smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(CC4CCCCC4)C3)C2=O)cc1	ZINC000225395630	291457976	/nfs/dbraw/zinc/45/79/76/291457976.db2.gz	VLXLXXPVJPWEKJ-RTWAWAEBSA-N	0	1	455.555	1.412	40	0	biogenic,in-vitro	JDABMN
Cn1cc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](CNCc4ccccc4OC(F)(F)F)[C@@H](O)[C@H]3O2)cn1	ZINC000225516955	291463703	/nfs/dbraw/zinc/46/37/03/291463703.db2.gz	WUTHDMYRJZGCMM-MAWREPJSSA-N	0	1	484.475	1.401	40	0	biogenic,in-vitro	JDABMN
C[C@@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1	ZINC000057773719	195359987	/nfs/dbraw/zinc/35/99/87/195359987.db2.gz	YDPLLWIBBYPMMV-DENIHFKCSA-N	0	1	476.581	1.172	40	0		JDABMN
CNC(=O)c1cc(S(=O)(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)ccc1OC	ZINC000020488615	521789870	/nfs/dbraw/zinc/78/98/70/521789870.db2.gz	ULCTUBZNZWRSDR-UHFFFAOYSA-N	0	1	471.557	1.551	40	0		JDABMN
COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccc(C)cc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12	ZINC000036092083	523363924	/nfs/dbraw/zinc/36/39/24/523363924.db2.gz	YJFZFCJZWKCSLL-YGWSKSRPSA-N	0	1	461.518	1.898	40	0		JDABMN
O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000006551996	554551214	/nfs/dbraw/zinc/55/12/14/554551214.db2.gz	XLWDMCYFGDIPHH-UHFFFAOYSA-N	0	1	479.624	1.650	40	0		JDABMN
CCN1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1	ZINC000019961759	555572642	/nfs/dbraw/zinc/57/26/42/555572642.db2.gz	MDJYHDPDKXPKGG-HSZRJFAPSA-N	0	1	479.581	1.772	40	0		JDABMN
COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12	ZINC000022607532	555939916	/nfs/dbraw/zinc/93/99/16/555939916.db2.gz	BJZQPCNUIPWTJI-KTIHBUSBSA-N	0	1	451.454	1.420	40	0		JDABMN
Cn1c(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2cccnc2)N3C)nc2ccccc21	ZINC000022921090	555975187	/nfs/dbraw/zinc/97/51/87/555975187.db2.gz	JJNNFCQDFYCFES-SWHJIRTISA-N	0	1	475.597	1.438	40	0	biogenic,in-vitro	JDABMN
COc1ccc(S(=O)(=O)NCCCN2CCN(C)CC2)cc1C(=O)N1CCCCCC1	ZINC000022935012	555987748	/nfs/dbraw/zinc/98/77/48/555987748.db2.gz	FSSCFMUDZLDVJF-UHFFFAOYSA-N	0	1	452.621	1.627	40	0		JDABMN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000016153366	556127166	/nfs/dbraw/zinc/12/71/66/556127166.db2.gz	SFISTJKEUVHQMG-UHFFFAOYSA-N	0	1	472.541	1.534	40	0		JDABMN
COc1cc(C(=O)O[C@@H](C)CC2(c3ccccc3)C(=O)NC(=O)NC2=O)cc(OC)c1OC	ZINC000017104417	556217008	/nfs/dbraw/zinc/21/70/08/556217008.db2.gz	RUUGPJVVSSGBLK-ZDUSSCGKSA-N	0	1	456.451	1.952	40	0		JDABMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)n1	ZINC000030871870	556385431	/nfs/dbraw/zinc/38/54/31/556385431.db2.gz	SGSPUJCWGNYBJE-UHFFFAOYSA-N	0	1	475.552	1.991	40	0		JDABMN
C[N@H+]1[C@@H]2CCN(Cc3ccc(C(=O)[O-])cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccco1	ZINC000035442373	560079235	/nfs/dbraw/zinc/07/92/35/560079235.db2.gz	QLJHHZSXFXCBGF-DWLFOUALSA-N	0	1	454.527	1.448	40	0	biogenic,in-vitro	JDABMN
CN1[C@@H]2CC[N@H+](Cc3ccc(C(=O)[O-])cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccco1	ZINC000035442373	560079237	/nfs/dbraw/zinc/07/92/37/560079237.db2.gz	QLJHHZSXFXCBGF-DWLFOUALSA-N	0	1	454.527	1.448	40	0	biogenic,in-vitro	JDABMN
CN1[C@@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccco1	ZINC000035442373	560079238	/nfs/dbraw/zinc/07/92/38/560079238.db2.gz	QLJHHZSXFXCBGF-DWLFOUALSA-N	0	1	454.527	1.448	40	0	biogenic,in-vitro	JDABMN
Cc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCN(c4ccccn4)CC2)N3C)cc1	ZINC000035442494	560079780	/nfs/dbraw/zinc/07/97/80/560079780.db2.gz	JUZOFBZVPXOPQV-XFAFFCHDSA-N	0	1	490.652	1.892	40	0	biogenic,in-vitro	JDABMN
CN1[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCC(O)CC1	ZINC000035442574	560079790	/nfs/dbraw/zinc/07/97/90/560079790.db2.gz	XFKBPSQEEVQUBH-DWLFOUALSA-N	0	1	482.547	1.842	40	0	biogenic,in-vitro	JDABMN
CN1[C@@H]2CCN(Cc3cccc(OC(F)(F)F)c3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCOCC1	ZINC000035442504	560079891	/nfs/dbraw/zinc/07/98/91/560079891.db2.gz	SUSHIXDWVYFOFD-DSKINZAPSA-N	0	1	484.519	1.597	40	0	biogenic,in-vitro	JDABMN
COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(N)=O)N[C@]23c2cc(C)cc(C)c2NC3=O)c1	ZINC000064196975	569616411	/nfs/dbraw/zinc/61/64/11/569616411.db2.gz	NCKZGICWWDVGEJ-QZSNXIIRSA-N	0	1	452.511	1.960	40	0		JDABMN
COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccc(C)cc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12	ZINC000100253337	569756426	/nfs/dbraw/zinc/75/64/26/569756426.db2.gz	YJFZFCJZWKCSLL-QILISPFLSA-N	0	1	461.518	1.898	40	0		JDABMN
CCOC(=O)C1C(CN2CCC[C@@H]2C(=O)OC)=NC(=O)N[C@H]1c1ccc(OC)c(COC)c1	ZINC000036626119	569778897	/nfs/dbraw/zinc/77/88/97/569778897.db2.gz	JKEXNNYXSDSBNZ-XLIONFOSSA-N	0	1	461.515	1.650	40	0		JDABMN
COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12	ZINC000101452024	569797786	/nfs/dbraw/zinc/79/77/86/569797786.db2.gz	FRZXJZPCLKMHAP-VKDGWMQASA-N	0	1	467.909	1.934	40	0		JDABMN
Cc1nnc(SCCNC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)[nH]1	ZINC000222635156	569887462	/nfs/dbraw/zinc/88/74/62/569887462.db2.gz	MELXSZHFWNLXBV-UHFFFAOYSA-N	0	1	475.596	1.921	40	0		JDABMN
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)s1	ZINC000223201218	569903265	/nfs/dbraw/zinc/90/32/65/569903265.db2.gz	NAZSVJRGVYZNIL-UHFFFAOYSA-N	0	1	453.590	1.833	40	0		JDABMN
O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1	ZINC000224326775	569940761	/nfs/dbraw/zinc/94/07/61/569940761.db2.gz	KOMDUVXNVXRIBW-UHFFFAOYSA-N	0	1	457.478	1.843	40	0		JDABMN
COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	ZINC000247808756	570069623	/nfs/dbraw/zinc/06/96/23/570069623.db2.gz	BJZQPCNUIPWTJI-SMOZNVCYSA-N	0	1	451.454	1.420	40	0		JDABMN
O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2ccccc2C(=O)N2CCN(C3CCCCC3)C[C@@H]12	ZINC000253399136	570096300	/nfs/dbraw/zinc/09/63/00/570096300.db2.gz	IMDCEIHVQRTHAY-NRTAZHGZSA-N	0	1	471.598	1.953	40	0		JDABMN
CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCCC4)C[C@H]3C(=O)NC[C@H]1O2	ZINC000253405630	570097054	/nfs/dbraw/zinc/09/70/54/570097054.db2.gz	STNMADXCQDUFAY-FEVSWUGISA-N	0	1	498.624	1.707	40	0		JDABMN
CCOC(=O)C1C(CN2CCC[C@H]2C(=O)OC)=NC(=O)N[C@H]1c1ccc(OC)c(COC)c1	ZINC000254814612	570106315	/nfs/dbraw/zinc/10/63/15/570106315.db2.gz	JKEXNNYXSDSBNZ-PXNSSMCTSA-N	0	1	461.515	1.650	40	0		JDABMN
CN1CCN(c2ccc(C(=O)N3CCC4(CC3)C[C@](C)(O)[C@@H](n3ccc(=O)[nH]c3=O)CO4)cc2)CC1	ZINC000257204945	570109258	/nfs/dbraw/zinc/10/92/58/570109258.db2.gz	AWZKCFQHCKKEAH-OFVILXPXSA-N	0	1	497.596	1.088	40	0		JDABMN
CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](N(C)C(=O)c3ccc(OCC[NH+]4CCCC4)cc3)[C@H]2O)CC1	ZINC000257205836	570109587	/nfs/dbraw/zinc/10/95/87/570109587.db2.gz	BAUOUPRFVMFFDV-WXFUMESZSA-N	0	1	458.603	1.289	40	0		JDABMN
Cc1ccc2nc(CCC(=O)N3C[C@@H](n4cnc5c4ncnc5N)[C@](C)(O)C[C@H](O)C3)[nH]c2c1	ZINC000257218179	570113635	/nfs/dbraw/zinc/11/36/35/570113635.db2.gz	DCDYYZOAQXCQFA-DJKDLEHESA-N	0	1	464.530	1.111	40	0		JDABMN
Cc1nc2ccc(CCC(=O)N3CCC4(CC3)C[C@H](n3ccc(=O)[nH]c3=O)[C@@](C)(O)CO4)cc2[nH]1	ZINC000257233789	570118109	/nfs/dbraw/zinc/11/81/09/570118109.db2.gz	GQTAOOZUDSHIML-RDPSFJRHSA-N	0	1	481.553	1.840	40	0		JDABMN
CCN1CCN(CC(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)CC1	ZINC000257261943	570127059	/nfs/dbraw/zinc/12/70/59/570127059.db2.gz	LJJUIPAFHFCICU-SANMLTNESA-N	0	1	490.620	1.700	40	0		JDABMN
CC1(C)C(=O)NCCN1C(=O)CCC(=O)N1CCCC[C@H]1C1CCN(CC(=O)N2CCCC2)CC1	ZINC000257279101	570132472	/nfs/dbraw/zinc/13/24/72/570132472.db2.gz	OFAJSQCUYQHYLM-NRFANRHFSA-N	0	1	489.661	1.219	40	0		JDABMN
NC(=O)C1CCN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)COc3ccccc3)CC2)CC1	ZINC000257286573	570134573	/nfs/dbraw/zinc/13/45/73/570134573.db2.gz	PMBOSQYYLZEYTG-HSZRJFAPSA-N	0	1	470.614	1.882	40	0		JDABMN
Cn1c2ncn([C@H]3CN(C(=O)CCc4nc5ccc(Cl)cc5[nH]4)CC[C@]3(C)O)c2c(=O)n(C)c1=O	ZINC000257301849	570139052	/nfs/dbraw/zinc/13/90/52/570139052.db2.gz	SAFLGJPSMSTZSX-HJPURHCSSA-N	0	1	499.959	1.121	40	0		JDABMN
Cc1ccc2nc(COCC(=O)N3CC[C@@](C)(O)[C@H](n4cnc5c4ncnc5N)C3)[nH]c2c1	ZINC000257308789	570141053	/nfs/dbraw/zinc/14/10/53/570141053.db2.gz	TYCDVVCJGRIVGE-OPAMFIHVSA-N	0	1	450.503	1.334	40	0		JDABMN
Cc1ccc2nc(COCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3ccc(N)nc3=O)CO4)[nH]c2c1	ZINC000257315919	570143182	/nfs/dbraw/zinc/14/31/82/570143182.db2.gz	VDGQDWLUOBNNKZ-NTKDMRAZSA-N	0	1	496.568	1.301	40	0		JDABMN
C[C@@]1(O)C[C@H](O)CN(C(=O)CCCc2nc3ccc(F)cc3[nH]2)C[C@H]1n1cnc2c1ncnc2N	ZINC000257325905	570146259	/nfs/dbraw/zinc/14/62/59/570146259.db2.gz	WUYFBAKWIBHZQU-DJKDLEHESA-N	0	1	482.520	1.332	40	0		JDABMN
CCOC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12	ZINC000095115758	520902835	/nfs/dbraw/zinc/90/28/35/520902835.db2.gz	SELFMECKQZVAPJ-YGWSKSRPSA-N	0	1	461.518	1.979	40	0		JDABMN
COC(=O)C1C(CNCCc2ccc(S(N)(=O)=O)cc2)=NC(=O)N[C@H]1c1ccc(C)cc1C	ZINC000020518277	522891541	/nfs/dbraw/zinc/89/15/41/522891541.db2.gz	BJWATKYBJVVBOB-NRFANRHFSA-N	0	1	472.567	1.564	40	0		JDABMN
Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)c1	ZINC000020459650	524524007	/nfs/dbraw/zinc/52/40/07/524524007.db2.gz	PONLNRGRNDAXDM-UHFFFAOYSA-N	0	1	475.552	1.991	40	0		JDABMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)n1	ZINC000020458933	525698066	/nfs/dbraw/zinc/69/80/66/525698066.db2.gz	COHMLWKGJGNDAH-OAHLLOKOSA-N	0	1	482.588	1.043	40	0		JDABMN
COc1ccc(S(=O)(=O)NCCCN2CCN(C)CC2)cc1C(=O)N1CCC(C)CC1	ZINC000022829995	555956349	/nfs/dbraw/zinc/95/63/49/555956349.db2.gz	IYBLKGSYUOJGKT-UHFFFAOYSA-N	0	1	452.621	1.483	40	0		JDABMN
CCOC(=O)C1C(CN2CCC[C@H]2C(=O)OC)=NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1	ZINC000017724516	556264852	/nfs/dbraw/zinc/26/48/52/556264852.db2.gz	JKEXNNYXSDSBNZ-FXAWDEMLSA-N	0	1	461.515	1.650	40	0		JDABMN
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(CC)CC3)cc2c1	ZINC000019522978	556351064	/nfs/dbraw/zinc/35/10/64/556351064.db2.gz	TWIAWMZBLMYHRJ-SIKLNZKXSA-N	0	1	451.575	1.983	40	0		JDABMN
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1	ZINC000030752833	556371937	/nfs/dbraw/zinc/37/19/37/556371937.db2.gz	STHTYPBQNHXFCD-UHFFFAOYSA-N	0	1	491.551	1.691	40	0		JDABMN
CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)N[C@]21c2cc(Br)ccc2NC1=O	ZINC000035375386	569684494	/nfs/dbraw/zinc/68/44/94/569684494.db2.gz	LBQGFSKAEUWJPY-RKQIXSEDSA-N	0	1	463.332	1.234	40	0		JDABMN
COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12	ZINC000095115750	569721897	/nfs/dbraw/zinc/72/18/97/569721897.db2.gz	FRZXJZPCLKMHAP-XHOYROJHSA-N	0	1	467.909	1.934	40	0		JDABMN
COC(=O)C[C@@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12	ZINC000095115751	569721916	/nfs/dbraw/zinc/72/19/16/569721916.db2.gz	FRZXJZPCLKMHAP-AZXNSQLWSA-N	0	1	467.909	1.934	40	0		JDABMN
CCOC(=O)C[C@@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12	ZINC000101452045	569797783	/nfs/dbraw/zinc/79/77/83/569797783.db2.gz	SELFMECKQZVAPJ-IMIIHFCZSA-N	0	1	461.518	1.979	40	0		JDABMN
COC(=O)C[C@@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12	ZINC000101452032	569797796	/nfs/dbraw/zinc/79/77/96/569797796.db2.gz	IIMWOQANWNZMRW-CMCWBKRRSA-N	0	1	467.909	1.934	40	0		JDABMN
CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCN(C)CC3)ccc1OCC)[nH]c2=O	ZINC000038595321	569805471	/nfs/dbraw/zinc/80/54/71/569805471.db2.gz	KYIZVGATHRLFFT-HXUWFJFHSA-N	0	1	474.587	1.219	40	0		JDABMN
COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccc(C)cc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12	ZINC000169680763	569870640	/nfs/dbraw/zinc/87/06/40/569870640.db2.gz	YJFZFCJZWKCSLL-CQAGSAPUSA-N	0	1	461.518	1.898	40	0		JDABMN
Cc1nnc(SCCNC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)[nH]1	ZINC000222652240	569887753	/nfs/dbraw/zinc/88/77/53/569887753.db2.gz	BHNXQABHLPXFTG-UHFFFAOYSA-N	0	1	461.569	1.879	40	0		JDABMN
Cc1nnc(SCCNC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)[nH]1	ZINC000222753032	569890307	/nfs/dbraw/zinc/89/03/07/569890307.db2.gz	XOQHHVBTPMJRBX-UHFFFAOYSA-N	0	1	453.590	1.821	40	0		JDABMN
COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1	ZINC000223042188	569897572	/nfs/dbraw/zinc/89/75/72/569897572.db2.gz	LCSSGQOQWDUGTR-UHFFFAOYSA-N	0	1	476.463	1.723	40	0		JDABMN
COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1N1C(=O)CCC1=O	ZINC000224009813	569930303	/nfs/dbraw/zinc/93/03/03/569930303.db2.gz	RDQDFNPYXUDQBS-UHFFFAOYSA-N	0	1	458.540	1.901	40	0		JDABMN
O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1	ZINC000224334310	569940986	/nfs/dbraw/zinc/94/09/86/569940986.db2.gz	YUIQHOJHUDLBEZ-UHFFFAOYSA-N	0	1	457.478	1.843	40	0		JDABMN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C	ZINC000225680077	570014168	/nfs/dbraw/zinc/01/41/68/570014168.db2.gz	RMJWJXWRDUWQRR-UHFFFAOYSA-N	0	1	499.592	1.430	40	0		JDABMN
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSc3nnc(C)[nH]3)CC2)cc1C	ZINC000226080577	570036469	/nfs/dbraw/zinc/03/64/69/570036469.db2.gz	YFJWAXWQXOHXPP-UHFFFAOYSA-N	0	1	453.590	1.739	40	0		JDABMN
CC(=O)N1CCN(C[C@]2(O)CC[N@@H+](Cc3ccc(OCCn4nc(C)cc4C)cc3)C2)CC1	ZINC000257212961	570111891	/nfs/dbraw/zinc/11/18/91/570111891.db2.gz	CFPQCECPLJVTJE-RUZDIDTESA-N	0	1	455.603	1.680	40	0		JDABMN
Cc1cc2nc(CCC(=O)N3C[C@@H](n4cnc5c4nc(N)nc5N)[C@](C)(O)C[C@H](O)C3)[nH]c2c(C)c1	ZINC000257212663	570111907	/nfs/dbraw/zinc/11/19/07/570111907.db2.gz	CEJYCCLGYUQXAX-GMBGOVJBSA-N	0	1	493.572	1.002	40	0		JDABMN
Cc1ccc2nc(COCC(=O)N3CCC4(CC3)C[C@H](n3ccc(=O)[nH]c3=O)[C@@](C)(O)CO4)[nH]c2c1	ZINC000257265699	570128206	/nfs/dbraw/zinc/12/82/06/570128206.db2.gz	LZXNGWFSBDQKJI-CYFREDJKSA-N	0	1	497.552	1.424	40	0		JDABMN
Cc1cc2nc(CCC(=O)N3CC[C@@H](n4cnc5c4nc(N)nc5N)[C@](C)(O)C3)[nH]c2c(C)c1	ZINC000257270967	570129822	/nfs/dbraw/zinc/12/98/22/570129822.db2.gz	MWJBSUJJYDQQAP-IQMFZBJNSA-N	0	1	463.546	1.641	40	0		JDABMN
CN1CCN(c2cc(C(=O)N3CCOC[C@]4(CN(c5ccc(F)cc5)C(=O)O4)C3)ccn2)CC1	ZINC000257276167	570131414	/nfs/dbraw/zinc/13/14/14/570131414.db2.gz	NSPJXNOBWOCWOX-XMMPIXPASA-N	0	1	469.517	1.841	40	0		JDABMN
Cc1cc2nc(CCC(=O)N3CC[C@](C)(O)[C@@H](n4cnc5c4c(=O)n(C)c(=O)n5C)C3)[nH]c2c(C)c1	ZINC000257280115	570132722	/nfs/dbraw/zinc/13/27/22/570132722.db2.gz	OJMLXLRDBVERLY-GKVSMKOHSA-N	0	1	493.568	1.084	40	0		JDABMN
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@@H+](C)CCc1ccccn1	ZINC000257312351	570142192	/nfs/dbraw/zinc/14/21/92/570142192.db2.gz	UNNSECRATPTTFM-HTDNTCHWSA-N	0	1	493.564	1.374	40	0		JDABMN
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N(C)CCc1ccccn1	ZINC000257312351	570142193	/nfs/dbraw/zinc/14/21/93/570142193.db2.gz	UNNSECRATPTTFM-HTDNTCHWSA-N	0	1	493.564	1.374	40	0		JDABMN
O=C(c1ccc(-n2cccn2)nc1)N1CCN(Cc2ccccc2)C[C@](O)(Cn2cccn2)C1	ZINC000257314026	570142722	/nfs/dbraw/zinc/14/27/22/570142722.db2.gz	UVBNBBAQKOBYCG-RUZDIDTESA-N	0	1	457.538	1.853	40	0		JDABMN
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3nnc(C)[nH]3)C2)cc1OC	ZINC000260749260	570156466	/nfs/dbraw/zinc/15/64/66/570156466.db2.gz	UMKQXECHGFCGOQ-AWEZNQCLSA-N	0	1	469.589	1.440	40	0		JDABMN
CC(=O)N1CCC[N@@H+](CC[C@H]2CN(S(=O)(=O)c3ccccc3)CC[C@H]2CC(=O)[O-])CC1	ZINC000012481115	519525951	/nfs/dbraw/zinc/52/59/51/519525951.db2.gz	ZANVIQYSPSVSKY-PMACEKPBSA-N	0	1	451.589	1.732	40	0	biogenic,in-vitro	JDABMN
CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)C1	ZINC000022528661	521961706	/nfs/dbraw/zinc/96/17/06/521961706.db2.gz	OCFLJELMKSAOED-OAHLLOKOSA-N	0	1	467.573	1.339	40	0		JDABMN
COC(=O)C1C(CNCCc2ccc(S(N)(=O)=O)cc2)=NC(=O)N[C@@H]1c1cc(C)ccc1C	ZINC000020518268	522889917	/nfs/dbraw/zinc/88/99/17/522889917.db2.gz	RGSMAVYCUKPOTO-OAQYLSRUSA-N	0	1	472.567	1.564	40	0		JDABMN
COC(=O)C1C(CNCCc2ccc(S(N)(=O)=O)cc2)=NC(=O)N[C@H]1c1cc(C)ccc1C	ZINC000020518271	522890603	/nfs/dbraw/zinc/89/06/03/522890603.db2.gz	RGSMAVYCUKPOTO-NRFANRHFSA-N	0	1	472.567	1.564	40	0		JDABMN
CN(C)CC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2ccccc2CN2CCOCC2)c1=O	ZINC000020503613	524043733	/nfs/dbraw/zinc/04/37/33/524043733.db2.gz	YUOWPXDKSYOMOV-PZJWPPBQSA-N	0	1	450.583	1.855	40	0	biogenic,in-vitro	JDABMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)n1	ZINC000044838752	524590646	/nfs/dbraw/zinc/59/06/46/524590646.db2.gz	RSJDIVZNNWEWOX-INIZCTEOSA-N	0	1	496.615	1.351	40	0		JDABMN
Cc1c(C)n(-c2ccc(F)cc2)c2nc3c(c(=O)n(CCCN4CCN(C)CC4)c(=O)n3C)n12	ZINC000022821634	525678725	/nfs/dbraw/zinc/67/87/25/525678725.db2.gz	QZOHAMLOTLAIIV-UHFFFAOYSA-N	0	1	467.549	1.532	40	0		JDABMN
COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)c1	ZINC000044948005	526135833	/nfs/dbraw/zinc/13/58/33/526135833.db2.gz	ZFLUZTVMUZTEJV-UHFFFAOYSA-N	0	1	491.551	1.691	40	0		JDABMN
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1	ZINC000020494481	526720875	/nfs/dbraw/zinc/72/08/75/526720875.db2.gz	XKAXVAQCKBFGHA-UHFFFAOYSA-N	0	1	472.504	1.666	40	0		JDABMN
Cn1c2nc(N3CCN(CCc4ccccc4)CC3)n(Cc3ccc(F)cc3)c2c(=O)[nH]c1=O	ZINC000009290926	555065322	/nfs/dbraw/zinc/06/53/22/555065322.db2.gz	MEIMNNJPYQNPSE-UHFFFAOYSA-N	0	1	462.529	1.975	40	0		JDABMN
CCN1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1	ZINC000019961755	555572672	/nfs/dbraw/zinc/57/26/72/555572672.db2.gz	MDJYHDPDKXPKGG-QHCPKHFHSA-N	0	1	479.581	1.772	40	0		JDABMN
CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)Oc2ccccc21	ZINC000020050956	555620102	/nfs/dbraw/zinc/62/01/02/555620102.db2.gz	SKPYRHWKPIQUAZ-GOSISDBHSA-N	0	1	489.535	1.443	40	0		JDABMN
CCN1CCN([C@@H](c2nnnn2C[C@H]2CCCO2)c2cc3cc(OC)c(OC)cc3[nH]c2=O)CC1	ZINC000020080703	555629378	/nfs/dbraw/zinc/62/93/78/555629378.db2.gz	MSLDKMRCUAEXAL-VGOFRKELSA-N	0	1	483.573	1.438	40	0		JDABMN
CCN1CCN([C@@H](c2nnnn2C[C@@H]2CCCO2)c2cc3cc(OC)c(OC)cc3[nH]c2=O)CC1	ZINC000020080695	555629507	/nfs/dbraw/zinc/62/95/07/555629507.db2.gz	MSLDKMRCUAEXAL-HTAPYJJXSA-N	0	1	483.573	1.438	40	0		JDABMN
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(F)c(F)c1	ZINC000020105719	555639419	/nfs/dbraw/zinc/63/94/19/555639419.db2.gz	IOOXIGSPXONWNT-UHFFFAOYSA-N	0	1	497.505	1.960	40	0		JDABMN
CCOC(=O)COc1c(I)cc(/C=C2/NC(=O)NC2=O)cc1OCC	ZINC000013914254	555646122	/nfs/dbraw/zinc/64/61/22/555646122.db2.gz	GDRNSDMXOVSMLB-IZZDOVSWSA-N	0	1	460.224	1.812	40	0		JDABMN
COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(C)(=O)=O	ZINC000030754508	556372614	/nfs/dbraw/zinc/37/26/14/556372614.db2.gz	YKUZKRSZCLSHFM-UHFFFAOYSA-N	0	1	491.551	1.691	40	0		JDABMN
COC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@@H]1c1ccccc1	ZINC000019818014	556384911	/nfs/dbraw/zinc/38/49/11/556384911.db2.gz	KRPPVKBQLOUHLI-NHCUHLMSSA-N	0	1	450.495	1.549	40	0		JDABMN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1	ZINC000030870750	556385157	/nfs/dbraw/zinc/38/51/57/556385157.db2.gz	VRNNCAYXELVPGE-UHFFFAOYSA-N	0	1	495.579	1.644	40	0		JDABMN
CN(CCc1ccccn1)[C@H]1[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)O[C@@H](CO)[C@H]1O	ZINC000030879618	556386024	/nfs/dbraw/zinc/38/60/24/556386024.db2.gz	NEVADOILGRUXIQ-FUMNGEBKSA-N	0	1	453.461	1.494	40	0	biogenic,in-vitro	JDABMN
COC(=O)C[C@@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	ZINC000101452029	569797799	/nfs/dbraw/zinc/79/77/99/569797799.db2.gz	XIORALMPLAEYAS-CMCWBKRRSA-N	0	1	467.909	1.934	40	0		JDABMN
CCOC(=O)C1C(COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)=NC(=O)N[C@@H]1c1ccccc1	ZINC000103125914	569833033	/nfs/dbraw/zinc/83/30/33/569833033.db2.gz	PHOABRGESCXRAO-XGHQBKJUSA-N	0	1	481.505	1.742	40	0		JDABMN
Cc1nnc(SCCNC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)[nH]1	ZINC000222749768	569890191	/nfs/dbraw/zinc/89/01/91/569890191.db2.gz	ZWZSOYJTVMFXKM-UHFFFAOYSA-N	0	1	453.590	1.965	40	0		JDABMN
CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1	ZINC000223019776	569896946	/nfs/dbraw/zinc/89/69/46/569896946.db2.gz	AKZBKTCUJQZAHO-UHFFFAOYSA-N	0	1	453.571	1.914	40	0		JDABMN
COCCNC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)ccc1C	ZINC000408626245	569980509	/nfs/dbraw/zinc/98/05/09/569980509.db2.gz	VHQSCOPSJPQXML-UHFFFAOYSA-N	0	1	466.512	1.976	40	0		JDABMN
O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2ccccc2C(=O)N2CCN(C3CCCC3)C[C@@H]12	ZINC000253406060	570097010	/nfs/dbraw/zinc/09/70/10/570097010.db2.gz	UDHSQVCJWKTXSC-XHRGMSINSA-N	0	1	457.571	1.563	40	0		JDABMN
O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CCN(C4CCOCC4)C[C@@H]13)O2	ZINC000253408852	570097368	/nfs/dbraw/zinc/09/73/68/570097368.db2.gz	YURWDSRKVPTDFS-ONTIZHBOSA-N	0	1	455.555	1.604	40	0		JDABMN
O=C([O-])CCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCN(c2ccccc2)CC1	ZINC000257212180	570111806	/nfs/dbraw/zinc/11/18/06/570111806.db2.gz	CCGOHBPKNQYGNG-ZLSIYFNSSA-N	0	1	471.529	1.878	40	0		JDABMN
O=C(CN1CCOCC1)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1	ZINC000257214948	570112585	/nfs/dbraw/zinc/11/25/85/570112585.db2.gz	COBKDZUYQRCBBS-OSNGURLVSA-N	0	1	469.557	1.582	40	0		JDABMN
Cc1nc2ccc(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cc(F)c(=O)[nH]c3=O)CO4)cc2[nH]1	ZINC000257236483	570119029	/nfs/dbraw/zinc/11/90/29/570119029.db2.gz	HCJZPRMTCINVGO-HYBUGGRVSA-N	0	1	499.543	1.979	40	0		JDABMN
CCN1CCN(CC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCOCC3)C2)CC1	ZINC000257237101	570119137	/nfs/dbraw/zinc/11/91/37/570119137.db2.gz	HFEGFPXQAIJXGU-REWPJTCUSA-N	0	1	493.048	1.822	40	0		JDABMN
O=C([O-])COCC(=O)N[C@@H]1C[C@@H](Oc2cccc(Cl)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1	ZINC000257237501	570119405	/nfs/dbraw/zinc/11/94/05/570119405.db2.gz	HGUQUWOZQRHONE-CHOVIJNXSA-N	0	1	474.941	1.865	40	0		JDABMN
O=C([O-])COCC(=O)N[C@@H]1C[C@@H](Oc2cccc(Cl)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1	ZINC000257237501	570119406	/nfs/dbraw/zinc/11/94/06/570119406.db2.gz	HGUQUWOZQRHONE-CHOVIJNXSA-N	0	1	474.941	1.865	40	0		JDABMN
CN1CCN(c2cc(C(=O)N3CCOC[C@]4(CN(c5cccc(F)c5)C(=O)O4)C3)ccn2)CC1	ZINC000257242566	570120885	/nfs/dbraw/zinc/12/08/85/570120885.db2.gz	IDDHCQQWVNYCGB-XMMPIXPASA-N	0	1	469.517	1.841	40	0		JDABMN
Cc1cc2nc(CCC(=O)N3CCC[C@@]4(Cc5c(n(C)c(=O)n(C)c5=O)O4)CC3)[nH]c2c(C)c1	ZINC000257253585	570124415	/nfs/dbraw/zinc/12/44/15/570124415.db2.gz	JZMBTEQSAHYBTF-VWLOTQADSA-N	0	1	465.554	1.896	40	0		JDABMN
C[C@]1(O)C[C@@H](O)CN(C(=O)CCc2nc3ccc(Cl)cc3[nH]2)C[C@@H]1n1cnc2c1ncnc2N	ZINC000257280287	570132847	/nfs/dbraw/zinc/13/28/47/570132847.db2.gz	OKHXPDLZWUAJLN-DHZVRSILSA-N	0	1	484.948	1.456	40	0		JDABMN
COc1cc(Br)cc(C(=O)N[C@@H]2CCCC[C@@H](N3CCN(C(C)=O)CC3)[C@@H]2O)c1O	ZINC000257288645	570135139	/nfs/dbraw/zinc/13/51/39/570135139.db2.gz	PVBMBKRTSNEGDM-MBOZVWFJSA-N	0	1	484.391	1.729	40	0		JDABMN
CN(C)CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1	ZINC000257317449	570143675	/nfs/dbraw/zinc/14/36/75/570143675.db2.gz	VJUDVIZQVIJZMV-SDZTWWDVSA-N	0	1	456.562	1.575	40	0		JDABMN
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3nnc(C)[nH]3)C2)cc1	ZINC000260746132	570156226	/nfs/dbraw/zinc/15/62/26/570156226.db2.gz	QEBIYFUZAKLZCI-HNNXBMFYSA-N	0	1	453.590	1.821	40	0		JDABMN
C[C@@H](CO)Nc1nc(NCCN2CCN(C)CC2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329071508	570184025	/nfs/dbraw/zinc/18/40/25/570184025.db2.gz	ZQKZJFBQSATNMW-HNNXBMFYSA-N	0	1	454.497	1.338	40	0		JDABMN
COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(O)c(I)c2)C1=O	ZINC000408548261	570194117	/nfs/dbraw/zinc/19/41/17/570194117.db2.gz	FHQDZJXPTPRZFF-RUDMXATFSA-N	0	1	481.040	1.825	40	0		JDABMN
CCN(CC)Cc1ccc(C(=O)N2CCC[C@@H](c3c(S(C)(=O)=O)cnc4ncnn43)C2)o1	ZINC000057730154	195358693	/nfs/dbraw/zinc/35/86/93/195358693.db2.gz	ZYAUSTYBFQLIDL-OAHLLOKOSA-N	0	1	460.560	1.982	40	0		JDABMN
CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](CC[N@H+]3CCC[C@H]3C(N)=O)C2)cc1	ZINC000020463030	519730961	/nfs/dbraw/zinc/73/09/61/519730961.db2.gz	BGTPMIRURQJAKI-ZWOKBUDYSA-N	0	1	480.587	1.086	40	0	biogenic,in-vitro	JDABMN
CN(CCc1ccccc1)[C@H]1[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)O[C@@H](CO)[C@H]1O	ZINC000020465788	522957223	/nfs/dbraw/zinc/95/72/23/522957223.db2.gz	SDZDVEKKUNSYSF-IVAOSVALSA-N	0	1	454.976	1.282	40	0	biogenic,in-vitro	JDABMN
Cc1cc(NC(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)n2)no1	ZINC000012485018	525167692	/nfs/dbraw/zinc/16/76/92/525167692.db2.gz	UZOXVCKUBRQGNV-UHFFFAOYSA-N	0	1	497.493	1.847	40	0		JDABMN
O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000020459017	526479491	/nfs/dbraw/zinc/47/94/91/526479491.db2.gz	FPPKHYSLYJILBI-CALCHBBNSA-N	0	1	455.496	1.557	40	0		JDABMN
Cn1c2nc(N3CCN(Cc4ccccc4)CC3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O	ZINC000016363734	527121297	/nfs/dbraw/zinc/12/12/97/527121297.db2.gz	GXZAJNAEYNQIJH-UHFFFAOYSA-N	0	1	462.529	1.943	40	0		JDABMN
CCN1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1	ZINC000019961931	555573010	/nfs/dbraw/zinc/57/30/10/555573010.db2.gz	RYUWQFDOILVGNB-QGZVFWFLSA-N	0	1	456.374	1.287	40	0		JDABMN
CCCN1CCN([C@H](c2nnnn2CCOC)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1	ZINC000019973373	555575837	/nfs/dbraw/zinc/57/58/37/555575837.db2.gz	MLIZTMPVLAQKJN-FQEVSTJZSA-N	0	1	455.519	1.007	40	0		JDABMN
CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)Oc2ccccc21	ZINC000020050953	555620035	/nfs/dbraw/zinc/62/00/35/555620035.db2.gz	SKPYRHWKPIQUAZ-SFHVURJKSA-N	0	1	489.535	1.443	40	0		JDABMN
CCN1CCN([C@H](c2nnnn2C[C@H]2CCCO2)c2cc3cc(OC)c(OC)cc3[nH]c2=O)CC1	ZINC000020080706	555629522	/nfs/dbraw/zinc/62/95/22/555629522.db2.gz	MSLDKMRCUAEXAL-VGSWGCGISA-N	0	1	483.573	1.438	40	0		JDABMN
O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000015721220	555955194	/nfs/dbraw/zinc/95/51/94/555955194.db2.gz	SFXFXCFKKPUNMP-FKBYEOEOSA-N	0	1	488.548	1.499	40	0		JDABMN
C[N@H+]1[C@@H]2CCN(Cc3ccc(C(=O)[O-])cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1	ZINC000022922868	555975756	/nfs/dbraw/zinc/97/57/56/555975756.db2.gz	ITNXWJMHXPFIBT-ZDXQCDESSA-N	0	1	482.556	1.994	40	0	biogenic,in-vitro	JDABMN
CN1[C@@H]2CC[N@H+](Cc3ccc(C(=O)[O-])cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1	ZINC000022922868	555975764	/nfs/dbraw/zinc/97/57/64/555975764.db2.gz	ITNXWJMHXPFIBT-ZDXQCDESSA-N	0	1	482.556	1.994	40	0	biogenic,in-vitro	JDABMN
CN1[C@@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1	ZINC000022922868	555975767	/nfs/dbraw/zinc/97/57/67/555975767.db2.gz	ITNXWJMHXPFIBT-ZDXQCDESSA-N	0	1	482.556	1.994	40	0	biogenic,in-vitro	JDABMN
CN1[C@@H]2CCN(Cc3ccc(O)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCN(c2ccccn2)CC1	ZINC000022923236	555976189	/nfs/dbraw/zinc/97/61/89/555976189.db2.gz	MTFXAAYYWDZTMZ-SYVJQLTCSA-N	0	1	492.624	1.289	40	0	biogenic,in-vitro	JDABMN
COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ccc(C(=O)[O-])cc3)[N@H+]2C)cc1	ZINC000022922939	555976261	/nfs/dbraw/zinc/97/62/61/555976261.db2.gz	VBSLDMLBSZWRDY-PWWKTKHKSA-N	0	1	494.592	1.863	40	0	biogenic,in-vitro	JDABMN
CCOC(=O)COc1c(I)cc(/C=C2\NC(=O)NC2=O)cc1OCC	ZINC000015931891	556070716	/nfs/dbraw/zinc/07/07/16/556070716.db2.gz	GDRNSDMXOVSMLB-WDZFZDKYSA-N	0	1	460.224	1.812	40	0		JDABMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(-n4cnnn4)cc3)cc2)n1	ZINC000027912471	556309751	/nfs/dbraw/zinc/30/97/51/556309751.db2.gz	RWTUOSJACDMRGU-UHFFFAOYSA-N	0	1	466.483	1.579	40	0		JDABMN
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(CC)CC3)cc2c1	ZINC000019522980	556351013	/nfs/dbraw/zinc/35/10/13/556351013.db2.gz	TWIAWMZBLMYHRJ-DENIHFKCSA-N	0	1	451.575	1.983	40	0		JDABMN
COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)CN3C3(CN(Cc4ccc5c(c4)OCO5)C3)C2)c1	ZINC000514290321	560029832	/nfs/dbraw/zinc/02/98/32/560029832.db2.gz	XGRBYISTPUZQBI-FCHUYYIVSA-N	0	1	465.550	1.707	40	0	biogenic,in-vitro	JDABMN
CNCc1cn(C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C(=O)N2CCN(c3ccccc3OC)CC2)nn1	ZINC000008254091	560207989	/nfs/dbraw/zinc/20/79/89/560207989.db2.gz	LCFNXNIINFIYLK-TYPHKJRUSA-N	0	1	453.591	1.065	40	0	biogenic,in-vitro	JDABMN
COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12	ZINC000095115754	569721973	/nfs/dbraw/zinc/72/19/73/569721973.db2.gz	IIMWOQANWNZMRW-XHOYROJHSA-N	0	1	467.909	1.934	40	0		JDABMN
CCOC(=O)C1C(COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)=NC(=O)N[C@H]1c1ccccc1	ZINC000103125918	569833003	/nfs/dbraw/zinc/83/30/03/569833003.db2.gz	PHOABRGESCXRAO-FIKGOQFSSA-N	0	1	481.505	1.742	40	0		JDABMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)n1	ZINC000140125220	569867377	/nfs/dbraw/zinc/86/73/77/569867377.db2.gz	RIQZJTMVLWRCDP-HDICACEKSA-N	0	1	469.523	1.866	40	0		JDABMN
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1F	ZINC000216462837	569878977	/nfs/dbraw/zinc/87/89/77/569878977.db2.gz	IGBLKGUANPRKFX-UHFFFAOYSA-N	0	1	479.515	1.821	40	0		JDABMN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3nnc(C)[nH]3)C2)cc1OC	ZINC000222571961	569886003	/nfs/dbraw/zinc/88/60/03/569886003.db2.gz	UMKQXECHGFCGOQ-CQSZACIVSA-N	0	1	469.589	1.440	40	0		JDABMN
COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCCSc2nnc(C)[nH]2)CC1	ZINC000222620389	569887164	/nfs/dbraw/zinc/88/71/64/569887164.db2.gz	SOSFHGSQGZRGJO-UHFFFAOYSA-N	0	1	457.553	1.570	40	0		JDABMN
COCCNS(=O)(=O)c1ccc(OCC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1	ZINC000222743308	569890088	/nfs/dbraw/zinc/89/00/88/569890088.db2.gz	DQEBSABTPVZYCN-UHFFFAOYSA-N	0	1	491.595	1.684	40	0		JDABMN
CC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3cccc(Br)c3)no2)s1	ZINC000223430919	569911158	/nfs/dbraw/zinc/91/11/58/569911158.db2.gz	SFAJQGGWPCVTTD-UHFFFAOYSA-N	0	1	459.307	1.788	40	0		JDABMN
O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1	ZINC000224326696	569940716	/nfs/dbraw/zinc/94/07/16/569940716.db2.gz	OXUKSZPVJSFYDV-UHFFFAOYSA-N	0	1	457.478	1.843	40	0		JDABMN
COc1ccc(S(=O)(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc1Cl	ZINC000224334524	569941030	/nfs/dbraw/zinc/94/10/30/569941030.db2.gz	KQSUJMDLMDYGTQ-UHFFFAOYSA-N	0	1	453.952	1.486	40	0		JDABMN
CC(=O)Nc1nnc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1	ZINC000224423240	569944089	/nfs/dbraw/zinc/94/40/89/569944089.db2.gz	AEZGXSQTPBQWPR-UHFFFAOYSA-N	0	1	489.601	1.028	40	0		JDABMN
CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1	ZINC000408605563	569970820	/nfs/dbraw/zinc/97/08/20/569970820.db2.gz	NAKJRMQVXXYSQO-LBPRGKRZSA-N	0	1	452.485	1.805	40	0		JDABMN
COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1	ZINC000408693331	570016078	/nfs/dbraw/zinc/01/60/78/570016078.db2.gz	ONMNLESFIHNEMX-UHFFFAOYSA-N	0	1	494.522	1.772	40	0		JDABMN
CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(CC4CC4)C[C@H]3C(=O)NC[C@H]1O2	ZINC000253398506	570096289	/nfs/dbraw/zinc/09/62/89/570096289.db2.gz	HGIRFYOUIXWVAG-AYEXWZOKSA-N	0	1	484.597	1.174	40	0		JDABMN
Cc1ccc2nc(COCC(=O)N[C@H]3CCC[C@H](n4cnc5c4ncnc5N)[C@H]3O)[nH]c2c1	ZINC000257202008	570108295	/nfs/dbraw/zinc/10/82/95/570108295.db2.gz	AKBVHNASIMZIKH-UVFQYZLESA-N	0	1	450.503	1.381	40	0		JDABMN
Cc1ccc2nc(COCC(=O)N3CC[C@H](n4cnc5c4ncnc5N)[C@@](C)(O)C3)[nH]c2c1	ZINC000257207260	570110169	/nfs/dbraw/zinc/11/01/69/570110169.db2.gz	BHALOMOXGAEIIP-AOMKIAJQSA-N	0	1	450.503	1.334	40	0		JDABMN
COc1ccc(CN(C)[C@H]2CN(CC(=O)Nc3ccc(N4CCOCC4)cc3)C[C@@H]2O)cc1	ZINC000257208154	570110379	/nfs/dbraw/zinc/11/03/79/570110379.db2.gz	BKYYPSWLUVKWHV-ZEQRLZLVSA-N	0	1	454.571	1.647	40	0		JDABMN
COc1cc(CN2CCC[C@H]3OC[C@@H](NC(C)=O)[C@](C)(O)C[C@H]32)ccc1OCCN1CCOCC1	ZINC000257271103	570129891	/nfs/dbraw/zinc/12/98/91/570129891.db2.gz	MWWGOAUQUMNIAV-SAZLYLDSSA-N	0	1	491.629	1.415	40	0		JDABMN
Cn1c2c(c(=O)n(C)c1=O)C[C@@]1(CCCN(C(=O)CCc3nc4ccc(Cl)cc4[nH]3)CC1)O2	ZINC000257272965	570130594	/nfs/dbraw/zinc/13/05/94/570130594.db2.gz	NEQXXYLEOIMTHG-QHCPKHFHSA-N	0	1	471.945	1.933	40	0		JDABMN
CN1CCN(c2cc(C(=O)N3CCOC[C@@]4(CN(c5ccc(F)cc5)C(=O)O4)C3)ccn2)CC1	ZINC000257276166	570131467	/nfs/dbraw/zinc/13/14/67/570131467.db2.gz	NSPJXNOBWOCWOX-DEOSSOPVSA-N	0	1	469.517	1.841	40	0		JDABMN
CC(C)(NC(=O)c1ccccc1)C(=O)N1CC[C@@](O)(CN2CCN(c3ccccc3)CC2)C1	ZINC000257279846	570132681	/nfs/dbraw/zinc/13/26/81/570132681.db2.gz	OIKOXMYMCXOOQY-AREMUKBSSA-N	0	1	450.583	1.981	40	0		JDABMN
C[C@@]1(O)C[C@H](O)CN(C(=O)CCc2nc3ccc(Cl)cc3[nH]2)C[C@H]1n1cnc2c1ncnc2N	ZINC000257280288	570132851	/nfs/dbraw/zinc/13/28/51/570132851.db2.gz	OKHXPDLZWUAJLN-JWCWZOIMSA-N	0	1	484.948	1.456	40	0		JDABMN
C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)CN1CCOCC1	ZINC000257307756	570140682	/nfs/dbraw/zinc/14/06/82/570140682.db2.gz	TTZFJCQETUUWHC-SDZTWWDVSA-N	0	1	457.546	1.655	40	0		JDABMN
CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)CN1CCOCC1	ZINC000257307756	570140683	/nfs/dbraw/zinc/14/06/83/570140683.db2.gz	TTZFJCQETUUWHC-SDZTWWDVSA-N	0	1	457.546	1.655	40	0		JDABMN
C[C@@]1(O)C[C@H](O)CN(C(=O)CCc2nc3ccc(Cl)cc3[nH]2)C[C@H]1n1cnc2c1nc(N)nc2N	ZINC000257311944	570142007	/nfs/dbraw/zinc/14/20/07/570142007.db2.gz	ULSMLCRFXBVGEZ-ZNVLZIIHSA-N	0	1	499.963	1.039	40	0		JDABMN
CCOc1ccc(-c2cc(C(=O)N3CCC4(CC3)C[C@H](NS(C)(=O)=O)[C@@](C)(O)CO4)n[nH]2)cc1	ZINC000257337454	570149689	/nfs/dbraw/zinc/14/96/89/570149689.db2.gz	YSUUCJIVFYNRRO-UNMCSNQZSA-N	0	1	492.598	1.539	40	0		JDABMN
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCSc2nnc(C)[nH]2)C1	ZINC000260740213	570155926	/nfs/dbraw/zinc/15/59/26/570155926.db2.gz	MFXQWXBVLKIEPC-ZDUSSCGKSA-N	0	1	457.553	1.570	40	0		JDABMN
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3nnc(C)[nH]3)C2)cc1C	ZINC000260746325	570156228	/nfs/dbraw/zinc/15/62/28/570156228.db2.gz	RFUCGRZZOQMFFF-HNNXBMFYSA-N	0	1	453.590	1.739	40	0		JDABMN
CC(=O)N1CCC(N2CCC[C@H]2c2nc(-c3ccnc(N4CCN(C(C)=O)CC4)c3)no2)CC1	ZINC000049154920	519511495	/nfs/dbraw/zinc/51/14/95/519511495.db2.gz	ZZKAGMSPLZUTEQ-NRFANRHFSA-N	0	1	467.574	1.948	40	0	biogenic,in-vitro	JDABMN
CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(C)(=O)=O	ZINC000022526938	523653722	/nfs/dbraw/zinc/65/37/22/523653722.db2.gz	KERRHLGQSGQBOA-UHFFFAOYSA-N	0	1	461.525	1.926	40	0		JDABMN
COc1ccccc1N1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NCc3ccc4c(c3)OCO4)[C@@H]2O)CC1	ZINC000012483890	524561937	/nfs/dbraw/zinc/56/19/37/524561937.db2.gz	HVPLPYSGOWSUTI-UUFXTFJOSA-N	0	1	469.538	1.189	40	0	biogenic,in-vitro	JDABMN
Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1	ZINC000022513914	524896194	/nfs/dbraw/zinc/89/61/94/524896194.db2.gz	XXWBFACWOKWQJO-UHFFFAOYSA-N	0	1	475.552	1.991	40	0		JDABMN
COc1cc(C(=O)O[C@H](C)CC2(c3ccccc3)C(=O)NC(=O)NC2=O)cc(OC)c1OC	ZINC000005395432	554489797	/nfs/dbraw/zinc/48/97/97/554489797.db2.gz	RUUGPJVVSSGBLK-CYBMUJFWSA-N	0	1	456.451	1.952	40	0		JDABMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)n1	ZINC000019934536	555551991	/nfs/dbraw/zinc/55/19/91/555551991.db2.gz	YZZZHRBLJCTMNE-UHFFFAOYSA-N	0	1	482.588	1.043	40	0		JDABMN
CCCN1CCN([C@@H](c2nnnn2CCOC)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1	ZINC000019973372	555575745	/nfs/dbraw/zinc/57/57/45/555575745.db2.gz	MLIZTMPVLAQKJN-HXUWFJFHSA-N	0	1	455.519	1.007	40	0		JDABMN
COc1ccc(S(=O)(=O)NCCCN2CCN(C)CC2)cc1I	ZINC000022933864	555986682	/nfs/dbraw/zinc/98/66/82/555986682.db2.gz	VGVSSNAQBWZZJM-UHFFFAOYSA-N	0	1	453.346	1.216	40	0		JDABMN
CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)N[C@@]21c2cc(Br)ccc2NC1=O	ZINC000016024804	556115370	/nfs/dbraw/zinc/11/53/70/556115370.db2.gz	LBQGFSKAEUWJPY-ZMGVQCICSA-N	0	1	463.332	1.234	40	0		JDABMN
CCN1CCN([C@H](c2nnnn2C[C@H]2CCCO2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1	ZINC000019527959	556351891	/nfs/dbraw/zinc/35/18/91/556351891.db2.gz	FXVCQNNRVKXOGK-IERDGZPVSA-N	0	1	467.530	1.149	40	0		JDABMN
CCN1CCN([C@@H](c2nnnn2C[C@H]2CCCO2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1	ZINC000019527958	556351953	/nfs/dbraw/zinc/35/19/53/556351953.db2.gz	FXVCQNNRVKXOGK-IIBYNOLFSA-N	0	1	467.530	1.149	40	0		JDABMN
COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1F	ZINC000030852474	556378159	/nfs/dbraw/zinc/37/81/59/556378159.db2.gz	JDIIDKACZIRBON-UHFFFAOYSA-N	0	1	460.505	1.665	40	0		JDABMN
COC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@@H]1c1ccccc1	ZINC000019818016	556384787	/nfs/dbraw/zinc/38/47/87/556384787.db2.gz	KRPPVKBQLOUHLI-LEWJYISDSA-N	0	1	450.495	1.549	40	0		JDABMN
COC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@H]1c1ccccc1	ZINC000019818019	556384917	/nfs/dbraw/zinc/38/49/17/556384917.db2.gz	KRPPVKBQLOUHLI-SFTDATJTSA-N	0	1	450.495	1.549	40	0		JDABMN
COC(=O)c1cccc(CN2CC3(C2)CN(Cc2cccc(C(=O)OC)c2)C[C@@H]2C[C@@H](O)CN23)c1	ZINC000514290040	560030906	/nfs/dbraw/zinc/03/09/06/560030906.db2.gz	RWPKBCAMJMECSD-BJKOFHAPSA-N	0	1	479.577	1.765	40	0	biogenic,in-vitro	JDABMN
O=C(C[C@@H]1C[C@H]2O[C@H](CNCc3cnccc3C(F)(F)F)[C@@H](O)[C@H]2O1)N1CCC(F)(F)C1	ZINC000225518590	560042184	/nfs/dbraw/zinc/04/21/84/560042184.db2.gz	WIVYFVCXTCYQSL-UUWMRLDISA-N	0	1	465.419	1.734	40	0	biogenic,in-vitro	JDABMN
CN1[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCOCC1	ZINC000035442505	560079874	/nfs/dbraw/zinc/07/98/74/560079874.db2.gz	WJVKUDUVAXFDMY-ZVDOUQERSA-N	0	1	468.520	1.718	40	0	biogenic,in-vitro	JDABMN
CCC[N@@H+](CCc1cccs1)[C@H]1CCc2c(cccc2O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)C1	ZINC000077312945	569705987	/nfs/dbraw/zinc/70/59/87/569705987.db2.gz	KIZPMKLPMDPLQT-JUHHHSNRSA-N	0	1	491.606	1.831	40	0	in-vitro	JDABMN
COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12	ZINC000101452030	569797814	/nfs/dbraw/zinc/79/78/14/569797814.db2.gz	IIMWOQANWNZMRW-VKDGWMQASA-N	0	1	467.909	1.934	40	0		JDABMN
CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCN(C)CC3)ccc1OCC)[nH]c2=O	ZINC000038595323	569805452	/nfs/dbraw/zinc/80/54/52/569805452.db2.gz	KYIZVGATHRLFFT-FQEVSTJZSA-N	0	1	474.587	1.219	40	0		JDABMN
COC(=O)C[C@@]12C(=O)NCCN1[C@@H](c1ccc(C)cc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12	ZINC000169680762	569870623	/nfs/dbraw/zinc/87/06/23/569870623.db2.gz	YJFZFCJZWKCSLL-ZUVQJFRASA-N	0	1	461.518	1.898	40	0		JDABMN
COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCSc2nnc(C)[nH]2)C1	ZINC000222548216	569885554	/nfs/dbraw/zinc/88/55/54/569885554.db2.gz	BTHBNDBAQFNURL-OAHLLOKOSA-N	0	1	453.590	1.739	40	0		JDABMN
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCSc2nnc(C)[nH]2)C1	ZINC000222623858	569887203	/nfs/dbraw/zinc/88/72/03/569887203.db2.gz	MFXQWXBVLKIEPC-CYBMUJFWSA-N	0	1	457.553	1.570	40	0		JDABMN
Cc1nnc(SCCNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)[nH]1	ZINC000222782719	569890946	/nfs/dbraw/zinc/89/09/46/569890946.db2.gz	QWAREAJTECBVFR-UHFFFAOYSA-N	0	1	453.590	1.883	40	0		JDABMN
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1OC	ZINC000222788441	569891124	/nfs/dbraw/zinc/89/11/24/569891124.db2.gz	IMVNJTNECKRPMO-UHFFFAOYSA-N	0	1	462.572	1.715	40	0		JDABMN
CCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1	ZINC000223017678	569896885	/nfs/dbraw/zinc/89/68/85/569896885.db2.gz	BQYLTCROEFITRV-UHFFFAOYSA-N	0	1	455.558	1.804	40	0		JDABMN
COC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1Cl	ZINC000223578446	569916694	/nfs/dbraw/zinc/91/66/94/569916694.db2.gz	OQRQZOCOOIQKHC-UHFFFAOYSA-N	0	1	474.944	1.948	40	0		JDABMN
CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)c1	ZINC000224325729	569940654	/nfs/dbraw/zinc/94/06/54/569940654.db2.gz	ORYPYYUFBDXKNC-UHFFFAOYSA-N	0	1	477.587	1.622	40	0		JDABMN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3nnc(C)[nH]3)C2)cc1C	ZINC000226084603	570036708	/nfs/dbraw/zinc/03/67/08/570036708.db2.gz	RFUCGRZZOQMFFF-OAHLLOKOSA-N	0	1	453.590	1.739	40	0		JDABMN
CCN1CCN(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)CC1	ZINC000257215783	570112776	/nfs/dbraw/zinc/11/27/76/570112776.db2.gz	CRPOOGGXZKIGRA-GMAHTHKFSA-N	0	1	458.603	1.169	40	0		JDABMN
Cc1ccc2nc(CCC(=O)N3C[C@H](O)C[C@](C)(O)[C@@H](n4cnc5c4ncnc5N)C3)[nH]c2c1	ZINC000257218180	570113601	/nfs/dbraw/zinc/11/36/01/570113601.db2.gz	DCDYYZOAQXCQFA-UYFSRDTQSA-N	0	1	464.530	1.111	40	0		JDABMN
Cn1c2ncn([C@@H]3CCN(C(=O)CCc4nc5ccc(Cl)cc5[nH]4)C[C@@]3(C)O)c2c(=O)n(C)c1=O	ZINC000257240400	570120371	/nfs/dbraw/zinc/12/03/71/570120371.db2.gz	HTGQPNLXFOGRPT-WAIKUNEKSA-N	0	1	499.959	1.121	40	0		JDABMN
CN1CCN(c2cc(C(=O)N3CCOC[C@@]4(CN(c5cccc(F)c5)C(=O)O4)C3)ccn2)CC1	ZINC000257242565	570120939	/nfs/dbraw/zinc/12/09/39/570120939.db2.gz	IDDHCQQWVNYCGB-DEOSSOPVSA-N	0	1	469.517	1.841	40	0		JDABMN
CC1(C(=O)N2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)CCN(c2ncccn2)CC1	ZINC000257273148	570130600	/nfs/dbraw/zinc/13/06/00/570130600.db2.gz	NFLKIWVZKBERNH-AREMUKBSSA-N	0	1	464.614	1.869	40	0		JDABMN
CC1(C)C(=O)NCCN1C(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(CC(=O)N2CCCC2)CC1	ZINC000257279102	570132408	/nfs/dbraw/zinc/13/24/08/570132408.db2.gz	OFAJSQCUYQHYLM-OAQYLSRUSA-N	0	1	489.661	1.219	40	0		JDABMN
CC(C)(NC(=O)c1ccccc1)C(=O)N1CC[C@](O)(CN2CCN(c3ccccc3)CC2)C1	ZINC000257279847	570132711	/nfs/dbraw/zinc/13/27/11/570132711.db2.gz	OIKOXMYMCXOOQY-SANMLTNESA-N	0	1	450.583	1.981	40	0		JDABMN
CCN(CC)C(=O)CN1CCC2(CC1)C/C=C/Cc1ccccc1OCC(=O)NCCNC2=O	ZINC000257290854	570135814	/nfs/dbraw/zinc/13/58/14/570135814.db2.gz	QEPUGYSURRJKAS-BQYQJAHWSA-N	0	1	470.614	1.751	40	0		JDABMN
C[C@@]1(O)CC2(CCN(C(=O)CCCN3Cc4ccccc4C3)CC2)OC[C@H]1n1ccc(N)nc1=O	ZINC000257299211	570138153	/nfs/dbraw/zinc/13/81/53/570138153.db2.gz	RPDCLDSDLMRTTD-PXDATVDWSA-N	0	1	481.597	1.695	40	0		JDABMN
C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2Cl)C[C@H]1NC(=O)COCC(=O)[O-]	ZINC000257324190	570145702	/nfs/dbraw/zinc/14/57/02/570145702.db2.gz	WNPUJDRYQAVUPI-GNRVTEMESA-N	0	1	462.930	1.939	40	0		JDABMN
C[C@]1(O)COC2(CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)C[C@@H]1NS(C)(=O)=O	ZINC000257339278	570150309	/nfs/dbraw/zinc/15/03/09/570150309.db2.gz	ZBADXJUKNSWRTO-ICSRJNTNSA-N	0	1	466.535	1.280	40	0		JDABMN
COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCSc2nnc(C)[nH]2)C1	ZINC000260728487	570155479	/nfs/dbraw/zinc/15/54/79/570155479.db2.gz	BTHBNDBAQFNURL-HNNXBMFYSA-N	0	1	453.590	1.739	40	0		JDABMN
C[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1	ZINC000057773713	195360069	/nfs/dbraw/zinc/36/00/69/195360069.db2.gz	YDPLLWIBBYPMMV-SIKLNZKXSA-N	0	1	476.581	1.172	40	0		JDABMN
CCN1CCN([C@@H](c2nnnn2C[C@@H]2CCCO2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1	ZINC000019527956	521693177	/nfs/dbraw/zinc/69/31/77/521693177.db2.gz	FXVCQNNRVKXOGK-HRAATJIYSA-N	0	1	467.530	1.149	40	0		JDABMN
CCNC(=O)c1cc(S(=O)(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)ccc1OC	ZINC000020452489	521747223	/nfs/dbraw/zinc/74/72/23/521747223.db2.gz	KWFGLUUGYGEQFC-UHFFFAOYSA-N	0	1	485.584	1.941	40	0		JDABMN
COC(=O)c1ccc(CS(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1	ZINC000020493897	522049153	/nfs/dbraw/zinc/04/91/53/522049153.db2.gz	JSAIPGHEYIIMSP-UHFFFAOYSA-N	0	1	484.552	1.445	40	0		JDABMN
COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2nnn(CC(=O)NC3CCCC3)n2)cc1	ZINC000012485039	522159862	/nfs/dbraw/zinc/15/98/62/522159862.db2.gz	DMJXYKPHWADTKW-UHFFFAOYSA-N	0	1	484.538	1.986	40	0		JDABMN
COc1cc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N(C)CCc2ccccc2)cc(OC)c1	ZINC000020465815	522695101	/nfs/dbraw/zinc/69/51/01/522695101.db2.gz	CLRYXDGSXZPOOK-WZYRSQIMSA-N	0	1	459.543	1.489	40	0	biogenic,in-vitro	JDABMN
CN(CCc1ccccn1)[C@H]1[C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)cc2)O[C@@H](CO)[C@H]1O	ZINC000020465896	522967350	/nfs/dbraw/zinc/96/73/50/522967350.db2.gz	AVHIAWLNSXLIDT-FUMNGEBKSA-N	0	1	484.475	1.765	40	0	biogenic,in-vitro	JDABMN
CCn1nnc(-c2ccccc2NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1	ZINC000012485030	523760895	/nfs/dbraw/zinc/76/08/95/523760895.db2.gz	LTRTXUFSOHMEOE-UHFFFAOYSA-N	0	1	478.556	1.182	40	0		JDABMN
COc1ccccc1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCN(c3ccccc3OC)CC2)[C@H]1O	ZINC000020463832	524490218	/nfs/dbraw/zinc/49/02/18/524490218.db2.gz	VIUKOSWLHHEJOX-UUFXTFJOSA-N	0	1	455.555	1.469	40	0	biogenic,in-vitro	JDABMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)n1	ZINC000044838747	524590898	/nfs/dbraw/zinc/59/08/98/524590898.db2.gz	RSJDIVZNNWEWOX-MRXNPFEDSA-N	0	1	496.615	1.351	40	0		JDABMN
Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCN1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000022816540	525942290	/nfs/dbraw/zinc/94/22/90/525942290.db2.gz	NXINBWOTQSPJAS-UHFFFAOYSA-N	0	1	469.977	1.466	40	0		JDABMN
O=C(COc1ccccc1)NCCCN1CCN(CCCNC(=O)COc2ccccc2)CC1	ZINC000022585400	526983956	/nfs/dbraw/zinc/98/39/56/526983956.db2.gz	NJHIWUVNEASWIK-UHFFFAOYSA-N	0	1	468.598	1.775	40	0		JDABMN
CCN1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1	ZINC000019961928	555573051	/nfs/dbraw/zinc/57/30/51/555573051.db2.gz	RYUWQFDOILVGNB-KRWDZBQOSA-N	0	1	456.374	1.287	40	0		JDABMN
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(CC)CC3)cc2c1	ZINC000019522979	556351226	/nfs/dbraw/zinc/35/12/26/556351226.db2.gz	TWIAWMZBLMYHRJ-UGKGYDQZSA-N	0	1	451.575	1.983	40	0		JDABMN
CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C1	ZINC000030853937	556379117	/nfs/dbraw/zinc/37/91/17/556379117.db2.gz	PUZAOGQXNATLFE-OAHLLOKOSA-N	0	1	467.573	1.339	40	0		JDABMN
COC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@H]1c1ccccc1	ZINC000019818017	556384797	/nfs/dbraw/zinc/38/47/97/556384797.db2.gz	KRPPVKBQLOUHLI-RTWAWAEBSA-N	0	1	450.495	1.549	40	0		JDABMN
Cn1ccnc1CNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3OC(F)(F)F)[C@@H](O)[C@H]2O1	ZINC000225519916	560042171	/nfs/dbraw/zinc/04/21/71/560042171.db2.gz	BRESQAWNACJWKU-UULNXAQQSA-N	0	1	484.475	1.401	40	0	biogenic,in-vitro	JDABMN
CC(=O)N1CCC(N2CCC[C@H]2c2nc(-c3ccnc(N4CCC(C(N)=O)CC4)c3)no2)CC1	ZINC000035424652	560081100	/nfs/dbraw/zinc/08/11/00/560081100.db2.gz	ODFYKTMOEZSXKS-FQEVSTJZSA-N	0	1	467.574	1.981	40	0	biogenic,in-vitro	JDABMN
COC(=O)C[C@@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	ZINC000095115753	569722044	/nfs/dbraw/zinc/72/20/44/569722044.db2.gz	XIORALMPLAEYAS-AZXNSQLWSA-N	0	1	467.909	1.934	40	0		JDABMN
COC(=O)C[C@@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12	ZINC000095115755	569722076	/nfs/dbraw/zinc/72/20/76/569722076.db2.gz	IIMWOQANWNZMRW-AZXNSQLWSA-N	0	1	467.909	1.934	40	0		JDABMN
CCOC(=O)C1C(CN2CCC[C@@H]2C(=O)OC)=NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1	ZINC000036626118	569778864	/nfs/dbraw/zinc/77/88/64/569778864.db2.gz	JKEXNNYXSDSBNZ-YLJYHZDGSA-N	0	1	461.515	1.650	40	0		JDABMN
CC(=O)OC[C@H]1O[C@@H](OCc2ccccc2)[C@@H](OC(C)=O)[C@H](NC(=O)C(F)(F)F)[C@H]1OC(C)=O	ZINC000037246095	569781859	/nfs/dbraw/zinc/78/18/59/569781859.db2.gz	VINHSFCPOKEYLJ-ZSXDVEMLSA-N	0	1	491.415	1.402	40	0		JDABMN
COC(=O)C[C@@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12	ZINC000101452025	569797809	/nfs/dbraw/zinc/79/78/09/569797809.db2.gz	FRZXJZPCLKMHAP-CMCWBKRRSA-N	0	1	467.909	1.934	40	0		JDABMN
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(F)c1	ZINC000038754834	569806819	/nfs/dbraw/zinc/80/68/19/569806819.db2.gz	YGXAEKQJYNRTBL-UHFFFAOYSA-N	0	1	479.515	1.821	40	0		JDABMN
CNC(=O)c1cc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)ccc1OC	ZINC000038757136	569807372	/nfs/dbraw/zinc/80/73/72/569807372.db2.gz	VRHUYCJQIRDSBI-UHFFFAOYSA-N	0	1	483.568	1.649	40	0		JDABMN
CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c1	ZINC000224333569	569940947	/nfs/dbraw/zinc/94/09/47/569940947.db2.gz	VZJPJTJBZHDOTF-UHFFFAOYSA-N	0	1	477.587	1.622	40	0		JDABMN
O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1	ZINC000224334363	569941003	/nfs/dbraw/zinc/94/10/03/569941003.db2.gz	OEPCBEZGOJULKX-UHFFFAOYSA-N	0	1	473.477	1.723	40	0		JDABMN
CCN(CC(=O)NCCSc1nnc(C)[nH]1)S(=O)(=O)c1ccc(Br)cc1	ZINC000226054332	570034701	/nfs/dbraw/zinc/03/47/01/570034701.db2.gz	BTMSJYVSWQQKJH-UHFFFAOYSA-N	0	1	462.395	1.795	40	0		JDABMN
COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCSc2nnc(C)[nH]2)CC1	ZINC000226081240	570036504	/nfs/dbraw/zinc/03/65/04/570036504.db2.gz	KTQVWOQSPZGGPX-UHFFFAOYSA-N	0	1	453.590	1.739	40	0		JDABMN
COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12	ZINC000247808758	570069599	/nfs/dbraw/zinc/06/95/99/570069599.db2.gz	BJZQPCNUIPWTJI-ZSTWQFLISA-N	0	1	451.454	1.420	40	0		JDABMN
Cc1cc(C)n(CCOc2ccc(C[N@H+]3CC[C@@](O)(CNC(=O)c4cnc[nH]4)[C@H](O)C3)cc2)n1	ZINC000257202211	570108507	/nfs/dbraw/zinc/10/85/07/570108507.db2.gz	AKXKFWZNAWVOJR-ISKFKSNPSA-N	0	1	468.558	1.030	40	0		JDABMN
Cc1cc(C)n(CCOc2ccc(CN3CC[C@@](O)(CNC(=O)c4cnc[nH]4)[C@H](O)C3)cc2)n1	ZINC000257202211	570108508	/nfs/dbraw/zinc/10/85/08/570108508.db2.gz	AKXKFWZNAWVOJR-ISKFKSNPSA-N	0	1	468.558	1.030	40	0		JDABMN
Cc1cc2nc(CCC(=O)N3C[C@@H](n4cnc5c4ncnc5N)[C@](C)(O)C[C@H](O)C3)[nH]c2c(C)c1	ZINC000257209055	570110717	/nfs/dbraw/zinc/11/07/17/570110717.db2.gz	BOUAKAWAQIMOCC-KPNPRUKOSA-N	0	1	478.557	1.420	40	0		JDABMN
Cc1cc2nc(CCC(=O)N3C[C@H](O)C[C@](C)(O)[C@@H](n4cnc5c4ncnc5N)C3)[nH]c2c(C)c1	ZINC000257209056	570110734	/nfs/dbraw/zinc/11/07/34/570110734.db2.gz	BOUAKAWAQIMOCC-RLJZQAMKSA-N	0	1	478.557	1.420	40	0		JDABMN
CC(=O)N1CCN([C@H]2CC[N@@H+](Cc3cc(C(C)(C)C)ccc3OCC(=O)[O-])CC[C@@H]2O)CC1	ZINC000257209954	570111017	/nfs/dbraw/zinc/11/10/17/570111017.db2.gz	BSNPDCXLCWUSSL-VXKWHMMOSA-N	0	1	461.603	1.937	40	0		JDABMN
Cc1ccc2nc(CCC(=O)N3CCC4(CC3)C[C@H](n3ccc(=O)[nH]c3=O)[C@@](C)(O)CO4)[nH]c2c1	ZINC000257220018	570114139	/nfs/dbraw/zinc/11/41/39/570114139.db2.gz	DJEYNUGUPOOOOB-CYFREDJKSA-N	0	1	481.553	1.840	40	0		JDABMN
Cc1cc2nc(CCC(=O)N3CCC[C@]4(Cc5c(n(C)c(=O)n(C)c5=O)O4)CC3)[nH]c2c(C)c1	ZINC000257253584	570124366	/nfs/dbraw/zinc/12/43/66/570124366.db2.gz	JZMBTEQSAHYBTF-RUZDIDTESA-N	0	1	465.554	1.896	40	0		JDABMN
Cn1c2c(c(=O)n(C)c1=O)C[C@]1(CCCN(C(=O)CCc3nc4ccc(Cl)cc4[nH]3)CC1)O2	ZINC000257272964	570130574	/nfs/dbraw/zinc/13/05/74/570130574.db2.gz	NEQXXYLEOIMTHG-HSZRJFAPSA-N	0	1	471.945	1.933	40	0		JDABMN
COc1ccc(CN(C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)CCC(N)=O)cc1	ZINC000257298102	570137912	/nfs/dbraw/zinc/13/79/12/570137912.db2.gz	RKDOBJPANRXDAS-CHOVIJNXSA-N	0	1	459.518	1.597	40	0		JDABMN
Nc1nc2c(ncn2[C@H]2CN(C(=O)CCCc3nc4ccc(Cl)cc4[nH]3)C[C@@H]2O)c(N)n1	ZINC000257302088	570139093	/nfs/dbraw/zinc/13/90/93/570139093.db2.gz	SBLADZPKAVOLQG-KBPBESRZSA-N	0	1	455.910	1.288	40	0		JDABMN
NC(=O)CN1CC[C@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CCOCC3)C/C=C/C[C@@H]2C1	ZINC000257304414	570139717	/nfs/dbraw/zinc/13/97/17/570139717.db2.gz	SLNWVIGMYCISOT-GPTQEEJISA-N	0	1	468.598	1.153	40	0		JDABMN
O=C(c1ccc(-n2cccn2)nc1)N1CCN(Cc2ccccc2)C[C@@](O)(Cn2cccn2)C1	ZINC000257314027	570142718	/nfs/dbraw/zinc/14/27/18/570142718.db2.gz	UVBNBBAQKOBYCG-VWLOTQADSA-N	0	1	457.538	1.853	40	0		JDABMN
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3nnc(C)[nH]3)C2)c1	ZINC000260749279	570156493	/nfs/dbraw/zinc/15/64/93/570156493.db2.gz	UOISYLLNAMTZJH-AWEZNQCLSA-N	0	1	469.589	1.440	40	0		JDABMN
CCN1CCN(C(=O)c2nnc3n2CCN(C)C32CCN(Cc3ccc(F)cc3)CC2)CC1	ZINC000306129762	570178250	/nfs/dbraw/zinc/17/82/50/570178250.db2.gz	IMDXTPSGGZVMEW-UHFFFAOYSA-N	0	1	455.582	1.632	40	0		JDABMN
C[C@H](CO)Nc1nc(NCCN2CCN(C)CC2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329071511	570184031	/nfs/dbraw/zinc/18/40/31/570184031.db2.gz	ZQKZJFBQSATNMW-OAHLLOKOSA-N	0	1	454.497	1.338	40	0		JDABMN
CC(=O)OC[C@H]1O[C@@H](OCc2ccccc2)[C@@H](OC(C)=O)[C@@H](NC(=O)C(F)(F)F)[C@H]1OC(C)=O	ZINC000004565549	194392195	/nfs/dbraw/zinc/39/21/95/194392195.db2.gz	VINHSFCPOKEYLJ-HVMFNXBNSA-N	0	1	491.415	1.402	40	0		JDABMN
C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1	ZINC000057773727	195359745	/nfs/dbraw/zinc/35/97/45/195359745.db2.gz	YDPLLWIBBYPMMV-KNQAVFIVSA-N	0	1	476.581	1.172	40	0		JDABMN
CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)CC1	ZINC000020459927	521957923	/nfs/dbraw/zinc/95/79/23/521957923.db2.gz	IRKFMONTFBMXEF-UHFFFAOYSA-N	0	1	467.573	1.339	40	0		JDABMN
CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)CC1	ZINC000022526779	521958838	/nfs/dbraw/zinc/95/88/38/521958838.db2.gz	WESPUYVVQYELLR-UHFFFAOYSA-N	0	1	467.573	1.339	40	0		JDABMN
CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)C1	ZINC000022528667	521960754	/nfs/dbraw/zinc/96/07/54/521960754.db2.gz	OCFLJELMKSAOED-HNNXBMFYSA-N	0	1	467.573	1.339	40	0		JDABMN
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(F)cc1	ZINC000044842632	525153618	/nfs/dbraw/zinc/15/36/18/525153618.db2.gz	IPHDWAZBDISWOF-UHFFFAOYSA-N	0	1	479.515	1.821	40	0		JDABMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)n1	ZINC000020458934	525699892	/nfs/dbraw/zinc/69/98/92/525699892.db2.gz	COHMLWKGJGNDAH-HNNXBMFYSA-N	0	1	482.588	1.043	40	0		JDABMN
CCNC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)ccc1OC	ZINC000010008935	555591742	/nfs/dbraw/zinc/59/17/42/555591742.db2.gz	CQTAIRMCXNASHC-UHFFFAOYSA-N	0	1	450.469	1.819	40	0		JDABMN
CCN1CCN([C@H](c2nnnn2C[C@@H]2CCCO2)c2cc3cc(OC)c(OC)cc3[nH]c2=O)CC1	ZINC000020080699	555629386	/nfs/dbraw/zinc/62/93/86/555629386.db2.gz	MSLDKMRCUAEXAL-JTSKRJEESA-N	0	1	483.573	1.438	40	0		JDABMN
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(CC)CC3)cc2c1	ZINC000019522981	556351198	/nfs/dbraw/zinc/35/11/98/556351198.db2.gz	TWIAWMZBLMYHRJ-KNQAVFIVSA-N	0	1	451.575	1.983	40	0		JDABMN
CCN1CCN([C@H](c2nnnn2C[C@@H]2CCCO2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1	ZINC000019527957	556351989	/nfs/dbraw/zinc/35/19/89/556351989.db2.gz	FXVCQNNRVKXOGK-KKSFZXQISA-N	0	1	467.530	1.149	40	0		JDABMN
COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	ZINC000101452028	569797767	/nfs/dbraw/zinc/79/77/67/569797767.db2.gz	XIORALMPLAEYAS-VKDGWMQASA-N	0	1	467.909	1.934	40	0		JDABMN
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000038756040	569807303	/nfs/dbraw/zinc/80/73/03/569807303.db2.gz	WXTCLBQFDDFQMR-UHFFFAOYSA-N	0	1	472.504	1.666	40	0		JDABMN
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSc3nnc(C)[nH]3)CC2)cc1	ZINC000222575621	569886149	/nfs/dbraw/zinc/88/61/49/569886149.db2.gz	CQVCFXAIVYGZNX-UHFFFAOYSA-N	0	1	453.590	1.821	40	0		JDABMN
Cc1nnc(SCCNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)[nH]1	ZINC000222831191	569892113	/nfs/dbraw/zinc/89/21/13/569892113.db2.gz	KQEAAYJOLYBQQU-UHFFFAOYSA-N	0	1	475.980	1.075	40	0		JDABMN
COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1	ZINC000223149389	569901229	/nfs/dbraw/zinc/90/12/29/569901229.db2.gz	TYYHUDOIVJZVPH-UHFFFAOYSA-N	0	1	478.479	1.953	40	0		JDABMN
O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1	ZINC000224334256	569940994	/nfs/dbraw/zinc/94/09/94/569940994.db2.gz	XNKGNJWLBOYHHN-UHFFFAOYSA-N	0	1	457.478	1.843	40	0		JDABMN
COC(=O)c1cc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)ccc1C	ZINC000224659081	569952494	/nfs/dbraw/zinc/95/24/94/569952494.db2.gz	JEGOQGCLUATERE-UHFFFAOYSA-N	0	1	484.552	1.612	40	0		JDABMN
CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1	ZINC000408605561	569970870	/nfs/dbraw/zinc/97/08/70/569970870.db2.gz	NAKJRMQVXXYSQO-GFCCVEGCSA-N	0	1	452.485	1.805	40	0		JDABMN
COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c1	ZINC000408693195	570015922	/nfs/dbraw/zinc/01/59/22/570015922.db2.gz	KCKWFASMVYILCA-UHFFFAOYSA-N	0	1	492.506	1.542	40	0		JDABMN
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSc3nnc(C)[nH]3)CC2)cc1OC	ZINC000226074329	570036004	/nfs/dbraw/zinc/03/60/04/570036004.db2.gz	MOZJQPJOUXKWRT-UHFFFAOYSA-N	0	1	469.589	1.440	40	0		JDABMN
COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	ZINC000247808753	570069525	/nfs/dbraw/zinc/06/95/25/570069525.db2.gz	BJZQPCNUIPWTJI-FIXDAVPBSA-N	0	1	451.454	1.420	40	0		JDABMN
O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CCN(C4CCOCC4)C[C@@H]13)O2	ZINC000253408490	570097388	/nfs/dbraw/zinc/09/73/88/570097388.db2.gz	XZUIECROFNSXQI-ONTIZHBOSA-N	0	1	457.571	1.828	40	0		JDABMN
CC1(C)C(=O)NCCN1C(=O)CCC(=O)N1CCC[C@@H]1c1nnc(Cc2ccc(F)cc2)[nH]1	ZINC000257215744	570112743	/nfs/dbraw/zinc/11/27/43/570112743.db2.gz	CRLGMECUYSQSOV-QGZVFWFLSA-N	0	1	456.522	1.715	40	0		JDABMN
CC1(C)C(=O)NCCN1C(=O)CCC(=O)N1CCC[C@@H]1c1n[nH]c(Cc2ccc(F)cc2)n1	ZINC000257215744	570112744	/nfs/dbraw/zinc/11/27/44/570112744.db2.gz	CRLGMECUYSQSOV-QGZVFWFLSA-N	0	1	456.522	1.715	40	0		JDABMN
CCN1CCN(CC(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)CC1	ZINC000257260104	570126484	/nfs/dbraw/zinc/12/64/84/570126484.db2.gz	LBHRNQHDFQGFIE-URXFXBBRSA-N	0	1	489.636	1.223	40	0		JDABMN
C[C@@]1(O)CN(C(=O)CCc2nc3ccc(Cl)cc3[nH]2)CC[C@H]1n1cnc2c1nc(N)nc2N	ZINC000257260434	570126542	/nfs/dbraw/zinc/12/65/42/570126542.db2.gz	LCVGVYRAFHUXHG-SPLOXXLWSA-N	0	1	469.937	1.678	40	0		JDABMN
O=C([O-])COCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1	ZINC000257260457	570126572	/nfs/dbraw/zinc/12/65/72/570126572.db2.gz	LCXQWMXXGUVCES-YKBLPDKLSA-N	0	1	458.486	1.351	40	0		JDABMN
O=C([O-])COCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1	ZINC000257260457	570126573	/nfs/dbraw/zinc/12/65/73/570126573.db2.gz	LCXQWMXXGUVCES-YKBLPDKLSA-N	0	1	458.486	1.351	40	0		JDABMN
CCN1CCN(CC(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)CC1	ZINC000257261942	570127030	/nfs/dbraw/zinc/12/70/30/570127030.db2.gz	LJJUIPAFHFCICU-AREMUKBSSA-N	0	1	490.620	1.700	40	0		JDABMN
Cc1nc2ccc(CCC(=O)N(C)[C@@H]3CCC[C@@H](n4cnc5c4n(C)c(=O)n(C)c5=O)[C@@H]3O)cc2[nH]1	ZINC000257265698	570128209	/nfs/dbraw/zinc/12/82/09/570128209.db2.gz	LZWWQMWVBHFHLW-WOIUINJBSA-N	0	1	493.568	1.164	40	0		JDABMN
CC1(C(=O)N2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)CCN(c2ncccn2)CC1	ZINC000257273149	570130587	/nfs/dbraw/zinc/13/05/87/570130587.db2.gz	NFLKIWVZKBERNH-SANMLTNESA-N	0	1	464.614	1.869	40	0		JDABMN
CCn1cc(CN2CCC3(CC2)CCCC[C@H]2CN(C(C)=O)CC[C@H]2NC(=O)CNC3=O)cn1	ZINC000257285872	570134341	/nfs/dbraw/zinc/13/43/41/570134341.db2.gz	PJGVOTVOFWBLQJ-FCHUYYIVSA-N	0	1	472.634	1.529	40	0		JDABMN
NC(=O)C1CCN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3ccccc3)CC2)CC1	ZINC000257286574	570134669	/nfs/dbraw/zinc/13/46/69/570134669.db2.gz	PMBOSQYYLZEYTG-QHCPKHFHSA-N	0	1	470.614	1.882	40	0		JDABMN
Cc1cn([C@H]2CN(C(=O)CCc3nc4ccc(Cl)cc4[nH]3)C[C@H](O)C[C@]2(C)O)c(=O)[nH]c1=O	ZINC000257295412	570137064	/nfs/dbraw/zinc/13/70/64/570137064.db2.gz	QYFBRWWVKRDTNQ-UVQUFPMPSA-N	0	1	475.933	1.305	40	0		JDABMN
Cc1nc2ccc(CCC(=O)N3C[C@@H](n4cnc5c4ncnc5N)[C@](C)(O)C[C@H](O)C3)cc2[nH]1	ZINC000257318599	570144148	/nfs/dbraw/zinc/14/41/48/570144148.db2.gz	VORBASTUCVYDDQ-TUVUNVSASA-N	0	1	464.530	1.111	40	0		JDABMN
Cc1nc2ccc(CCC(=O)N(C)[C@H]3CC[C@@](O)(Cn4cnc5c4ncnc5N)[C@H](O)C3)cc2[nH]1	ZINC000257326220	570146391	/nfs/dbraw/zinc/14/63/91/570146391.db2.gz	WWIBRFCBOSGNEU-LSRZYVKLSA-N	0	1	478.557	1.329	40	0		JDABMN
C[C@@]1(O)CN(C(=O)CCCc2nc3ccc(F)cc3[nH]2)CC[C@H]1n1cnc2c1nc(N)nc2N	ZINC000257328757	570147087	/nfs/dbraw/zinc/14/70/87/570147087.db2.gz	XGZWLLKERBOZKA-IVZQSRNASA-N	0	1	467.509	1.553	40	0		JDABMN
CCN(CC)Cc1ccc(C(=O)N2CCC[C@H](c3c(S(C)(=O)=O)cnc4ncnn43)C2)o1	ZINC000057730150	195358750	/nfs/dbraw/zinc/35/87/50/195358750.db2.gz	ZYAUSTYBFQLIDL-HNNXBMFYSA-N	0	1	460.560	1.982	40	0		JDABMN
C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1	ZINC000057773724	195359957	/nfs/dbraw/zinc/35/99/57/195359957.db2.gz	YDPLLWIBBYPMMV-UGKGYDQZSA-N	0	1	476.581	1.172	40	0		JDABMN
COC(=O)C1C(CNCCc2ccc(S(N)(=O)=O)cc2)=NC(=O)N[C@@H]1c1ccc(C)cc1C	ZINC000020518274	522890711	/nfs/dbraw/zinc/89/07/11/522890711.db2.gz	BJWATKYBJVVBOB-OAQYLSRUSA-N	0	1	472.567	1.564	40	0		JDABMN
CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1)S(C)(=O)=O	ZINC000020493738	523636448	/nfs/dbraw/zinc/63/64/48/523636448.db2.gz	ONTTZSUCNFWPGD-UHFFFAOYSA-N	0	1	461.525	1.926	40	0		JDABMN
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1	ZINC000022535021	525153752	/nfs/dbraw/zinc/15/37/52/525153752.db2.gz	BSBPYBATNLZQJV-UHFFFAOYSA-N	0	1	461.525	1.682	40	0		JDABMN
Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1	ZINC000016024959	556115799	/nfs/dbraw/zinc/11/57/99/556115799.db2.gz	NSSXFQNLSYRBFB-UHFFFAOYSA-N	0	1	475.552	1.845	40	0		JDABMN
CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C1	ZINC000030853941	556378998	/nfs/dbraw/zinc/37/89/98/556378998.db2.gz	PUZAOGQXNATLFE-HNNXBMFYSA-N	0	1	467.573	1.339	40	0		JDABMN
CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1	ZINC000030858168	556380549	/nfs/dbraw/zinc/38/05/49/556380549.db2.gz	WLZRMBZTQKMMBW-UHFFFAOYSA-N	0	1	490.567	1.529	40	0		JDABMN
COC(=O)c1cccc(CN2CC3(C2)CN(Cc2cccc(C(=O)OC)c2)C[C@H]2C[C@@H](O)CN23)c1	ZINC000514290042	560030827	/nfs/dbraw/zinc/03/08/27/560030827.db2.gz	RWPKBCAMJMECSD-DNQXCXABSA-N	0	1	479.577	1.765	40	0	biogenic,in-vitro	JDABMN
O=C(C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3OC(F)(F)F)[C@@H](O)[C@H]2O1)N1CCOCC1	ZINC000225511312	560042342	/nfs/dbraw/zinc/04/23/42/560042342.db2.gz	LGCMLRGTJZXZIH-UZKILMIQSA-N	0	1	460.449	1.210	40	0	biogenic,in-vitro	JDABMN
CC(=O)N1CCC(N2CCC[C@H]2c2nc(-c3ccc(N4CCC(C(N)=O)CC4)nc3)no2)CC1	ZINC000035425334	560080283	/nfs/dbraw/zinc/08/02/83/560080283.db2.gz	UQUWDTFWQVNKOK-FQEVSTJZSA-N	0	1	467.574	1.981	40	0	biogenic,in-vitro	JDABMN
CCOC(=O)C[C@@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12	ZINC000095115759	569722056	/nfs/dbraw/zinc/72/20/56/569722056.db2.gz	SELFMECKQZVAPJ-OYSWMMLKSA-N	0	1	461.518	1.979	40	0		JDABMN
COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	ZINC000095115752	569722062	/nfs/dbraw/zinc/72/20/62/569722062.db2.gz	XIORALMPLAEYAS-XHOYROJHSA-N	0	1	467.909	1.934	40	0		JDABMN
CCOC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12	ZINC000101452043	569797750	/nfs/dbraw/zinc/79/77/50/569797750.db2.gz	SELFMECKQZVAPJ-MSZDEVHKSA-N	0	1	461.518	1.979	40	0		JDABMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)n1	ZINC000038752022	569806314	/nfs/dbraw/zinc/80/63/14/569806314.db2.gz	KQCBICRTEIXRRF-UHFFFAOYSA-N	0	1	496.615	1.351	40	0		JDABMN
CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1	ZINC000216407706	569878672	/nfs/dbraw/zinc/87/86/72/569878672.db2.gz	FQXCSBRNTWHVQW-UHFFFAOYSA-N	0	1	490.567	1.772	40	0		JDABMN
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3nnc(C)[nH]3)C2)c1	ZINC000222567977	569885954	/nfs/dbraw/zinc/88/59/54/569885954.db2.gz	UOISYLLNAMTZJH-CQSZACIVSA-N	0	1	469.589	1.440	40	0		JDABMN
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3nnc(C)[nH]3)C2)cc1	ZINC000222585883	569886331	/nfs/dbraw/zinc/88/63/31/569886331.db2.gz	QEBIYFUZAKLZCI-OAHLLOKOSA-N	0	1	453.590	1.821	40	0		JDABMN
O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1	ZINC000224326856	569940721	/nfs/dbraw/zinc/94/07/21/569940721.db2.gz	LXCAZUXRYMOJFV-UHFFFAOYSA-N	0	1	473.477	1.723	40	0		JDABMN
COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1Cl	ZINC000224327159	569940736	/nfs/dbraw/zinc/94/07/36/569940736.db2.gz	ZJXXYLSEPFSVNG-UHFFFAOYSA-N	0	1	453.952	1.486	40	0		JDABMN
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCSc3nnc(C)[nH]3)CC2)c1	ZINC000226078393	570036403	/nfs/dbraw/zinc/03/64/03/570036403.db2.gz	WVDFZPCYMSKGGF-UHFFFAOYSA-N	0	1	469.589	1.440	40	0		JDABMN
O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CCN(Cc4cnc[nH]4)C[C@@H]13)O2	ZINC000253408877	570097370	/nfs/dbraw/zinc/09/73/70/570097370.db2.gz	YWCZTAZEGHAZRX-ZJOUEHCJSA-N	0	1	451.527	1.349	40	0		JDABMN
CC1(C)C(=O)NCCN1C(=O)CCC(=O)N1CCC[C@H]1c1nnc(Cc2ccc(F)cc2)[nH]1	ZINC000257215743	570112753	/nfs/dbraw/zinc/11/27/53/570112753.db2.gz	CRLGMECUYSQSOV-KRWDZBQOSA-N	0	1	456.522	1.715	40	0		JDABMN
CC1(C)C(=O)NCCN1C(=O)CCC(=O)N1CCC[C@H]1c1n[nH]c(Cc2ccc(F)cc2)n1	ZINC000257215743	570112754	/nfs/dbraw/zinc/11/27/54/570112754.db2.gz	CRLGMECUYSQSOV-KRWDZBQOSA-N	0	1	456.522	1.715	40	0		JDABMN
Cc1ccc2nc(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cc(F)c(=O)[nH]c3=O)CO4)[nH]c2c1	ZINC000257274611	570131067	/nfs/dbraw/zinc/13/10/67/570131067.db2.gz	NLWFWJLNOKDKFA-NTKDMRAZSA-N	0	1	499.543	1.979	40	0		JDABMN
C[C@]1(O)COC2(CCN(C(=O)c3cc(-c4ccccc4F)[nH]n3)CC2)C[C@@H]1NS(C)(=O)=O	ZINC000257276526	570131650	/nfs/dbraw/zinc/13/16/50/570131650.db2.gz	NUCUDDWRRLASMK-ICSRJNTNSA-N	0	1	466.535	1.280	40	0		JDABMN
Cc1nc2ccc(CCC(=O)N3C[C@H](O)C[C@](C)(O)[C@@H](n4cnc5c4ncnc5N)C3)cc2[nH]1	ZINC000257318600	570144129	/nfs/dbraw/zinc/14/41/29/570144129.db2.gz	VORBASTUCVYDDQ-TWWFPWMWSA-N	0	1	464.530	1.111	40	0		JDABMN
Cc1cc2nc(CCC(=O)N3CC[C@@H](n4cnc5c4c(=O)n(C)c(=O)n5C)[C@](C)(O)C3)[nH]c2c(C)c1	ZINC000257331813	570148083	/nfs/dbraw/zinc/14/80/83/570148083.db2.gz	XUJOGFHMSLYDGV-CRICUBBOSA-N	0	1	493.568	1.084	40	0		JDABMN
CCOc1ccc(-c2cc(C(=O)N(C)[C@@H]3CC[C@@H]([NH+]4CCN(C(C)=O)CC4)[C@@H]3O)[nH]n2)cc1	ZINC000257332982	570148460	/nfs/dbraw/zinc/14/84/60/570148460.db2.gz	XZNPWEBHTWTLDH-DNVJHFABSA-N	0	1	455.559	1.603	40	0		JDABMN
CN(C)CC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCOCC2)C1	ZINC000257334246	570148863	/nfs/dbraw/zinc/14/88/63/570148863.db2.gz	YFDUWWNGCXTWTG-LPHOPBHVSA-N	0	1	468.392	1.856	40	0		JDABMN
CN1CCN(CCNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCCO)n2)CC1	ZINC000329066303	570183562	/nfs/dbraw/zinc/18/35/62/570183562.db2.gz	XZJBEWJTVICZSQ-UHFFFAOYSA-N	0	1	454.497	1.340	40	0		JDABMN