQRGM-RMKNXTFCSA-N	-1	0	246.222	0.484	50	10		BCCARM
Cc1ccccc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000003213897	179256544	/nfs/dbraw/zinc/25/65/44/179256544.db2.gz	YFQCFZBGKOFIMZ-UHFFFAOYSA-N	-1	0	230.223	0.744	50	10		BCCARM
O=C1NC(=S)NC1=Cc1ccc(O)c(O)c1	ZINC000015938708	188222157	/nfs/dbraw/zinc/22/21/57/188222157.db2.gz	OSTLJEUWXFTSSU-ZZXKWVIFSA-N	-1	0	236.252	0.443	50	10		BCCARM
O=C([O-])CCCN1C(=O)CSC1=S	ZINC000001774573	383936059	/nfs/dbraw/zinc/93/60/59/383936059.db2.gz	KCDHBLVYRSYUBV-UHFFFAOYSA-N	-1	0	219.287	0.712	50	10		BCCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CN)C2=O)cc1	ZINC000006488019	132318270	/nfs/dbraw/zinc/31/82/70/132318270.db2.gz	BKZPRZBTKGGOSP-TWGQIWQCSA-N	-1	0	245.238	0.420	50	10		BCCARM
CCOC(=O)c1c(N)[n-]n2c1nc(C)cc2=O	ZINC000104028288	170289152	/nfs/dbraw/zinc/28/91/52/170289152.db2.gz	RHPAIDGMLIGKPU-UHFFFAOYSA-N	-1	0	236.231	0.502	50	10		BCCARM
O=C([O-])c1cc2cc(O)c(O)cc2oc1=O	ZINC000013337194	342866049	/nfs/dbraw/zinc/86/60/49/342866049.db2.gz	STCWBNGIVIFZHI-UHFFFAOYSA-N	-1	0	222.152	0.902	50	10		BCCARM
O=[N+]([O-])c1cc([O-])c(O)cc1[N+](=O)[O-]	ZINC000034240224	343267130	/nfs/dbraw/zinc/26/71/30/343267130.db2.gz	ZUWVFOJZGCLEKC-UHFFFAOYSA-N	-1	0	200.106	0.914	50	10		BCCARM
O=C1[N-]C(=O)C(=Cc2ccoc2)C(=O)N1	ZINC000002941264	343272842	/nfs/dbraw/zinc/27/28/42/343272842.db2.gz	RFPLSTJCVBSEJN-UHFFFAOYSA-N	-1	0	206.157	0.029	50	10		BCCARM
CC(C)[C@H](C(=O)[O-])N1C(=O)CSC1=S	ZINC000001870909	188455360	/nfs/dbraw/zinc/45/53/60/188455360.db2.gz	CAFMKIQOSYUXLI-ZCFIWIBFSA-N	-1	0	233.314	0.956	50	10		BCCARM
Cc1cccc(NC=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000005647838	384125155	/nfs/dbraw/zinc/12/51/55/384125155.db2.gz	FLWGDCKFEVAYJE-UHFFFAOYSA-N	-1	0	245.238	0.657	50	10		BCCARM
O=Cc1ccc([O-])c(CN2CCOCC2)c1O	ZINC000014980180	384413275	/nfs/dbraw/zinc/41/32/75/384413275.db2.gz	ZKCRXTHOKDPMQE-UHFFFAOYSA-N	-1	0	237.255	0.743	50	10		BCCARM
CC[C@@H](CO)NC=C1SC(=S)NC1=O	ZINC000020032804	384570718	/nfs/dbraw/zinc/57/07/18/384570718.db2.gz	VSPLVNJXKIDXIL-LPHWOVDOSA-N	-1	0	232.330	0.336	50	10		BCCARM
O=C1[N-]C(=O)C(=Cc2ccccc2O)C(=O)N1	ZINC000100054037	387349277	/nfs/dbraw/zinc/34/92/77/387349277.db2.gz	HEVXCZUWVKUXIS-UHFFFAOYSA-N	-1	0	232.195	0.142	50	10		BCCARM
Cc1cc(C)c(C=C2C(=O)[N-]C(=O)NC2=O)[nH]1	ZINC000003467286	177855445	/nfs/dbraw/zinc/85/54/45/177855445.db2.gz	FSOARWTYBYXLSR-UHFFFAOYSA-N	-1	0	233.227	0.381	50	10		BCCARM
CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000013351417	488091851	/nfs/dbraw/zinc/09/18/51/488091851.db2.gz	RGCLHVKCJVVHLN-QMMMGPOBSA-N	-1	0	239.227	0.230	50	10		BCCARM
CN1C(=O)[N-]C(=O)/C(=C\c2ccoc2)C1=O	ZINC000000440835	642775906	/nfs/dbraw/zinc/77/59/06/642775906.db2.gz	NGGWPFQNJJEZJY-QPJJXVBHSA-N	-1	0	220.184	0.371	50	10		BCCARM
O=C([O-])c1ccc(O)c(CN2CCOCC2)c1	ZINC000004974053	342755325	/nfs/dbraw/zinc/75/53/25/342755325.db2.gz	FKOLPZLYCMWJNH-UHFFFAOYSA-N	-1	0	237.255	0.923	50	10		BCCARM
O=C([O-])COC(=O)c1cc(O)c(O)c(O)c1	ZINC000222780355	368405567	/nfs/dbraw/zinc/40/55/67/368405567.db2.gz	KAMUQJYKBDAMKC-UHFFFAOYSA-N	-1	0	228.156	0.045	50	10		BCCARM
CN1C(=O)[N-]C(=O)C(=Cc2ccco2)C1=O	ZINC000009045922	373161878	/nfs/dbraw/zinc/16/18/78/373161878.db2.gz	TZPXMOQLOJHEJT-FNORWQNLSA-N	-1	0	220.184	0.576	50	10		BCCARM
O=C1[N-]C(=O)C(=CNc2cccc(F)c2)C(=O)N1	ZINC000100430796	384639659	/nfs/dbraw/zinc/63/96/59/384639659.db2.gz	FWFQYHJRFUEAFF-UHFFFAOYSA-N	-1	0	249.201	0.488	50	10		BCCARM
O=C([O-])Cc1cc(=O)oc2c(O)c(O)ccc12	ZINC000001237931	386001655	/nfs/dbraw/zinc/00/16/55/386001655.db2.gz	LNRFNPKOQGRTFS-UHFFFAOYSA-N	-1	0	236.179	0.831	50	10	in-vitro	BCCARM
CCOC(=O)c1ccc(-n2[n-]c(=O)cc2O)cc1	ZINC000000055452	170296080	/nfs/dbraw/zinc/29/60/80/170296080.db2.gz	KTWDJCXAZWXNOR-UHFFFAOYSA-N	-1	0	248.238	0.631	50	10		BCCARM
O=C1[N-]C(=O)C(=Cc2ccccc2F)C(=O)N1	ZINC000002981348	342729290	/nfs/dbraw/zinc/72/92/90/342729290.db2.gz	BQRYUINJQDRHKL-UHFFFAOYSA-N	-1	0	234.186	0.575	50	10		BCCARM
O=C1[N-]C(=O)C(=CNCc2ccccc2)C(=O)N1	ZINC000020073757	343271787	/nfs/dbraw/zinc/27/17/87/343271787.db2.gz	QZWUFSREKKHPNW-UHFFFAOYSA-N	-1	0	245.238	0.026	50	10		BCCARM
Cc1ccccc1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000003159575	179304830	/nfs/dbraw/zinc/30/48/30/179304830.db2.gz	FEFNPAOCXOVSRH-UHFFFAOYSA-N	-1	0	245.238	0.657	50	10		BCCARM
O=C1C[C@H](S(=O)(=O)[O-])c2ccccc2C1=O	ZINC000002028932	182784496	/nfs/dbraw/zinc/78/44/96/182784496.db2.gz	GPGQGNSBDPJXPW-VIFPVBQESA-N	-1	0	240.236	0.771	50	10		BCCARM
C[C@H]1SC(=S)N(CCC(=O)[O-])C1=O	ZINC000004745882	384690614	/nfs/dbraw/zinc/69/06/14/384690614.db2.gz	AXJBXMCGSULBJF-SCSAIBSYSA-N	-1	0	219.287	0.710	50	10		BCCARM
COc1cc(C(=O)[O-])c(OC)c(O)c1O	ZINC000015108186	174949661	/nfs/dbraw/zinc/94/96/61/174949661.db2.gz	CJVANWGAFCJIHJ-UHFFFAOYSA-N	-1	0	214.173	0.813	50	10		BCCARM
Cn1cccc1/C=C1/C(=O)[N-]C(=O)N(C)C1=O	ZINC000000033498	398232552	/nfs/dbraw/zinc/23/25/52/398232552.db2.gz	QRRMRJCEDDHYLJ-VURMDHGXSA-N	-1	0	233.227	0.117	50	10		BCCARM
CC[C@H]1SC(=S)N(CC(=O)[O-])C1=O	ZINC000002565595	342724593	/nfs/dbraw/zinc/72/45/93/342724593.db2.gz	PRPIIQBWDQAGMX-SCSAIBSYSA-N	-1	0	219.287	0.710	50	10		BCCARM
CN1C(=O)[N-]C(=O)/C(=C/c2cccs2)C1=O	ZINC000005066780	343273857	/nfs/dbraw/zinc/27/38/57/343273857.db2.gz	ONZQFFDDZHZDNO-ALCCZGGFSA-N	-1	0	236.252	0.840	50	10		BCCARM
CC1=NN(c2ccc(N)cc2)C(=O)[C@H]1N	ZINC000136494420	346234389	/nfs/dbraw/zinc/23/43/89/346234389.db2.gz	BXLNYWYSKQRDRI-VIFPVBQESA-N	-1	0	204.233	0.319	50	10		BCCARM
O=C1[N-]C(=O)C(=CNc2ccc(O)cc2)C(=O)N1	ZINC000017174054	363041229	/nfs/dbraw/zinc/04/12/29/363041229.db2.gz	KWCXAVYKRSNTFR-UHFFFAOYSA-N	-1	0	247.210	0.054	50	10		BCCARM
CN(C)c1ccc([C@@H]([NH3+])P(=O)([O-])[O-])cc1	ZINC000003246646	371926543	/nfs/dbraw/zinc/92/65/43/371926543.db2.gz	ZJZJSZIPEGOHEG-VIFPVBQESA-N	-1	0	230.204	0.888	50	10		BCCARM
CN(C)c1ccc([C@H]([NH3+])P(=O)([O-])[O-])cc1	ZINC000003246648	371927643	/nfs/dbraw/zinc/92/76/43/371927643.db2.gz	ZJZJSZIPEGOHEG-SECBINFHSA-N	-1	0	230.204	0.888	50	10		BCCARM
CCOC(=O)c1sc(=S)[nH]c1[O-]	ZINC000012505836	170260197	/nfs/dbraw/zinc/26/01/97/170260197.db2.gz	ZDQRTEMDYIZKBX-GSVOUGTGSA-N	-1	0	205.260	0.066	50	10		BCCARM
Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)o1	ZINC000000229134	178356634	/nfs/dbraw/zinc/35/66/34/178356634.db2.gz	KEEUWFZZLWYNRG-VMPITWQZSA-N	-1	0	234.211	0.680	50	10		BCCARM
NN(N=Nc1nnn[n-]1)c1ccccc1	ZINC000005478132	346238631	/nfs/dbraw/zinc/23/86/31/346238631.db2.gz	QUTUGDLHOKYQHF-SDNWHVSQSA-N	-1	0	204.197	0.579	50	10		BCCARM
CC(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)[O-]	ZINC000002510605	188100852	/nfs/dbraw/zinc/10/08/52/188100852.db2.gz	FEQBTHHWQQXZTN-JTQLQIEISA-N	-1	0	222.244	0.401	50	10		BCCARM
O=C([N-]N1C(=O)CSC1=S)c1ccco1	ZINC000001465618	182275385	/nfs/dbraw/zinc/27/53/85/182275385.db2.gz	FAZQPRHCOZFTKN-UHFFFAOYSA-N	-1	0	242.281	0.785	50	10		BCCARM
N[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccccc2O)C1	ZINC000067677080	385083011	/nfs/dbraw/zinc/08/30/11/385083011.db2.gz	PSJDXWDEGSFFHV-LBPRGKRZSA-N	-1	0	236.271	0.380	50	10		BCCARM
C[C@H](C(=O)[O-])N1C(=O)CSC1=S	ZINC000000966851	176583760	/nfs/dbraw/zinc/58/37/60/176583760.db2.gz	STSZELICBFRQES-GSVOUGTGSA-N	-1	0	205.260	0.320	50	10		BCCARM