smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC(=O)NCC[NH+](C)C	ZINC000004222256	291449816	/nfs/dbraw/zinc/44/98/16/291449816.db2.gz	LGMRVRARSOSNAC-LUAASJNPSA-N	1	0	452.621	1.585	10	0		JDAERO
CC[NH+](CC)CCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)c3c(OC)cccc3OC)[C@H]2SC1(C)C	ZINC000004214369	194384951	/nfs/dbraw/zinc/38/49/51/194384951.db2.gz	HBOSVRMWGCNXAB-LVCYWYKZSA-N	1	0	479.599	1.750	10	0	in-man	JDAERO
OCC[NH+]1CCN(CN2Cc3sc(-c4cccc(O)c4)cc3N(N3CCOCC3)C2)CC1	ZINC000095937382	129941925	/nfs/dbraw/zinc/94/19/25/129941925.db2.gz	GQFVMRMNSACZRF-UHFFFAOYSA-N	1	0	459.616	1.515	10	0		JDAERO
CN(CC[NH+](C)C)[C@H]1[C@@H](CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2)O[C@@H](CO)[C@H]1O	ZINC000020464684	521748096	/nfs/dbraw/zinc/74/80/96/521748096.db2.gz	WFFKBXNWXUDNKY-WSOYEBOPSA-N	1	0	463.569	1.950	10	0		JDAERO
COC(=O)c1c(OCC[NH+]2CCCCC2)cc(=O)n2c1CCN(C(=O)c1cc(C)nc(C)n1)CC2	ZINC000014988676	521776796	/nfs/dbraw/zinc/77/67/96/521776796.db2.gz	XKTKXNXRSTVYSG-UHFFFAOYSA-N	1	0	483.569	1.605	10	0		JDAERO
C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3cccnc3)CC2)c1)C[C@@H]1CCC(=O)N1	ZINC000014968380	523318705	/nfs/dbraw/zinc/31/87/05/523318705.db2.gz	JAKJNBCDUKYLQW-QFIPXVFZSA-N	1	0	451.571	1.629	10	0		JDAERO
Cc1cc2c(cccc2OC[C@H](O)C[NH2+][C@@H](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]1	ZINC000001846190	553995141	/nfs/dbraw/zinc/99/51/41/553995141.db2.gz	HITMZSXZYGLDCV-GOEBONIOSA-N	1	0	454.531	1.032	10	0	in-man	JDAERO
O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1noc2ncnc(N3CCOCC3)c21	ZINC000009687961	555415512	/nfs/dbraw/zinc/41/55/12/555415512.db2.gz	OQOPKNMFOVZBPM-UHFFFAOYSA-N	1	0	451.531	1.397	10	0		JDAERO
CC[NH+]1CCN(CCNS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)CC1	ZINC000020114102	555651867	/nfs/dbraw/zinc/65/18/67/555651867.db2.gz	SIDUGDLBTAPNRS-UHFFFAOYSA-N	1	0	485.448	1.664	10	0		JDAERO
CCCn1c2[nH]c(-c3ccc(S(=O)(=O)N(C)CC[NH+](C)C)cc3)nc2c(=O)n(CCC)c1=O	ZINC000012405386	562959966	/nfs/dbraw/zinc/95/99/66/562959966.db2.gz	RWNRBPFXDDCJTH-UHFFFAOYSA-N	1	0	476.603	1.555	10	0	in-vivo	JDAERO
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)CC1	ZINC000072329654	569702573	/nfs/dbraw/zinc/70/25/73/569702573.db2.gz	MWIPTITXKSUHAE-UHFFFAOYSA-N	1	0	493.568	1.396	10	0		JDAERO
C/C=C/c1cc2n(c1)C(=O)c1cc(O[C@@H]3O[C@H](C)[C@@H]([NH2+]C)[C@@](C)(O)[C@@H]3O)c(C)c(O)c1N[C@@H]2O	ZINC000004217448	194385132	/nfs/dbraw/zinc/38/51/32/194385132.db2.gz	NRGCXZURXQZUDC-KZKOILSESA-N	1	0	473.526	1.464	10	0		JDAERO
O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1noc2ncnc(N3CCOCC3)c21	ZINC000020993641	195263097	/nfs/dbraw/zinc/26/30/97/195263097.db2.gz	LOLIAIRZWVFQSD-UHFFFAOYSA-N	1	0	469.521	1.536	10	0		JDAERO
CCC[NH+]1CCN(CCCNC(=O)Cn2nc(CC)n3c(cc4c3cccc4OC)c2=O)CC1	ZINC000020384622	519857300	/nfs/dbraw/zinc/85/73/00/519857300.db2.gz	ILTGWJILKKFRFK-UHFFFAOYSA-N	1	0	468.602	1.754	10	0		JDAERO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1CN(C(=O)Cc1cccs1)CC2	ZINC000014743702	521657483	/nfs/dbraw/zinc/65/74/83/521657483.db2.gz	XDODDZHKIRKFCY-KRWDZBQOSA-N	1	0	459.616	1.933	10	0		JDAERO
COc1ccc(CCC(=O)N(CCC[NH+]2CCCC2)CCS(=O)(=O)N2CCNCC2)cc1	ZINC000046141045	523917279	/nfs/dbraw/zinc/91/72/79/523917279.db2.gz	RBMWKJOYOYOMDQ-UHFFFAOYSA-N	1	0	466.648	1.177	10	0		JDAERO
O=C(NC[C@@H]1CCCO1)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CC[NH2+]CC1	ZINC000035513939	526520111	/nfs/dbraw/zinc/52/01/11/526520111.db2.gz	BYYVIVRDQGBPEI-KRWDZBQOSA-N	1	0	463.535	1.340	10	0		JDAERO
Cc1cc2c(cccc2OC[C@H](O)C[NH2+][C@H](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]1	ZINC000001846194	553995042	/nfs/dbraw/zinc/99/50/42/553995042.db2.gz	HITMZSXZYGLDCV-GDBMZVCRSA-N	1	0	454.531	1.032	10	0	in-man	JDAERO
CCCn1nnc2cc(S(=O)(=O)N3CCC[C@@H]3C(=O)NCC[NH+]3CCCCCC3)ccc21	ZINC000015863982	556038647	/nfs/dbraw/zinc/03/86/47/556038647.db2.gz	VRMYUDKBSYBTGL-OAQYLSRUSA-N	1	0	462.620	1.987	10	0		JDAERO
CNC(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cc(C)ccc2C)c1	ZINC000015864319	556039381	/nfs/dbraw/zinc/03/93/81/556039381.db2.gz	SKJGQAFMQHGIJY-UHFFFAOYSA-N	1	0	473.599	1.332	10	0		JDAERO
Cc1ccc(S(=O)(=O)N(CC[N@H+]2CCCC[C@@H]2C)CCS(=O)(=O)N2CCNCC2)cc1	ZINC000015869002	556048077	/nfs/dbraw/zinc/04/80/77/556048077.db2.gz	QJNSSBOPVLTGHG-FQEVSTJZSA-N	1	0	472.677	1.095	10	0		JDAERO
COC(=O)C1CCN(C(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ccccc3)[N@@H+]2C)CC1	ZINC000035442339	560079459	/nfs/dbraw/zinc/07/94/59/560079459.db2.gz	XTBFVTURZGXKLG-XJUOHMSHSA-N	1	0	456.587	1.252	10	0	biogenic	JDAERO
COc1ccc(-c2cn(C[C@H]3C[C@H]4CC[N@@H+]3C[C@@H]4C(=O)N3CCC(C(N)=O)CC3)nn2)cc1	ZINC000008299716	560108203	/nfs/dbraw/zinc/10/82/03/560108203.db2.gz	RBXZLCSMVIMBQP-SBHAEUEKSA-N	1	0	452.559	1.388	10	0	biogenic	JDAERO
CNS(=O)(=O)Cc1ccc2[nH]cc(CCC[NH+]3CCN(c4ncncc4OC)CC3)c2c1	ZINC000000600434	562918418	/nfs/dbraw/zinc/91/84/18/562918418.db2.gz	WRZVGHXUPBWIOO-UHFFFAOYSA-N	1	0	458.588	1.771	10	0	in-man	JDAERO
CC(C)(C)[NH2+]C[C@@H](COc1nsnc1N1CCOCC1)Oc1nsnc1N1CCOCC1	ZINC000077311484	569705864	/nfs/dbraw/zinc/70/58/64/569705864.db2.gz	SUZPUXCABRWWIA-AWEZNQCLSA-N	1	0	485.636	1.277	10	0	in-vitro	JDAERO
COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCC[NH+](C)C)N3C(=O)c2ccccc2)c1	ZINC000096274393	569739916	/nfs/dbraw/zinc/73/99/16/569739916.db2.gz	QETNAWVMUGAOST-HSZRJFAPSA-N	1	0	494.592	1.847	10	0		JDAERO
Cc1ccc(CN2CCCn3nc(C(=O)NCC(=O)NCC[NH+]4CCCCC4)cc3C2=O)cc1	ZINC000037576503	569796124	/nfs/dbraw/zinc/79/61/24/569796124.db2.gz	BZUJOGOKOYIJOM-UHFFFAOYSA-N	1	0	466.586	1.570	10	0		JDAERO
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1CN(C(=O)Cc1cccs1)CC2	ZINC000014743701	521639533	/nfs/dbraw/zinc/63/95/33/521639533.db2.gz	XDODDZHKIRKFCY-QGZVFWFLSA-N	1	0	459.616	1.933	10	0		JDAERO
Cc1cc2c(cccc2OC[C@@H](O)C[NH2+][C@H](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]1	ZINC000001846195	553995056	/nfs/dbraw/zinc/99/50/56/553995056.db2.gz	HITMZSXZYGLDCV-ZBFHGGJFSA-N	1	0	454.531	1.032	10	0	in-man	JDAERO
O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000011873698	555847874	/nfs/dbraw/zinc/84/78/74/555847874.db2.gz	IKUKQTPPLGRUOU-FQEVSTJZSA-N	1	0	450.530	1.226	10	0		JDAERO
Cc1ccc(S(=O)(=O)N(CC[N@H+]2CCCC[C@H]2C)CCS(=O)(=O)N2CCNCC2)cc1	ZINC000015869001	556047853	/nfs/dbraw/zinc/04/78/53/556047853.db2.gz	QJNSSBOPVLTGHG-HXUWFJFHSA-N	1	0	472.677	1.095	10	0		JDAERO
C[N@@H+]1[C@@H]2CCN(Cc3cccc(OC(F)(F)F)c3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCC(O)CC1	ZINC000035442573	560079848	/nfs/dbraw/zinc/07/98/48/560079848.db2.gz	QKLKNRUIDIOUMG-WEYGHZABSA-N	1	0	498.546	1.722	10	0	biogenic	JDAERO
CCC[NH+]1CCN(CCCNC(=O)Cn2nc(C)n3c(cc4cc(OC)ccc43)c2=O)CC1	ZINC000020384643	519857358	/nfs/dbraw/zinc/85/73/58/519857358.db2.gz	XELQCWHOMJDSDP-UHFFFAOYSA-N	1	0	454.575	1.500	10	0		JDAERO
CCC[NH+]1CCN(CCCNC(=O)Cn2nc(C)n3c(cc4c3cccc4OC)c2=O)CC1	ZINC000020384563	519857543	/nfs/dbraw/zinc/85/75/43/519857543.db2.gz	USERFDFFRZOODM-UHFFFAOYSA-N	1	0	454.575	1.500	10	0		JDAERO
C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3cccnc3)CC2)c1)C[C@H]1CCC(=O)N1	ZINC000014968385	523319172	/nfs/dbraw/zinc/31/91/72/523319172.db2.gz	JAKJNBCDUKYLQW-JOCHJYFZSA-N	1	0	451.571	1.629	10	0		JDAERO
COCCCNC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CC[NH2+]CC1	ZINC000021704784	523364630	/nfs/dbraw/zinc/36/46/30/523364630.db2.gz	ICJDSUQZQDTNBW-UHFFFAOYSA-N	1	0	451.524	1.197	10	0		JDAERO
O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@H](C(=O)NCC[NH+]3CCCC3)C2)s1	ZINC000033263453	527399983	/nfs/dbraw/zinc/39/99/83/527399983.db2.gz	YKFUNYQRDIYTFJ-INIZCTEOSA-N	1	0	456.572	1.855	10	0		JDAERO
CC[N@@H+]1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@@]5(C[C@@H]6OC)OCO[C@]5([C@@H](O)[C@@H]32)[C@@H]14	ZINC000030726617	560090866	/nfs/dbraw/zinc/09/08/66/560090866.db2.gz	XTLROSDJDZHIIK-FQCWPTJPSA-N	1	0	479.614	1.291	10	0	biogenic,in-vitro	JDAERO
C[C@@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C1C[C@@H]2CCC[C@H](C1)C2	ZINC000071788332	569698328	/nfs/dbraw/zinc/69/83/28/569698328.db2.gz	KGTQFBSHSNHPOB-XFAXLRKHSA-N	1	0	498.672	1.800	10	0		JDAERO
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCOCC2)on1)N1CCN(c2ccccn2)CC1	ZINC000012482385	291464105	/nfs/dbraw/zinc/46/41/05/291464105.db2.gz	DGHDDPDUERVFHL-SFTDATJTSA-N	1	0	468.602	1.409	10	0		JDAERO
O=C(C[C@@H]1O[C@H](C[NH2+]Cc2cccc(Cl)c2)[C@@H](O)[C@H]1O)N1CCN(c2ccccn2)CC1	ZINC000015675301	291464107	/nfs/dbraw/zinc/46/41/07/291464107.db2.gz	PWJWVOHZHNVSLR-JFSTXAPLSA-N	1	0	460.962	1.053	10	0	biogenic	JDAERO
CC(C)(C)[NH2+]C[C@H](COc1nsnc1N1CCOCC1)Oc1nsnc1N1CCOCC1	ZINC000077311481	518761706	/nfs/dbraw/zinc/76/17/06/518761706.db2.gz	SUZPUXCABRWWIA-CQSZACIVSA-N	1	0	485.636	1.277	10	0	in-vitro	JDAERO
Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)N1CC[NH+](C2CCCC2)CC1	ZINC000020487681	527563540	/nfs/dbraw/zinc/56/35/40/527563540.db2.gz	XCTKMZTXNJOIDU-UHFFFAOYSA-N	1	0	460.398	1.182	10	0		JDAERO
Cc1cc2c(cccc2OC[C@@H](O)C[NH2+][C@@H](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]1	ZINC000001846193	553995064	/nfs/dbraw/zinc/99/50/64/553995064.db2.gz	HITMZSXZYGLDCV-HOCLYGCPSA-N	1	0	454.531	1.032	10	0	in-man	JDAERO
O=C1NC[C@H](O)C[N@H+](Cc2cc3ccccc3o2)C[C@@]2(C[C@@H](O)[C@@H](O)C2)COc2ccccc21	ZINC000108317906	569859438	/nfs/dbraw/zinc/85/94/38/569859438.db2.gz	FFZZIPHEPZXJAV-RPJCSTDNSA-N	1	0	466.534	1.920	10	0		JDAERO
COc1ccccc1N1CC[NH+](CCCNC(=O)c2noc3ncnc(N4CCOCC4)c23)CC1	ZINC000009687962	194892744	/nfs/dbraw/zinc/89/27/44/194892744.db2.gz	GXOZWOQWIXCAHZ-UHFFFAOYSA-N	1	0	481.557	1.405	10	0		JDAERO
O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@@H](C(=O)NCC[NH+]3CCCC3)C2)s1	ZINC000033263452	527399874	/nfs/dbraw/zinc/39/98/74/527399874.db2.gz	YKFUNYQRDIYTFJ-MRXNPFEDSA-N	1	0	456.572	1.855	10	0		JDAERO
COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCC[NH+](C)C)N3C(=O)c2ccccc2)c1	ZINC000096274392	537080485	/nfs/dbraw/zinc/08/04/85/537080485.db2.gz	QETNAWVMUGAOST-QHCPKHFHSA-N	1	0	494.592	1.847	10	0		JDAERO
CCC1(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C[C@@H]2CCC[C@@H](C2)C1	ZINC000071788333	569698384	/nfs/dbraw/zinc/69/83/84/569698384.db2.gz	APGWXFWWRPLCHH-MIBKDRKUSA-N	1	0	498.672	1.944	10	0		JDAERO
COc1cc(NC2=N[C@@H]3[C@H](S2)[C@@H](C(=O)NCC[NH+]2CCCCC2)C[C@@H](O)[C@@H]3O)cc(OC)c1	ZINC000008636529	522735627	/nfs/dbraw/zinc/73/56/27/522735627.db2.gz	YSUMOZGQHBAZKP-HGJUEJDCSA-N	1	0	478.615	1.300	10	0	biogenic	JDAERO
O=C(NC[C@H]1CCCO1)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CC[NH2+]CC1	ZINC000035513942	526600679	/nfs/dbraw/zinc/60/06/79/526600679.db2.gz	BYYVIVRDQGBPEI-QGZVFWFLSA-N	1	0	463.535	1.340	10	0		JDAERO
NC(=O)c1sc2cc(N3CCC([NH3+])CC3)cc(OCCNS(=O)(=O)c3ccccc3)c2c1N	ZINC000034470949	527105428	/nfs/dbraw/zinc/10/54/28/527105428.db2.gz	NESKXXIOEBZJLN-UHFFFAOYSA-N	1	0	489.623	1.867	10	0		JDAERO
CCCn1nnc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)NCC[NH+]3CCCCCC3)ccc21	ZINC000015863983	556038655	/nfs/dbraw/zinc/03/86/55/556038655.db2.gz	VRMYUDKBSYBTGL-NRFANRHFSA-N	1	0	462.620	1.987	10	0		JDAERO
COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(OC)cc2)[N@@H+]1C	ZINC000035442553	560079808	/nfs/dbraw/zinc/07/98/08/560079808.db2.gz	OSBHHEUDGDTSMY-IKJKNFHUSA-N	1	0	458.603	1.486	10	0	biogenic	JDAERO
CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O	ZINC000001554197	562921339	/nfs/dbraw/zinc/92/13/39/562921339.db2.gz	UJVDJAPJQWZRFR-DHIUTWEWSA-N	1	0	474.565	1.845	10	0	world	JDAERO
CC[NH+](CC)CCNC(=O)CN(C)C(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O	ZINC000037578847	520669841	/nfs/dbraw/zinc/66/98/41/520669841.db2.gz	NGBCYOKDOBIYBS-UHFFFAOYSA-N	1	0	468.602	1.768	10	0		JDAERO
COc1cccc(Cn2c(=O)c(C(=O)NCC[NH+](C)C)nn(-c3ccc(C(F)(F)F)cc3)c2=O)c1	ZINC000036087656	526106664	/nfs/dbraw/zinc/10/66/64/526106664.db2.gz	FHQQTASVJNJYMI-UHFFFAOYSA-N	1	0	491.470	1.761	10	0		JDAERO
O=C(C1CC[NH2+]CC1)N1CCN2C(=O)c3cc(-c4ccc5c(c4)OCO5)ccc3NC(=O)[C@H]2C1	ZINC000004235966	526308359	/nfs/dbraw/zinc/30/83/59/526308359.db2.gz	HWEFQCIXMMBKRT-HXUWFJFHSA-N	1	0	462.506	1.687	10	0	biogenic	JDAERO
O=S(=O)(c1cccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)c1)N1CCOCC1	ZINC000004374337	527286262	/nfs/dbraw/zinc/28/62/62/527286262.db2.gz	WVJLYVIQGLXBBY-UHFFFAOYSA-N	1	0	457.618	1.347	10	0		JDAERO
O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F)N1CCC(C[NH+]2CCOCC2)CC1	ZINC000011873699	555847863	/nfs/dbraw/zinc/84/78/63/555847863.db2.gz	IKUKQTPPLGRUOU-HXUWFJFHSA-N	1	0	450.530	1.226	10	0		JDAERO
Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC[NH+](C)C)n(C)c2)n(C)c1	ZINC000028766150	563078702	/nfs/dbraw/zinc/07/87/02/563078702.db2.gz	LXGMHFZVTHZXHB-UHFFFAOYSA-N	1	0	496.572	1.457	10	0		JDAERO
CCC[NH+]1CCN(C(=O)CN2CCN(C(=O)Nc3ccc(Br)cc3)CC2=O)CC1	ZINC000064606209	569622995	/nfs/dbraw/zinc/62/29/95/569622995.db2.gz	BEFNTHZYDJJACR-UHFFFAOYSA-N	1	0	466.380	1.679	10	0		JDAERO
C[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C1C[C@@H]2CCC[C@H](C1)C2	ZINC000071788331	569698399	/nfs/dbraw/zinc/69/83/99/569698399.db2.gz	KGTQFBSHSNHPOB-XMJUESPCSA-N	1	0	498.672	1.800	10	0		JDAERO
COc1cc(C(=O)O[C@H]2C[C@]34CC[NH2+][C@@]35C[C@H](O[C@@]5(OC)[C@H]2O)c2cc3c(cc24)OCO3)ccc1O	ZINC000096023795	569731980	/nfs/dbraw/zinc/73/19/80/569731980.db2.gz	BTDVYOKUHWMJJD-UWBSNJKQSA-N	1	0	497.500	1.907	10	0		JDAERO