smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCC[C@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)[O-]	ZINC000100716065	295606029	/nfs/dbraw/zinc/60/60/29/295606029.db2.gz	JSLACYUFJWGBDY-QMMMGPOBSA-N	-1	0	303.336	0.502	50	10		DCCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCCO)C2=O)cc1	ZINC000019210521	395691044	/nfs/dbraw/zinc/69/10/44/395691044.db2.gz	LEVKUHBUNKWVDC-XFXZXTDPSA-N	-1	0	303.318	0.434	50	10		DCCARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNC2CC2)C1=O	ZINC000005911700	415134443	/nfs/dbraw/zinc/13/44/43/415134443.db2.gz	UZDKUBZRQGELKU-CSKARUKUSA-N	-1	0	301.302	0.914	50	10		DCCARM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=CNCCO)C2=O)c1	ZINC000006061127	415134794	/nfs/dbraw/zinc/13/47/94/415134794.db2.gz	FNPSVFKDKUCLFF-WQLSENKSSA-N	-1	0	303.318	0.352	50	10		DCCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3nn[nH]n3)C2=O)c1	ZINC000004538235	301997078	/nfs/dbraw/zinc/99/70/78/301997078.db2.gz	HBRRIFDOZFGIDQ-TWGQIWQCSA-N	-1	0	313.277	0.087	50	10		DCCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc(OC)c1OC	ZINC000002282850	395681363	/nfs/dbraw/zinc/68/13/63/395681363.db2.gz	RSVRRCXPMBLTGF-WEVVVXLNSA-N	-1	0	320.301	0.804	50	10		DCCARM
CN1C(=O)C(=Cc2ccc(C(=O)[O-])cc2)C(=O)N(C)C1=S	ZINC000004395517	289790654	/nfs/dbraw/zinc/79/06/54/289790654.db2.gz	YOAXUGOXGNPWLB-UHFFFAOYSA-N	-1	0	304.327	0.984	50	10		DCCARM
NC(=O)Cn1cc(C=C2C(=O)[N-]C(=O)NC2=O)c2ccccc21	ZINC000008973838	395684992	/nfs/dbraw/zinc/68/49/92/395684992.db2.gz	RYYHTLYYULYBHQ-UHFFFAOYSA-N	-1	0	312.285	0.716	50	10		DCCARM
COc1cc([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000006858322	181398304	/nfs/dbraw/zinc/39/83/04/181398304.db2.gz	PZDNCBWDJLDWKB-UHFFFAOYSA-N	-1	0	306.234	0.265	50	10		DCCARM
COc1cc([N+](=O)[O-])cc(CN2CCN(CCO)CC2)c1[O-]	ZINC000019608652	182133669	/nfs/dbraw/zinc/13/36/69/182133669.db2.gz	WKNQHFRSKDQWFC-UHFFFAOYSA-N	-1	0	311.338	0.419	50	10		DCCARM
CN1C(=O)C(=Cc2ccc([O-])c([N+](=O)[O-])c2)C(=O)N(C)C1=O	ZINC000012416522	395687646	/nfs/dbraw/zinc/68/76/46/395687646.db2.gz	FMJDOEIWGPNZSF-UHFFFAOYSA-N	-1	0	305.246	0.734	50	10		DCCARM
Cc1nc2ccccc2n1CCNC=C1C(=O)[N-]C(=O)NC1=O	ZINC000025561769	415160348	/nfs/dbraw/zinc/16/03/48/415160348.db2.gz	YTIQQHGKMJLJOY-UHFFFAOYSA-N	-1	0	313.317	0.184	50	10		DCCARM
Nc1cccc2c1C(=O)c1ccc(S(=O)(=O)[O-])c(N)c1C2=O	ZINC000004016163	395682465	/nfs/dbraw/zinc/68/24/65/395682465.db2.gz	DWBYKKOMRNYEMS-UHFFFAOYSA-N	-1	0	318.310	0.873	50	10		DCCARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)cc(OC)c1OC	ZINC000013774127	395689033	/nfs/dbraw/zinc/68/90/33/395689033.db2.gz	RSVRRCXPMBLTGF-UITAMQMPSA-N	-1	0	320.301	0.804	50	10		DCCARM
O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNCCCO	ZINC000005829770	181287855	/nfs/dbraw/zinc/28/78/55/181287855.db2.gz	ZJDWCWLWZJLZJG-QBFSEMIESA-N	-1	0	321.377	0.811	50	10		DCCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNN1CCOCC1	ZINC000017180183	182079403	/nfs/dbraw/zinc/07/94/03/182079403.db2.gz	WQYIYGSVXSLEBK-FLIBITNWSA-N	-1	0	320.305	0.419	50	10		DCCARM
Nc1cccc2c1C(=O)c1ccc(S(=O)(=O)[O-])c(O)c1C2=O	ZINC000004016167	395682477	/nfs/dbraw/zinc/68/24/77/395682477.db2.gz	VKAPVIIDLNMOHW-UHFFFAOYSA-N	-1	0	319.294	0.997	50	10		DCCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNC3CC3)C2=O)cc1	ZINC000005703201	415134482	/nfs/dbraw/zinc/13/44/82/415134482.db2.gz	SYHBWNBVUTVBMR-XYOKQWHBSA-N	-1	0	301.302	0.914	50	10		DCCARM
CN1C(=O)/C(=C/c2ccccc2OCC(=O)[O-])C(=O)NC1=S	ZINC000004723836	181142152	/nfs/dbraw/zinc/14/21/52/181142152.db2.gz	JBRAPSQIMKTUKX-RMKNXTFCSA-N	-1	0	320.326	0.407	50	10		DCCARM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C\NN1CCOCC1	ZINC000013800672	257233665	/nfs/dbraw/zinc/23/36/65/257233665.db2.gz	FFYHEQNGWWAMIS-BENRWUELSA-N	-1	0	322.365	0.118	50	10		DCCARM
COc1ccc(N2CCN(Cn3[n-]c(=O)ccc3=O)CC2)cc1	ZINC000020026973	395691240	/nfs/dbraw/zinc/69/12/40/395691240.db2.gz	ICLCUYAYPFVUFC-UHFFFAOYSA-N	-1	0	316.361	0.737	50	10		DCCARM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNCCCO	ZINC000006132706	181315800	/nfs/dbraw/zinc/31/58/00/181315800.db2.gz	RIPRWYDFKWYERW-XYOKQWHBSA-N	-1	0	321.308	0.260	50	10		DCCARM
CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(C)C2=O)cc1	ZINC000017086511	182074575	/nfs/dbraw/zinc/07/45/75/182074575.db2.gz	RVNLLXOCGDDLAJ-FLIBITNWSA-N	-1	0	317.301	0.867	50	10		DCCARM
O=Cc1cc(CN2CCOCC2)c([O-])c(CN2CCOCC2)c1	ZINC000299803807	416071633	/nfs/dbraw/zinc/07/16/33/416071633.db2.gz	DTXKAOYTRGOGGG-UHFFFAOYSA-N	-1	0	320.389	0.869	50	10		DCCARM
O=C([O-])[C@H](Cc1c[nH]cn1)N1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O	ZINC000207254563	545936815	/nfs/dbraw/zinc/93/68/15/545936815.db2.gz	MFFPEGFJBWIOEQ-AXFHLTTASA-N	-1	0	323.736	0.923	50	10		DCCARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNCCCO)C1=O	ZINC000006009597	415132309	/nfs/dbraw/zinc/13/23/09/415132309.db2.gz	XENYPMVMQBCRJG-KTKRTIGZSA-N	-1	0	319.317	0.134	50	10		DCCARM
COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1C(=O)[O-]	ZINC000000036930	180674488	/nfs/dbraw/zinc/67/44/88/180674488.db2.gz	MRASLCYUYOMTTD-UHFFFAOYSA-N	-1	0	306.299	0.308	50	10		DCCARM
CCCCN1C(=O)[N-]C(=O)C(=CNCCCn2ccnc2)C1=O	ZINC000019995364	182175476	/nfs/dbraw/zinc/17/54/76/182175476.db2.gz	VJMDCTDASVPWRG-ZRDIBKRKSA-N	-1	0	319.365	0.625	50	10		DCCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNC3CC3)C2=O)c1	ZINC000005704049	415134208	/nfs/dbraw/zinc/13/42/08/415134208.db2.gz	RPFOPDNLDDKXDV-XYOKQWHBSA-N	-1	0	301.302	0.914	50	10		DCCARM
CCc1ccc(OCCCNC=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000019535452	395691040	/nfs/dbraw/zinc/69/10/40/395691040.db2.gz	JNWXKWYMMIWZKR-UHFFFAOYSA-N	-1	0	317.345	0.857	50	10		DCCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNCCCO	ZINC000006225716	415134466	/nfs/dbraw/zinc/13/44/66/415134466.db2.gz	QDCUPHKYWSSMEK-FLIBITNWSA-N	-1	0	323.736	0.779	50	10		DCCARM
CCCCN1C(=O)[N-]C(=O)/C(=C/c2cnc(N(C)C)nc2)C1=O	ZINC000004873347	660667262	/nfs/dbraw/zinc/66/72/62/660667262.db2.gz	WDSAAEGZIGMXKU-XFFZJAGNSA-N	-1	0	317.349	0.805	50	10		DCCARM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCC(O)CC2)cc1	ZINC000034926561	395718414	/nfs/dbraw/zinc/71/84/14/395718414.db2.gz	WNJZGTKLUVXTSX-UHFFFAOYSA-N	-1	0	322.361	0.570	50	10		DCCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCCO)C2=O)cc1C	ZINC000096454159	395753965	/nfs/dbraw/zinc/75/39/65/395753965.db2.gz	KXKVVDCXWBPHJI-UKTHLTGXSA-N	-1	0	317.345	0.742	50	10		DCCARM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@H]2CCCO2)cc1	ZINC000034926459	395718691	/nfs/dbraw/zinc/71/86/91/395718691.db2.gz	GOPGIXQBYMXCIQ-CQSZACIVSA-N	-1	0	322.361	0.881	50	10		DCCARM
CC1(C)OC(=O)C(=CN[C@@H](Cc2ccccc2)C(=O)[O-])C(=O)O1	ZINC000100716071	395763713	/nfs/dbraw/zinc/76/37/13/395763713.db2.gz	VRKUEZXBZOJRDB-LBPRGKRZSA-N	-1	0	319.313	0.992	50	10		DCCARM
CN1C(=O)[N-]C(=O)/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O	ZINC000000085111	415125174	/nfs/dbraw/zinc/12/51/74/415125174.db2.gz	YHRNDRHNBHVDRT-FARCUNLSSA-N	-1	0	319.229	0.415	50	10		DCCARM
Cc1ccc(N2C(=O)C(=CNNCCO)C(=O)[N-]C2=S)cc1	ZINC000008770501	292126707	/nfs/dbraw/zinc/12/67/07/292126707.db2.gz	FPHAKRIGLRRHDR-DHZHZOJOSA-N	-1	0	320.374	0.553	50	10		DCCARM
Nc1cc(S(=O)(=O)[O-])c(N)c2c1C(=O)c1ccccc1C2=O	ZINC000004301443	303494066	/nfs/dbraw/zinc/49/40/66/303494066.db2.gz	DZXNARMBWJFBGD-UHFFFAOYSA-N	-1	0	318.310	0.873	50	10		DCCARM
Nc1ccc(CCNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1	ZINC000888097577	661176768	/nfs/dbraw/zinc/17/67/68/661176768.db2.gz	SSGHVICUQSPCDD-LBPRGKRZSA-N	-1	0	313.379	0.195	50	10		DCCARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(OC)c1OC	ZINC000013774099	395689004	/nfs/dbraw/zinc/68/90/04/395689004.db2.gz	GRFVHWRIIWFVKS-CLFYSBASSA-N	-1	0	320.301	0.804	50	10		DCCARM
COCCNC=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O	ZINC000002454193	395681548	/nfs/dbraw/zinc/68/15/48/395681548.db2.gz	LKUGEDDKXGGPFA-FMIVXFBMSA-N	-1	0	303.318	0.385	50	10		DCCARM
CN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2[O-])C(=O)N(C)C1=O	ZINC000003109072	289790637	/nfs/dbraw/zinc/79/06/37/289790637.db2.gz	KURIIINSLPHNFD-UHFFFAOYSA-N	-1	0	305.246	0.734	50	10		DCCARM
O=C1[N-]C(=O)C(=CNCCSCc2cccs2)C(=O)N1	ZINC000025562027	331602246	/nfs/dbraw/zinc/60/22/46/331602246.db2.gz	XITWLNHXBFPZEL-UHFFFAOYSA-N	-1	0	311.388	0.821	50	10		DCCARM
O=C([O-])[C@H](Cc1c[nH]cn1)N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O	ZINC000004613358	181129947	/nfs/dbraw/zinc/12/99/47/181129947.db2.gz	MFFPEGFJBWIOEQ-DCAQKATOSA-N	-1	0	323.736	0.923	50	10		DCCARM
COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(C)C1=O	ZINC000000440847	658251981	/nfs/dbraw/zinc/25/19/81/658251981.db2.gz	YCWNLPXHYFQIFM-WEVVVXLNSA-N	-1	0	320.301	0.804	50	10		DCCARM
O=C([O-])COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1	ZINC000004723721	181142164	/nfs/dbraw/zinc/14/21/64/181142164.db2.gz	YYAVFPBHUPPMET-UHFFFAOYSA-N	-1	0	306.299	0.064	50	10		DCCARM
Cc1c2ccc(O)c(O)c2oc(=O)c1CC(=O)NCC(=O)[O-]	ZINC000002120023	395681214	/nfs/dbraw/zinc/68/12/14/395681214.db2.gz	AVGNISQQLUQZKV-UHFFFAOYSA-N	-1	0	307.258	0.256	50	10	biogenic	DCCARM
O=C1[N-]C(=O)C(=Cc2ccc(N3CCOCC3)c(F)c2)C(=O)N1	ZINC000004703689	415131113	/nfs/dbraw/zinc/13/11/13/415131113.db2.gz	WODUJYVURJGIBE-UHFFFAOYSA-N	-1	0	319.292	0.412	50	10		DCCARM
Cc1ccc(N2C(=O)C(=CNCCO)C(=O)[N-]C2=S)cc1C	ZINC000005927580	415134691	/nfs/dbraw/zinc/13/46/91/415134691.db2.gz	ZYVGFKCHSIPBBC-XYOKQWHBSA-N	-1	0	319.386	0.517	50	10		DCCARM
CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(O)c1	ZINC000006470082	181343350	/nfs/dbraw/zinc/34/33/50/181343350.db2.gz	JOPKRIRWHMUNBN-UHFFFAOYSA-N	-1	0	303.318	0.988	50	10		DCCARM
Cc1cc(=O)oc2cc(NC=C3C(=O)[N-]C(=O)NC3=O)ccc12	ZINC000006585475	181357817	/nfs/dbraw/zinc/35/78/17/181357817.db2.gz	SYDLCSYINLPLNJ-UHFFFAOYSA-N	-1	0	313.269	0.763	50	10		DCCARM
O=C1[N-]C(=O)C(=Cc2cc(O)ccc2Br)C(=O)N1	ZINC000002869685	296356306	/nfs/dbraw/zinc/35/63/06/296356306.db2.gz	GTEJUOVOXGZURZ-UHFFFAOYSA-N	-1	0	311.091	0.904	50	10		DCCARM
O=C1[N-]C(=O)C(=CNc2ccc([N+](=O)[O-])cc2Cl)C(=O)N1	ZINC000006862952	395683059	/nfs/dbraw/zinc/68/30/59/395683059.db2.gz	FYBNFMPWUQYVTR-UHFFFAOYSA-N	-1	0	310.653	0.910	50	10		DCCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3nn[nH]n3)C2=O)cc1	ZINC000004516951	395682519	/nfs/dbraw/zinc/68/25/19/395682519.db2.gz	UOWBYBCCUXTEGK-TWGQIWQCSA-N	-1	0	313.277	0.087	50	10		DCCARM
CN1C(=O)C(=CNc2ccc(C(=O)[O-])cc2)C(=O)NC1=S	ZINC000020235554	182199748	/nfs/dbraw/zinc/19/97/48/182199748.db2.gz	LTJKTXWJHMPWOF-TWGQIWQCSA-N	-1	0	305.315	0.554	50	10		DCCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCO)C2=O)cc1C	ZINC000100101836	395762615	/nfs/dbraw/zinc/76/26/15/395762615.db2.gz	WTIMYRZWECYQST-XYOKQWHBSA-N	-1	0	303.318	0.352	50	10		DCCARM
CCCCN1C(=O)[N-]C(=O)C(=CNCCCn2ccnc2)C1=O	ZINC000102448198	1176010266	/nfs/dbraw/zinc/01/02/66/1176010266.db2.gz	VJMDCTDASVPWRG-BENRWUELSA-N	-1	0	319.365	0.625	50	10		DCCARM
Nc1ccc(CC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cc1	ZINC000585138205	766293737	/nfs/dbraw/zinc/29/37/37/766293737.db2.gz	VNOGLTLCZNUMJZ-CYBMUJFWSA-N	-1	0	319.361	0.393	50	10		DCCARM
CCOC(=O)C1CCN(/C=C2/C(=O)[N-]C(=O)N(CC)C2=O)CC1	ZINC000022310832	182317310	/nfs/dbraw/zinc/31/73/10/182317310.db2.gz	NCYXPOOUOQGOMC-LUAWRHEFSA-N	-1	0	323.349	0.244	50	10		DCCARM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c(OC)c1OC	ZINC000000085927	395679813	/nfs/dbraw/zinc/67/98/13/395679813.db2.gz	GRFVHWRIIWFVKS-VQHVLOKHSA-N	-1	0	320.301	0.804	50	10		DCCARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCCCO)C1=O	ZINC000019595297	395690997	/nfs/dbraw/zinc/69/09/97/395690997.db2.gz	LFSHJQXTFDNHGH-LUAWRHEFSA-N	-1	0	303.318	0.434	50	10		DCCARM
CSCC[C@@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)[O-]	ZINC000100716069	395763709	/nfs/dbraw/zinc/76/37/09/395763709.db2.gz	JSLACYUFJWGBDY-MRVPVSSYSA-N	-1	0	303.336	0.502	50	10		DCCARM
COc1cc(C=C2C(=O)N(c3nnn[n-]3)N=C2C)ccc1O	ZINC000005961387	181301664	/nfs/dbraw/zinc/30/16/64/181301664.db2.gz	AGHDDYJNUGRNGZ-UITAMQMPSA-N	-1	0	300.278	0.720	50	10		DCCARM
COCCCN1C(=O)[N-]C(=O)C(=CNc2cc(C)on2)C1=O	ZINC000013629885	181870010	/nfs/dbraw/zinc/87/00/10/181870010.db2.gz	CFFOPGJJBQTXPR-CLFYSBASSA-N	-1	0	308.294	0.394	50	10		DCCARM
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cccc(O)c2O)O1	ZINC000408514166	239270596	/nfs/dbraw/zinc/27/05/96/239270596.db2.gz	UIZJKDIUSFUTHX-CABZTGNLSA-N	-1	0	308.334	0.463	50	10		DCCARM
O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O	ZINC000100037633	948009487	/nfs/dbraw/zinc/00/94/87/948009487.db2.gz	KJXSIXMJHKAJOD-LSDHHAIUSA-N	-1	0	320.253	0.892	50	10	endogenous,in-man	DCCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNNCCO)C2=O)c1	ZINC000017043230	395690623	/nfs/dbraw/zinc/69/06/23/395690623.db2.gz	BZTVCUXRMXJQPC-DHZHZOJOSA-N	-1	0	304.306	0.389	50	10		DCCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCO)C2=O)cc1C	ZINC000006131729	415132634	/nfs/dbraw/zinc/13/26/34/415132634.db2.gz	WTIMYRZWECYQST-WQLSENKSSA-N	-1	0	303.318	0.352	50	10		DCCARM
COCCN1C(=O)[N-]C(=O)/C(=C\c2ccc(O)c(OC)c2)C1=O	ZINC000005660775	181268851	/nfs/dbraw/zinc/26/88/51/181268851.db2.gz	RECHBHNAGCCNHT-JXMROGBWSA-N	-1	0	320.301	0.509	50	10		DCCARM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCOCC2)cc1	ZINC000034926552	182744524	/nfs/dbraw/zinc/74/45/24/182744524.db2.gz	SQJOXSRVXIFWNQ-UHFFFAOYSA-N	-1	0	308.334	0.445	50	10		DCCARM
O=C1[N-]C(=O)C(=Cc2ccc(N3CCSCC3)nc2)C(=O)N1	ZINC000005763745	415134723	/nfs/dbraw/zinc/13/47/23/415134723.db2.gz	MOPGREDCDPPKGU-UHFFFAOYSA-N	-1	0	318.358	0.384	50	10		DCCARM
COc1ccc(N2CCN(C(=O)COCC(=O)[O-])CC2)cc1	ZINC000000235453	395680031	/nfs/dbraw/zinc/68/00/31/395680031.db2.gz	PKNHABGNEITWLY-UHFFFAOYSA-N	-1	0	308.334	0.445	50	10		DCCARM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCN(C)CC2)cc1	ZINC000034926535	395718606	/nfs/dbraw/zinc/71/86/06/395718606.db2.gz	GAPYBWBEYPSKGF-UHFFFAOYSA-N	-1	0	321.377	0.360	50	10		DCCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCCO)C2=O)cc1C	ZINC000006131726	415134177	/nfs/dbraw/zinc/13/41/77/415134177.db2.gz	KXKVVDCXWBPHJI-LCYFTJDESA-N	-1	0	317.345	0.742	50	10		DCCARM
COc1cc(OC)c(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c(OC)c1	ZINC000000087025	685047382	/nfs/dbraw/zinc/04/73/82/685047382.db2.gz	GDNUUFQXFXQCRH-JXMROGBWSA-N	-1	0	320.301	0.804	50	10		DCCARM
O=C1[N-]C(=O)C(=Cc2c(Cl)nc3ccccn3c2=O)C(=O)N1	ZINC000003170434	275021612	/nfs/dbraw/zinc/02/16/12/275021612.db2.gz	HEQDBHWRLVYJCI-UHFFFAOYSA-N	-1	0	318.676	0.097	50	10		DCCARM
Cc1cc(N2CCOCC2)ccc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000002832736	415125158	/nfs/dbraw/zinc/12/51/58/415125158.db2.gz	PWGODLDGZGXWLL-UHFFFAOYSA-N	-1	0	315.329	0.581	50	10		DCCARM
COCCNC=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000006228950	415133190	/nfs/dbraw/zinc/13/31/90/415133190.db2.gz	YJSQGIYWNLUULS-DHZHZOJOSA-N	-1	0	307.281	0.528	50	10		DCCARM
CC1(C)OC(=O)C(=CN[C@H](Cc2ccccc2)C(=O)[O-])C(=O)O1	ZINC000100716073	395763572	/nfs/dbraw/zinc/76/35/72/395763572.db2.gz	VRKUEZXBZOJRDB-GFCCVEGCSA-N	-1	0	319.313	0.992	50	10		DCCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNNCCO	ZINC000006926382	415134497	/nfs/dbraw/zinc/13/44/97/415134497.db2.gz	RFVFYCXJQMFEOE-JXMROGBWSA-N	-1	0	324.724	0.098	50	10		DCCARM
Nc1c(O)cc(S(=O)(=O)[O-])c2cc(S(N)(=O)=O)ccc12	ZINC000022590989	303492612	/nfs/dbraw/zinc/49/26/12/303492612.db2.gz	XYBVIPSETKJSHZ-UHFFFAOYSA-N	-1	0	318.332	0.022	50	10		DCCARM
CN1C(=O)C(=CNc2ccc(C(=O)[O-])cc2)C(=O)N(C)C1=O	ZINC000019596449	182132798	/nfs/dbraw/zinc/13/27/98/182132798.db2.gz	GKQUYHZMUPVHOZ-UHFFFAOYSA-N	-1	0	303.274	0.731	50	10		DCCARM
CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(CCCO)C2=O)cc1	ZINC000003878348	181051903	/nfs/dbraw/zinc/05/19/03/181051903.db2.gz	PQHOJJFIDWYCPY-RAXLEYEMSA-N	-1	0	317.345	0.597	50	10		DCCARM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(C)C2=O)cc1	ZINC000005976268	181302886	/nfs/dbraw/zinc/30/28/86/181302886.db2.gz	HMJJADXPTYPJPZ-YRNVUSSQSA-N	-1	0	302.290	0.649	50	10		DCCARM
COc1ccc(CCNC=C2C(=O)[N-]C(=O)N(C)C2=O)cc1	ZINC000006132265	181315737	/nfs/dbraw/zinc/31/57/37/181315737.db2.gz	LLXMTVHBJVZQSG-FMIVXFBMSA-N	-1	0	303.318	0.419	50	10		DCCARM
N=C(NC=C1C(=O)[N-]C(=O)NC1=O)Nc1nc2ccccc2o1	ZINC000002319595	395681466	/nfs/dbraw/zinc/68/14/66/395681466.db2.gz	NPZFJOGBFJARKL-UHFFFAOYSA-N	-1	0	314.261	0.014	50	10		DCCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3nn[nH]n3)C2=O)c1	ZINC000104157897	415622724	/nfs/dbraw/zinc/62/27/24/415622724.db2.gz	HBRRIFDOZFGIDQ-RMKNXTFCSA-N	-1	0	313.277	0.087	50	10		DCCARM
O=C1[N-]C(=O)C(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1	ZINC000017045631	280277196	/nfs/dbraw/zinc/27/71/96/280277196.db2.gz	FURBPYAQTGCYBD-UHFFFAOYSA-N	-1	0	305.202	0.913	50	10		DCCARM
CN1C(=O)[N-]C(=O)C(=CNCCc2c[nH]c3ccccc23)C1=O	ZINC000022780710	657999691	/nfs/dbraw/zinc/99/96/91/657999691.db2.gz	BFVDUVCRBGEZNS-XFXZXTDPSA-N	-1	0	312.329	0.892	50	10		DCCARM
O=C([O-])[C@H](Cc1c[nH]cn1)N1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O	ZINC000195816588	748874873	/nfs/dbraw/zinc/87/48/73/748874873.db2.gz	MFFPEGFJBWIOEQ-MXWKQRLJSA-N	-1	0	323.736	0.923	50	10		DCCARM
COc1ccc(CN2C(=O)[N-]C(=O)C(=S(C)C)C2=O)cc1	ZINC000012436561	395687584	/nfs/dbraw/zinc/68/75/84/395687584.db2.gz	BJDQXXMRXTTYEA-UHFFFAOYSA-N	-1	0	308.359	0.975	50	10		DCCARM
O=C(NC1CC1)c1ccccc1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000008515276	395684599	/nfs/dbraw/zinc/68/45/99/395684599.db2.gz	DKHSDAVJOOTLAH-UHFFFAOYSA-N	-1	0	314.301	0.241	50	10		DCCARM
O=C1[N-]C(=O)C(=Cc2ccc(Sc3ncccn3)o2)C(=O)N1	ZINC000001408108	395680785	/nfs/dbraw/zinc/68/07/85/395680785.db2.gz	RJFBMRYGESIINB-UHFFFAOYSA-N	-1	0	316.298	0.970	50	10		DCCARM
COC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(C)C2=O)cc1	ZINC000006974150	415136648	/nfs/dbraw/zinc/13/66/48/415136648.db2.gz	XVTDRIHFPILSKA-YFHOEESVSA-N	-1	0	303.274	0.477	50	10		DCCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNn1cnnc1	ZINC000004739860	181145068	/nfs/dbraw/zinc/14/50/68/181145068.db2.gz	LQWFRMIDPCEAPE-WTKPLQERSA-N	-1	0	302.250	0.417	50	10		DCCARM
Nc1ccc(CC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cc1	ZINC000585138206	766293784	/nfs/dbraw/zinc/29/37/84/766293784.db2.gz	VNOGLTLCZNUMJZ-ZDUSSCGKSA-N	-1	0	319.361	0.393	50	10		DCCARM
Cc1ccc(N2C(=O)C(=CNCCO)C(=O)[N-]C2=S)cc1C	ZINC000101038372	395763883	/nfs/dbraw/zinc/76/38/83/395763883.db2.gz	ZYVGFKCHSIPBBC-WQLSENKSSA-N	-1	0	319.386	0.517	50	10		DCCARM
CN1C(=O)C(=Cc2ccc(OCC(=O)[O-])cc2)C(=O)N(C)C1=O	ZINC000001514471	180870752	/nfs/dbraw/zinc/87/07/52/180870752.db2.gz	YBWHBMUBFDTESR-UHFFFAOYSA-N	-1	0	318.285	0.584	50	10		DCCARM
CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cccc(O)c2O)O1	ZINC000408514167	239271990	/nfs/dbraw/zinc/27/19/90/239271990.db2.gz	UIZJKDIUSFUTHX-JOYOIKCWSA-N	-1	0	308.334	0.463	50	10		DCCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc(OC)c1O	ZINC000009108775	395685113	/nfs/dbraw/zinc/68/51/13/395685113.db2.gz	ZXIZRWAJYONXPD-XBXARRHUSA-N	-1	0	306.274	0.501	50	10		DCCARM
CCC(=O)Oc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000005175575	181212829	/nfs/dbraw/zinc/21/28/29/181212829.db2.gz	RCIICFNIDVBOQF-UHFFFAOYSA-N	-1	0	318.285	0.760	50	10		DCCARM
COc1cc(NC=C2C(=O)[N-]C(=O)NC2=O)cc(OC)c1OC	ZINC000006603431	181359858	/nfs/dbraw/zinc/35/98/58/181359858.db2.gz	QBXPBAIDGMBRJY-UHFFFAOYSA-N	-1	0	321.289	0.374	50	10		DCCARM
O=C1[N-]C(=O)C(=CNc2ccnn2Cc2ccccc2)C(=O)N1	ZINC000008517795	395684630	/nfs/dbraw/zinc/68/46/30/395684630.db2.gz	JFAJWVYDCZBABX-UHFFFAOYSA-N	-1	0	311.301	0.593	50	10		DCCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNC3CC3)C2=O)c1	ZINC000101067306	395764251	/nfs/dbraw/zinc/76/42/51/395764251.db2.gz	RPFOPDNLDDKXDV-WQLSENKSSA-N	-1	0	301.302	0.914	50	10		DCCARM
O=C([O-])CN1C(=O)C(=C2SC(=S)NC2=O)c2ccccc21	ZINC000001202867	304066576	/nfs/dbraw/zinc/06/65/76/304066576.db2.gz	LGKPLVYDSREBLT-KTKRTIGZSA-N	-1	0	320.351	0.977	50	10		DCCARM
CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000008974700	395684989	/nfs/dbraw/zinc/68/49/89/395684989.db2.gz	LCMKTSXOYHHVEQ-UHFFFAOYSA-N	-1	0	303.274	0.525	50	10		DCCARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNCCO	ZINC000019293450	395690974	/nfs/dbraw/zinc/69/09/74/395690974.db2.gz	LCQQUAKFBJXSHQ-YFHOEESVSA-N	-1	0	309.709	0.389	50	10		DCCARM
COc1ccc(N2CCN(c3nc(=O)c(C)n[n-]3)CC2)cc1	ZINC000009302573	415144878	/nfs/dbraw/zinc/14/48/78/415144878.db2.gz	TUBYBMYFMWYTMC-UHFFFAOYSA-N	-1	0	301.350	0.809	50	10		DCCARM
CN1C(=O)C(=Cc2cccc(OCC(=O)[O-])c2)C(=O)N(C)C1=O	ZINC000004655868	181132883	/nfs/dbraw/zinc/13/28/83/181132883.db2.gz	KQLPXLDVNQRNAY-UHFFFAOYSA-N	-1	0	318.285	0.584	50	10		DCCARM
CN1C(=O)C(=Cc2ccccc2OCC(=O)[O-])C(=O)N(C)C1=O	ZINC000002874324	395682081	/nfs/dbraw/zinc/68/20/81/395682081.db2.gz	JNAVOXUPTPTDIL-UHFFFAOYSA-N	-1	0	318.285	0.584	50	10		DCCARM
CN1C(=O)C(=Cc2ccc([O-])c([N+](=O)[O-])c2)C(=O)N(C)C1=S	ZINC000036067657	395721637	/nfs/dbraw/zinc/72/16/37/395721637.db2.gz	PTZMMCVVWZMWNH-UHFFFAOYSA-N	-1	0	321.314	0.899	50	10		DCCARM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@@H]2CCCO2)cc1	ZINC000034926458	182744651	/nfs/dbraw/zinc/74/46/51/182744651.db2.gz	GOPGIXQBYMXCIQ-AWEZNQCLSA-N	-1	0	322.361	0.881	50	10		DCCARM
CN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)C(=O)NC1=S	ZINC000000567366	395680553	/nfs/dbraw/zinc/68/05/53/395680553.db2.gz	KMCJHANFXNMYMZ-UXBLZVDNSA-N	-1	0	320.326	0.407	50	10		DCCARM
CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2[O-])C(=O)N(C)C1=O	ZINC000013549064	395688666	/nfs/dbraw/zinc/68/86/66/395688666.db2.gz	XRZUNITVDJCPHZ-UHFFFAOYSA-N	-1	0	305.246	0.734	50	10		DCCARM
CCOC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000006206811	181319063	/nfs/dbraw/zinc/31/90/63/181319063.db2.gz	IAZWNLVESGBVKJ-UHFFFAOYSA-N	-1	0	303.274	0.525	50	10		DCCARM
Cn1nnnc1SCC(=O)NCc1cccc([N+](=O)[O-])c1[O-]	ZINC000012427837	395687600	/nfs/dbraw/zinc/68/76/00/395687600.db2.gz	QYULGQNEFMVFNW-UHFFFAOYSA-N	-1	0	324.322	0.232	50	10		DCCARM
COc1cc(OC)c(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(OC)c1	ZINC000015218995	395689969	/nfs/dbraw/zinc/68/99/69/395689969.db2.gz	GDNUUFQXFXQCRH-YFHOEESVSA-N	-1	0	320.301	0.804	50	10		DCCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNn3cnnc3)C2=O)c1	ZINC000100544953	395763198	/nfs/dbraw/zinc/76/31/98/395763198.db2.gz	BBWHAWFLVNFEPH-WDZFZDKYSA-N	-1	0	312.289	0.297	50	10		DCCARM
O=C([O-])[C@H](Cc1c[nH]cn1)N1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O	ZINC000018323263	304171834	/nfs/dbraw/zinc/17/18/34/304171834.db2.gz	MFFPEGFJBWIOEQ-VWYCJHECSA-N	-1	0	323.736	0.923	50	10		DCCARM
CN1C(=O)C(=CNc2cccc(C(=O)[O-])c2)C(=O)NC1=S	ZINC000016265732	415151236	/nfs/dbraw/zinc/15/12/36/415151236.db2.gz	RDJFRZCSOMGMHF-TWGQIWQCSA-N	-1	0	305.315	0.554	50	10		DCCARM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=CNN1CCOCC1	ZINC000008768613	395684881	/nfs/dbraw/zinc/68/48/81/395684881.db2.gz	FFYHEQNGWWAMIS-ZRDIBKRKSA-N	-1	0	322.365	0.959	50	10		DCCARM
Cn1nnnc1SCC(=O)NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000035898411	395721809	/nfs/dbraw/zinc/72/18/09/395721809.db2.gz	MIDDVTRLGAUQFF-UHFFFAOYSA-N	-1	0	324.322	0.232	50	10		DCCARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)cc(OC)c1O	ZINC000013765716	181892358	/nfs/dbraw/zinc/89/23/58/181892358.db2.gz	ZXIZRWAJYONXPD-YWEYNIOJSA-N	-1	0	306.274	0.501	50	10		DCCARM
O=C([O-])CCN1C(=O)/C(=C/N2CCOCC2)SC1=S	ZINC000032051806	395709086	/nfs/dbraw/zinc/70/90/86/395709086.db2.gz	CRCGBJDTAOVPEC-FPLPWBNLSA-N	-1	0	302.377	0.495	50	10		DCCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNCCCO	ZINC000100384371	193799306	/nfs/dbraw/zinc/79/93/06/193799306.db2.gz	IUYCTACRDXLMDU-XFXZXTDPSA-N	-1	0	303.318	0.121	50	10		DCCARM
COc1cc(OC)c(OC)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000002981441	395682029	/nfs/dbraw/zinc/68/20/29/395682029.db2.gz	SFSUFTKMTVJHSA-UHFFFAOYSA-N	-1	0	306.274	0.462	50	10		DCCARM