smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3)[N@H+](C)Cc3cccnc3)CC2)cc1O	ZINC000012155502	524024626	/nfs/dbraw/zinc/02/46/26/524024626.db2.gz	QUXKBBLLIDBBML-SANMLTNESA-N	2	0	445.607	4.751	50	0		IJAARP
Cc1ccc(C(=O)N(CCC[NH+](C)C)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c(C)c1	ZINC000012431378	526072456	/nfs/dbraw/zinc/07/24/56/526072456.db2.gz	BTSFHSXSLZDTOG-UHFFFAOYSA-N	2	0	447.667	4.577	50	0		IJAARP
CC[N@H+](Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)Cc1ccc(C)cc1	ZINC000034836525	555914128	/nfs/dbraw/zinc/91/41/28/555914128.db2.gz	WZSOFHFSIVXOFA-UHFFFAOYSA-N	2	0	449.618	4.792	50	0		IJAARP
CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1)C1CC[NH+](C)CC1	ZINC000012054402	556393427	/nfs/dbraw/zinc/39/34/27/556393427.db2.gz	NLKZWFYVJIYNJT-QFIPXVFZSA-N	2	0	445.651	4.803	50	0		IJAARP
O=C(CCC1CC[NH+](Cc2c[nH]c3ccccc23)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000015064426	556491745	/nfs/dbraw/zinc/49/17/45/556491745.db2.gz	OYKVHZMTYHYLAL-VWLOTQADSA-N	2	0	444.623	4.551	50	0		IJAARP
COCCN(Cc1ccc(OC(F)F)cc1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1	ZINC000011813806	556658112	/nfs/dbraw/zinc/65/81/12/556658112.db2.gz	DWJUWGSYTWVMLH-OAQYLSRUSA-N	2	0	444.566	4.616	50	0		IJAARP
CC(=O)c1cccc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1	ZINC000020293522	557005975	/nfs/dbraw/zinc/00/59/75/557005975.db2.gz	OVEGTUDLGMBOIS-VWLOTQADSA-N	2	0	425.661	4.832	50	0		IJAARP
COCc1cc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC	ZINC000012448178	522920605	/nfs/dbraw/zinc/92/06/05/522920605.db2.gz	MGZBZWNAJRCLKV-UHFFFAOYSA-N	2	0	437.628	4.893	50	0		IJAARP
COCC[N@H+](C/C=C/c1ccc(OC)cc1)CC1CC[NH+](Cc2ccccc2OC)CC1	ZINC000012385232	523639019	/nfs/dbraw/zinc/63/90/19/523639019.db2.gz	PNJPFKSKIDUWPD-VOTSOKGWSA-N	2	0	438.612	4.578	50	0		IJAARP
C[NH+]1CCC(c2ccc3c(c2)CSc2sccc2[C@@]3(O)C2CC[NH+](C)CC2)CC1	ZINC000096601942	556837399	/nfs/dbraw/zinc/83/73/99/556837399.db2.gz	AXJJYFQPNHSSAQ-XMMPIXPASA-N	2	0	428.667	4.741	50	0		IJAARP
CC(=O)c1cccc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)c1	ZINC000020293526	557005855	/nfs/dbraw/zinc/00/58/55/557005855.db2.gz	OVEGTUDLGMBOIS-RUZDIDTESA-N	2	0	425.661	4.832	50	0		IJAARP
CC(=O)Nc1ccc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1	ZINC000020472146	519715781	/nfs/dbraw/zinc/71/57/81/519715781.db2.gz	NODFZGJOKZYFKL-RUZDIDTESA-N	2	0	440.676	4.588	50	0		IJAARP
COc1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1	ZINC000012156003	523406374	/nfs/dbraw/zinc/40/63/74/523406374.db2.gz	ZKFHCRQVMVPCFG-UKKYDJSUSA-N	2	0	438.641	4.566	50	0		IJAARP
COCC[N@@H+](Cc1[nH]c2ccccc2c1C)CC1CC[NH+](Cc2ccccc2OC)CC1	ZINC000020541420	523735696	/nfs/dbraw/zinc/73/56/96/523735696.db2.gz	LPYWMDHZRZQODR-UHFFFAOYSA-N	2	0	435.612	4.846	50	0		IJAARP
COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3C)C2)cc1Cn1cccn1	ZINC000012200587	524003646	/nfs/dbraw/zinc/00/36/46/524003646.db2.gz	HMQFWKXMZNNIAV-RUZDIDTESA-N	2	0	446.639	4.635	50	0		IJAARP
COc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3)[N@H+](C)Cc3cccnc3)CC2)cc1O	ZINC000012155500	524024900	/nfs/dbraw/zinc/02/49/00/524024900.db2.gz	QUXKBBLLIDBBML-AREMUKBSSA-N	2	0	445.607	4.751	50	0		IJAARP
C[C@@H](CC[NH+]1CCC(c2nnc(SCC[NH+]3CCCCC3)n2C)CC1)c1ccccc1	ZINC000012281468	524482622	/nfs/dbraw/zinc/48/26/22/524482622.db2.gz	RVRRPBZMKBVAOZ-NRFANRHFSA-N	2	0	441.689	4.766	50	0		IJAARP
CC(=O)c1cccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1	ZINC000012301923	518420917	/nfs/dbraw/zinc/42/09/17/518420917.db2.gz	JLLGEFYVSXXRKY-GDLZYMKVSA-N	2	0	446.635	4.750	50	0		IJAARP
CCOc1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC	ZINC000012431141	520697588	/nfs/dbraw/zinc/69/75/88/520697588.db2.gz	QCWWUZSLXVMEJG-XMMPIXPASA-N	2	0	430.633	4.730	50	0		IJAARP
CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@H](c3cccs3)c3ccc(C)cc3)cc2)CC1	ZINC000012516154	521698655	/nfs/dbraw/zinc/69/86/55/521698655.db2.gz	FTBQSHZOTJSVTD-SANMLTNESA-N	2	0	448.636	4.516	50	0		IJAARP
O=C(CCC1CC[NH+](Cc2ccc(Cl)s2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000011813297	556356355	/nfs/dbraw/zinc/35/63/55/556356355.db2.gz	HQFLGVKXRRAHLP-NRFANRHFSA-N	2	0	446.060	4.784	50	0		IJAARP
COc1cc(C)c(C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1C	ZINC000015002654	556480513	/nfs/dbraw/zinc/48/05/13/556480513.db2.gz	PUTZKSOJSNOYFD-OAQYLSRUSA-N	2	0	440.657	4.670	50	0		IJAARP
CCOCc1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC	ZINC000015078514	556500192	/nfs/dbraw/zinc/50/01/92/556500192.db2.gz	ZKHALQUKJLZQRJ-AREMUKBSSA-N	2	0	444.660	4.867	50	0		IJAARP
CC1(C)CC(OC(=O)c2ccccc2C(=O)OC2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1	ZINC000004427504	556512615	/nfs/dbraw/zinc/51/26/15/556512615.db2.gz	IDMQTKKFMWPCMU-UHFFFAOYSA-N	2	0	444.616	4.619	50	0		IJAARP
CCOc1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC	ZINC000012431140	520697013	/nfs/dbraw/zinc/69/70/13/520697013.db2.gz	QCWWUZSLXVMEJG-DEOSSOPVSA-N	2	0	430.633	4.730	50	0		IJAARP
COc1ccc(/C=C/C[N@@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1	ZINC000012156010	523404552	/nfs/dbraw/zinc/40/45/52/523404552.db2.gz	ZKFHCRQVMVPCFG-LHXJMTLCSA-N	2	0	438.641	4.566	50	0		IJAARP
COc1ccc(CC[N@@H+](Cc2c[nH]nc2-c2cccc(F)c2)CC2CC[NH+](C)CC2)cc1	ZINC000012445793	523942189	/nfs/dbraw/zinc/94/21/89/523942189.db2.gz	XDLLDYINYQQACS-UHFFFAOYSA-N	2	0	436.575	4.611	50	0		IJAARP
CC[NH+]1CC2=C(O[C@]3(O)CC[N@@H+](CC)C[C@H]3[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1	ZINC000020028433	556967687	/nfs/dbraw/zinc/96/76/87/556967687.db2.gz	PYWLMPHRWUDRKH-AVXLBDNFSA-N	2	0	430.592	4.504	50	0		IJAARP
FC(F)Oc1ccc(Br)cc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1	ZINC000009534496	569545466	/nfs/dbraw/zinc/54/54/66/569545466.db2.gz	UGDIQOZDOJHDNE-UHFFFAOYSA-N	2	0	425.317	4.936	50	0		IJAARP
O=C(CCC1CC[NH+](C/C=C/c2ccccc2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000012583943	526408445	/nfs/dbraw/zinc/40/84/45/526408445.db2.gz	VMLPPBXRIXPTSZ-VYTBZZOSSA-N	2	0	431.624	4.583	50	0		IJAARP
COc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000011879275	556371651	/nfs/dbraw/zinc/37/16/51/556371651.db2.gz	WYYGNJXRTAGVRD-HSZRJFAPSA-N	2	0	447.019	4.644	50	0		IJAARP
CC[NH+]1CC2=C(O[C@]3(O)CC[N@@H+](CC)C[C@H]3[C@H]2c2ccccc2)/C(=C\c2ccccc2)C1	ZINC000230138951	569439229	/nfs/dbraw/zinc/43/92/29/569439229.db2.gz	PYWLMPHRWUDRKH-NESAKCKISA-N	2	0	430.592	4.504	50	0		IJAARP
COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3C)C2)cc1Cn1cccn1	ZINC000012200580	524003848	/nfs/dbraw/zinc/00/38/48/524003848.db2.gz	HMQFWKXMZNNIAV-VWLOTQADSA-N	2	0	446.639	4.635	50	0		IJAARP
Clc1cc2c(cc1C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](C3CCCC3)CC1)OCO2	ZINC000012748576	526930556	/nfs/dbraw/zinc/93/05/56/526930556.db2.gz	GEIOXSOUFFZXNC-NRFANRHFSA-N	2	0	435.008	4.704	50	0		IJAARP
COc1ccc(C[N@H+](CC(C)C)CC2CC[NH+](Cc3ccccc3OC)CC2)cc1O	ZINC000012073641	556396511	/nfs/dbraw/zinc/39/65/11/556396511.db2.gz	PYYLSEMCPWPASB-UHFFFAOYSA-N	2	0	426.601	4.780	50	0		IJAARP
CCOCc1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC	ZINC000015078512	556500207	/nfs/dbraw/zinc/50/02/07/556500207.db2.gz	ZKHALQUKJLZQRJ-SANMLTNESA-N	2	0	444.660	4.867	50	0		IJAARP
CC(C)CCN1CC[C@H]([N@@H+]2CCC[C@]3(CCC[NH+](Cc4ccccc4)C3)C2)CCC1=O	ZINC000039509773	556629625	/nfs/dbraw/zinc/62/96/25/556629625.db2.gz	YSAUPWXIHXWENX-VPUSJEBWSA-N	2	0	425.661	4.792	50	0		IJAARP
CC[NH+]1CC2=C(O[C@@]3(O)CC[N@@H+](CC)C[C@H]3[C@H]2c2ccccc2)/C(=C\c2ccccc2)C1	ZINC000252624950	569203073	/nfs/dbraw/zinc/20/30/73/569203073.db2.gz	PYWLMPHRWUDRKH-LLRLVMATSA-N	2	0	430.592	4.504	50	0		IJAARP
CC(=O)c1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)cs1	ZINC000012706862	518275032	/nfs/dbraw/zinc/27/50/32/518275032.db2.gz	PYKQBEAVHXRMMZ-HSZRJFAPSA-N	2	0	444.616	4.983	50	0		IJAARP
CC[N@@H+](Cc1cccn1-c1ccccn1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1	ZINC000012441064	521394954	/nfs/dbraw/zinc/39/49/54/521394954.db2.gz	QMBPNUFXIBNIBI-XMMPIXPASA-N	2	0	432.612	4.658	50	0		IJAARP
CCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)CC1	ZINC000011933696	556377183	/nfs/dbraw/zinc/37/71/83/556377183.db2.gz	CMGGAJCRTYIQHR-HSZRJFAPSA-N	2	0	435.612	4.887	50	0		IJAARP
c1cc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n(-c2ccccn2)c1	ZINC000055252778	556738865	/nfs/dbraw/zinc/73/88/65/556738865.db2.gz	WJYNYKYLGQDOCU-UHFFFAOYSA-N	2	0	429.612	4.924	50	0		IJAARP
Cc1ccc(-c2ccccc2C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)o1	ZINC000011662756	557236885	/nfs/dbraw/zinc/23/68/85/557236885.db2.gz	NDUMTRCQFDTDAN-JOCHJYFZSA-N	2	0	437.628	4.800	50	0		IJAARP
CC(=O)c1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)cs1	ZINC000012706858	518275376	/nfs/dbraw/zinc/27/53/76/518275376.db2.gz	PYKQBEAVHXRMMZ-QHCPKHFHSA-N	2	0	444.616	4.983	50	0		IJAARP
COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3ccc(OC)c(OC)c3Cl)CC2)cc1	ZINC000012198737	523949411	/nfs/dbraw/zinc/94/94/11/523949411.db2.gz	HBXANENNAGTEGM-UHFFFAOYSA-N	2	0	447.019	4.752	50	0		IJAARP
O=C(CCC1CC[NH+](C/C=C/c2ccccc2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000012583936	526408741	/nfs/dbraw/zinc/40/87/41/526408741.db2.gz	VMLPPBXRIXPTSZ-LDOPOZNOSA-N	2	0	431.624	4.583	50	0		IJAARP
CC(C)(C)c1cc(OC[C@@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc(C(C)(C)C)c1O	ZINC000004473944	555995851	/nfs/dbraw/zinc/99/58/51/555995851.db2.gz	AVPFIBQDFUEDQW-SFHVURJKSA-N	2	0	434.665	4.626	50	0		IJAARP
CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1)C1CC[NH+](C)CC1	ZINC000012054405	556393569	/nfs/dbraw/zinc/39/35/69/556393569.db2.gz	NLKZWFYVJIYNJT-JOCHJYFZSA-N	2	0	445.651	4.803	50	0		IJAARP
c1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n(-c2nccs2)c1	ZINC000014948995	556460174	/nfs/dbraw/zinc/46/01/74/556460174.db2.gz	PHRXMICIUOPZTR-HSZRJFAPSA-N	2	0	428.646	4.569	50	0		IJAARP
c1cc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n(-c2cccnc2)c1	ZINC000055284693	556739639	/nfs/dbraw/zinc/73/96/39/556739639.db2.gz	MTCTUUMAWUVVJQ-UHFFFAOYSA-N	2	0	429.612	4.924	50	0		IJAARP
CCCn1ncc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1C	ZINC000020513378	521672361	/nfs/dbraw/zinc/67/23/61/521672361.db2.gz	LDVSCPRIYRVWGN-DEOSSOPVSA-N	2	0	429.697	4.544	50	0		IJAARP
Cc1cc(C)cc(C(=O)N(CCC[NH+](C)C)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1	ZINC000012474908	524362408	/nfs/dbraw/zinc/36/24/08/524362408.db2.gz	BRLLBPNTQRSJOQ-UHFFFAOYSA-N	2	0	447.667	4.577	50	0		IJAARP
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000012788699	526656262	/nfs/dbraw/zinc/65/62/62/526656262.db2.gz	AHYDKWLHDDOCMX-UHFFFAOYSA-N	2	0	434.628	4.658	50	0		IJAARP
Cn1c2ccccc2nc1CN(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1	ZINC000020600967	527115711	/nfs/dbraw/zinc/11/57/11/527115711.db2.gz	RRQXEYZLLSAJMS-QHCPKHFHSA-N	2	0	437.676	4.516	50	0		IJAARP
C[NH+](C[C@H](O)COc1cccc(C[N@@H+](C)Cc2ccnc3ccccc23)c1)C1CCCCC1	ZINC000055153667	556736369	/nfs/dbraw/zinc/73/63/69/556736369.db2.gz	LCVAOUWFCHMFHF-VWLOTQADSA-N	2	0	447.623	4.871	50	0		IJAARP
Cc1ccccc1-c1ncc(C[N@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)cn1	ZINC000055199866	556737630	/nfs/dbraw/zinc/73/76/30/556737630.db2.gz	QUPBVSFLJCQOEY-UHFFFAOYSA-N	2	0	432.587	4.978	50	0		IJAARP
CC[NH+]1CC2=C(O[C@@]3(O)CC[N@@H+](CC)C[C@H]3[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1	ZINC000020028434	556967596	/nfs/dbraw/zinc/96/75/96/556967596.db2.gz	PYWLMPHRWUDRKH-QQAMGDFDSA-N	2	0	430.592	4.504	50	0		IJAARP
CC[NH+]1CC2=C(O[C@]3(O)CC[N@@H+](CC)C[C@H]3[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1	ZINC000229999495	557835072	/nfs/dbraw/zinc/83/50/72/557835072.db2.gz	PYWLMPHRWUDRKH-BNQDLGRVSA-N	2	0	430.592	4.504	50	0		IJAARP
COc1cccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1	ZINC000012577228	525923556	/nfs/dbraw/zinc/92/35/56/525923556.db2.gz	XNAAHOXFBDSHRM-NDEPHWFRSA-N	2	0	434.624	4.556	50	0		IJAARP
O=C(CCC1CC[NH+](Cc2cc3ccccc3o2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000011813536	556356870	/nfs/dbraw/zinc/35/68/70/556356870.db2.gz	WPKDDBGLLIRLCS-VWLOTQADSA-N	2	0	445.607	4.816	50	0		IJAARP
CC[N@@H+](Cc1cccn1-c1ccccn1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1	ZINC000012441062	521396312	/nfs/dbraw/zinc/39/63/12/521396312.db2.gz	QMBPNUFXIBNIBI-DEOSSOPVSA-N	2	0	432.612	4.658	50	0		IJAARP
COc1ccc(CC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)CC2CC[NH+](C)CC2)cc1	ZINC000012431803	523942328	/nfs/dbraw/zinc/94/23/28/523942328.db2.gz	HEMDTEGFGVFDMG-UHFFFAOYSA-N	2	0	446.595	4.664	50	0		IJAARP
COc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)cc1	ZINC000012049266	524013007	/nfs/dbraw/zinc/01/30/07/524013007.db2.gz	WUHJFXUBGRCYOE-MUUNZHRXSA-N	2	0	434.624	4.556	50	0		IJAARP
Fc1ccc(-n2cc(C[N@H+](C[C@H]3CCCO3)CC3CC[NH+](C4CCCC4)CC3)cn2)cc1	ZINC000012710254	526320047	/nfs/dbraw/zinc/32/00/47/526320047.db2.gz	QPTGQLRKAKLCFF-AREMUKBSSA-N	2	0	440.607	4.647	50	0		IJAARP
Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cccnc2)Cc2ccc3nonc3c2)CC1	ZINC000055119066	556735252	/nfs/dbraw/zinc/73/52/52/556735252.db2.gz	VOHRDDXIQJYDEQ-UHFFFAOYSA-N	2	0	441.579	4.841	50	0		IJAARP
CCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cc1CO	ZINC000012747425	520962543	/nfs/dbraw/zinc/96/25/43/520962543.db2.gz	VMEDEOJSWKIIMZ-QFIPXVFZSA-N	2	0	431.020	4.618	50	0		IJAARP
CCCn1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)c(C)n1	ZINC000012710487	521649584	/nfs/dbraw/zinc/64/95/84/521649584.db2.gz	BOZTYSDTRWVXGT-MHZLTWQESA-N	2	0	438.660	4.803	50	0		IJAARP
Clc1cc2c(cc1C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](C3CCCC3)CC1)OCO2	ZINC000012748581	526930844	/nfs/dbraw/zinc/93/08/44/526930844.db2.gz	GEIOXSOUFFZXNC-OAQYLSRUSA-N	2	0	435.008	4.704	50	0		IJAARP
COc1ccc(CC[N@@H+](Cc2cc(Cl)cc(OC)c2OC)CC2CC[NH+](C)CC2)cc1	ZINC000011817948	556360092	/nfs/dbraw/zinc/36/00/92/556360092.db2.gz	NYWIJVMZMJPWML-UHFFFAOYSA-N	2	0	447.019	4.752	50	0		IJAARP
Fc1cccc(-c2n[nH]cc2C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1	ZINC000015069233	556494610	/nfs/dbraw/zinc/49/46/10/556494610.db2.gz	UFGFLYXZJUNXIG-RUZDIDTESA-N	2	0	440.607	4.851	50	0		IJAARP
CC(C)Oc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1CO	ZINC000015078132	556499901	/nfs/dbraw/zinc/49/99/01/556499901.db2.gz	XPNPQFTYGPLTIZ-AREMUKBSSA-N	2	0	444.660	4.602	50	0		IJAARP
CCn1cc(C[NH+]2CCC(C(=O)NCCC[N@H+](C)Cc3ccccc3)CC2)c2ccccc21	ZINC000065060113	569095758	/nfs/dbraw/zinc/09/57/58/569095758.db2.gz	GCZWQTZWOZXPPZ-UHFFFAOYSA-N	2	0	446.639	4.512	50	0		IJAARP
CCCCN(CC[N@@H+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)C[NH+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1	ZINC000019327724	569318277	/nfs/dbraw/zinc/31/82/77/569318277.db2.gz	FUPHRLAFWMRUCX-UWHLTILDSA-N	2	0	426.476	4.975	50	0		IJAARP
CC(=O)c1cccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c1	ZINC000012578365	518422021	/nfs/dbraw/zinc/42/20/21/518422021.db2.gz	MWSLGZZIFXOGJA-AREMUKBSSA-N	2	0	438.587	4.922	50	0		IJAARP
C=Cc1ccc(C(=O)N(CCC[NH+](C)C)CC2CC[NH+](C3Cc4ccccc4C3)CC2)cc1	ZINC000012584205	519306976	/nfs/dbraw/zinc/30/69/76/519306976.db2.gz	XQTNAHHDJWJXMG-UHFFFAOYSA-N	2	0	445.651	4.603	50	0		IJAARP
C[N@@H+](Cc1ccc(Oc2ncccn2)cc1)CC1CC[NH+](CCc2ccc(F)cc2)CC1	ZINC000012704792	523273351	/nfs/dbraw/zinc/27/33/51/523273351.db2.gz	DCTXUKMKFMUOLV-UHFFFAOYSA-N	2	0	434.559	4.795	50	0		IJAARP
COCC[N@@H+](Cc1cccc2cccnc21)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1	ZINC000012719115	523753755	/nfs/dbraw/zinc/75/37/55/523753755.db2.gz	MPXAWGIETKTTSX-QFIPXVFZSA-N	2	0	429.608	4.563	50	0		IJAARP
COCC[N@@H+](Cc1cn(C)c2ccccc12)CC1CC[NH+](Cc2ccccc2OC)CC1	ZINC000012373419	523771472	/nfs/dbraw/zinc/77/14/72/523771472.db2.gz	OPRDIANULUCATF-UHFFFAOYSA-N	2	0	435.612	4.548	50	0		IJAARP
Cn1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(-c2ccccc2)n1	ZINC000011842451	556365849	/nfs/dbraw/zinc/36/58/49/556365849.db2.gz	JCSLDPHKODMWCC-AREMUKBSSA-N	2	0	436.644	4.723	50	0		IJAARP
COc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cnc(N(C)C)s2)CC(C)C)CC1	ZINC000012051528	556392474	/nfs/dbraw/zinc/39/24/74/556392474.db2.gz	XIKHLFADKSSCSC-UHFFFAOYSA-N	2	0	430.662	4.588	50	0		IJAARP
CC[N@@H+](Cc1cccn1-c1cccnc1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1	ZINC000019229555	556718104	/nfs/dbraw/zinc/71/81/04/556718104.db2.gz	IOCOPZOLONQLDT-DEOSSOPVSA-N	2	0	432.612	4.658	50	0		IJAARP
COc1cc(C)c(C[N@@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1C	ZINC000015002657	522191431	/nfs/dbraw/zinc/19/14/31/522191431.db2.gz	PUTZKSOJSNOYFD-NRFANRHFSA-N	2	0	440.657	4.670	50	0		IJAARP
O=C(CCC1CC[NH+](CCCc2ccccc2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000012593998	526409028	/nfs/dbraw/zinc/40/90/28/526409028.db2.gz	IWQWGCMWFKVNJN-HHHXNRCGSA-N	2	0	433.640	4.502	50	0		IJAARP
CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1)C1CC[NH+](C)CC1	ZINC000014967801	556466023	/nfs/dbraw/zinc/46/60/23/556466023.db2.gz	KYHCBCSKZVLRDV-HSZRJFAPSA-N	2	0	433.640	4.898	50	0		IJAARP
COCC[N@@H+](Cc1cccc2cnccc21)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1	ZINC000055098954	556734363	/nfs/dbraw/zinc/73/43/63/556734363.db2.gz	AJPDSHLCOANOTB-JOCHJYFZSA-N	2	0	429.608	4.563	50	0		IJAARP
Cc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3F)[N@@H+](C)Cc3cn(C)nc3C)CC2)o1	ZINC000015069310	568635112	/nfs/dbraw/zinc/63/51/12/568635112.db2.gz	OLBCFWCQUZGUKN-SANMLTNESA-N	2	0	438.591	4.724	50	0		IJAARP
CC(=O)c1cccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1	ZINC000012301922	518421081	/nfs/dbraw/zinc/42/10/81/518421081.db2.gz	JLLGEFYVSXXRKY-LJAQVGFWSA-N	2	0	446.635	4.750	50	0		IJAARP
CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H](c3cccs3)c3ccc(C)cc3)cc2)CC1	ZINC000012516156	521698055	/nfs/dbraw/zinc/69/80/55/521698055.db2.gz	FTBQSHZOTJSVTD-AREMUKBSSA-N	2	0	448.636	4.516	50	0		IJAARP
COc1cc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cc(Cl)c1OC	ZINC000012712193	522350422	/nfs/dbraw/zinc/35/04/22/522350422.db2.gz	CYGUGSOEEHZSCQ-UHFFFAOYSA-N	2	0	434.983	4.883	50	0		IJAARP
COc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)cc1O	ZINC000012710438	524013642	/nfs/dbraw/zinc/01/36/42/524013642.db2.gz	HBGOVGLKQAUXIJ-VWLOTQADSA-N	2	0	438.612	4.602	50	0		IJAARP
CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](CC)CC2)c1C[N@@H+](CC)Cc1ccccc1	ZINC000034836355	555914277	/nfs/dbraw/zinc/91/42/77/555914277.db2.gz	NVFLQFJVJABENQ-UHFFFAOYSA-N	2	0	449.618	4.738	50	0		IJAARP
Cn1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(-c2ccccc2)n1	ZINC000011842450	556365834	/nfs/dbraw/zinc/36/58/34/556365834.db2.gz	JCSLDPHKODMWCC-SANMLTNESA-N	2	0	436.644	4.723	50	0		IJAARP
CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1)C1CC[NH+](C)CC1	ZINC000014967797	556465979	/nfs/dbraw/zinc/46/59/79/556465979.db2.gz	KYHCBCSKZVLRDV-QHCPKHFHSA-N	2	0	433.640	4.898	50	0		IJAARP
COCC[N@@H+](Cc1cccc2cnccc21)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1	ZINC000055098952	556734194	/nfs/dbraw/zinc/73/41/94/556734194.db2.gz	AJPDSHLCOANOTB-QFIPXVFZSA-N	2	0	429.608	4.563	50	0		IJAARP
c1cc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n(-c2nccs2)c1	ZINC000055090492	556734297	/nfs/dbraw/zinc/73/42/97/556734297.db2.gz	FBLOFCAXJJTRPW-UHFFFAOYSA-N	2	0	435.641	4.986	50	0		IJAARP
COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)s3)C2)c1	ZINC000011816716	562979391	/nfs/dbraw/zinc/97/93/91/562979391.db2.gz	PWRAGLQNSKYOBG-VWLOTQADSA-N	2	0	428.642	4.560	50	0		IJAARP
CC(=O)c1cc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)cs1	ZINC000020599080	518275898	/nfs/dbraw/zinc/27/58/98/518275898.db2.gz	LZZYWXVMNWOJHY-JOCHJYFZSA-N	2	0	431.690	4.893	50	0		IJAARP
CC(=O)c1cc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)cs1	ZINC000020599079	518276578	/nfs/dbraw/zinc/27/65/78/518276578.db2.gz	LZZYWXVMNWOJHY-QFIPXVFZSA-N	2	0	431.690	4.893	50	0		IJAARP
CC[N@@H+](Cc1ccc(OC)c(COC)c1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1	ZINC000012507472	521322272	/nfs/dbraw/zinc/32/22/72/521322272.db2.gz	ZATXUMBDPARCMZ-DEOSSOPVSA-N	2	0	440.628	4.627	50	0		IJAARP
CC[N@@H+](Cc1ccc(OC)c(OC)c1OC)CC1CC[NH+](CCc2ccccc2C)CC1	ZINC000012303295	521324772	/nfs/dbraw/zinc/32/47/72/521324772.db2.gz	YRQMRRMULJJXEA-UHFFFAOYSA-N	2	0	440.628	4.797	50	0		IJAARP
COCc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)o1	ZINC000012588752	522970247	/nfs/dbraw/zinc/97/02/47/522970247.db2.gz	CMKOERGYWDEYDP-DEOSSOPVSA-N	2	0	426.601	4.628	50	0		IJAARP
C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)CC1=CCCCC1	ZINC000012757277	524053451	/nfs/dbraw/zinc/05/34/51/524053451.db2.gz	HWKAFDGGXALLAJ-UHFFFAOYSA-N	2	0	437.672	4.537	50	0		IJAARP
C[C@H](CC[NH+]1CCC(c2nnc(SCC[NH+]3CCCCC3)n2C)CC1)c1ccccc1	ZINC000012281469	524173348	/nfs/dbraw/zinc/17/33/48/524173348.db2.gz	RVRRPBZMKBVAOZ-OAQYLSRUSA-N	2	0	441.689	4.766	50	0		IJAARP
Cn1c2ccccc2nc1CN(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1	ZINC000020600968	527114841	/nfs/dbraw/zinc/11/48/41/527114841.db2.gz	RRQXEYZLLSAJMS-HSZRJFAPSA-N	2	0	437.676	4.516	50	0		IJAARP
c1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n(-c2nccs2)c1	ZINC000014948992	556460240	/nfs/dbraw/zinc/46/02/40/556460240.db2.gz	PHRXMICIUOPZTR-QHCPKHFHSA-N	2	0	428.646	4.569	50	0		IJAARP
COc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(C)c1C	ZINC000014976539	556468865	/nfs/dbraw/zinc/46/88/65/556468865.db2.gz	KVIVZUDUPUTTCK-QFIPXVFZSA-N	2	0	440.657	4.670	50	0		IJAARP
Cc1ccc([C@H](C)CC[NH+]2CCC(c3nnc(SCC[NH+]4CCCCC4)n3C)CC2)o1	ZINC000014983114	556471721	/nfs/dbraw/zinc/47/17/21/556471721.db2.gz	LGUTWROMXDUMPK-LJQANCHMSA-N	2	0	445.677	4.668	50	0		IJAARP
Fc1cccc(-c2n[nH]cc2C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1	ZINC000015069232	556494586	/nfs/dbraw/zinc/49/45/86/556494586.db2.gz	UFGFLYXZJUNXIG-VWLOTQADSA-N	2	0	440.607	4.851	50	0		IJAARP
CC(C)CCN1CC[C@H]([N@@H+]2CCC[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2)CCC1=O	ZINC000059322805	556797775	/nfs/dbraw/zinc/79/77/75/556797775.db2.gz	YSAUPWXIHXWENX-XNMGPUDCSA-N	2	0	425.661	4.792	50	0		IJAARP
CC(=O)Nc1ccc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1	ZINC000020472144	519715706	/nfs/dbraw/zinc/71/57/06/519715706.db2.gz	NODFZGJOKZYFKL-VWLOTQADSA-N	2	0	440.676	4.588	50	0		IJAARP
CCCn1ncc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)c1C	ZINC000020513381	521671899	/nfs/dbraw/zinc/67/18/99/521671899.db2.gz	LDVSCPRIYRVWGN-XMMPIXPASA-N	2	0	429.697	4.544	50	0		IJAARP
CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(C3CCCC3)s2)C1)C1CC[NH+](C)CC1	ZINC000012713179	523807875	/nfs/dbraw/zinc/80/78/75/523807875.db2.gz	MQQVIKINQFBGOF-FQEVSTJZSA-N	2	0	431.690	4.951	50	0		IJAARP
C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(N2CCCCC2)cc1	ZINC000012525032	525538705	/nfs/dbraw/zinc/53/87/05/525538705.db2.gz	INROXQRQIHMQOO-JOCHJYFZSA-N	2	0	434.628	4.780	50	0		IJAARP
Cc1ccc(-c2cccc(C[N@H+]3CCC[C@@H](CCC(=O)N(C)C4CC[NH+](C)CC4)C3)c2)o1	ZINC000012227433	525756795	/nfs/dbraw/zinc/75/67/95/525756795.db2.gz	ZTPGGXOQWWSIAW-QFIPXVFZSA-N	2	0	437.628	4.800	50	0		IJAARP
COc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000011879274	556371812	/nfs/dbraw/zinc/37/18/12/556371812.db2.gz	WYYGNJXRTAGVRD-QHCPKHFHSA-N	2	0	447.019	4.644	50	0		IJAARP
COc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(C)c1C	ZINC000014976534	556468776	/nfs/dbraw/zinc/46/87/76/556468776.db2.gz	KVIVZUDUPUTTCK-JOCHJYFZSA-N	2	0	440.657	4.670	50	0		IJAARP
CCCn1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)c(C)n1	ZINC000012710491	521649762	/nfs/dbraw/zinc/64/97/62/521649762.db2.gz	BOZTYSDTRWVXGT-HHHXNRCGSA-N	2	0	438.660	4.803	50	0		IJAARP
Cc1ccc(-c2cccc(C[N@H+]3CCC[C@H](CCC(=O)N(C)C4CC[NH+](C)CC4)C3)c2)o1	ZINC000012227442	525756465	/nfs/dbraw/zinc/75/64/65/525756465.db2.gz	ZTPGGXOQWWSIAW-JOCHJYFZSA-N	2	0	437.628	4.800	50	0		IJAARP
CC[NH+]1CC2=C(O[C@]3(O)CC[N@@H+](CC)C[C@@H]3[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1	ZINC000105416230	568905374	/nfs/dbraw/zinc/90/53/74/568905374.db2.gz	PYWLMPHRWUDRKH-MDDZELJASA-N	2	0	430.592	4.504	50	0		IJAARP
CCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cc1CO	ZINC000012747428	520960680	/nfs/dbraw/zinc/96/06/80/520960680.db2.gz	VMEDEOJSWKIIMZ-JOCHJYFZSA-N	2	0	431.020	4.618	50	0		IJAARP
C[N@H+](Cc1ccncc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cccc3c2OCO3)CC1	ZINC000012151712	523461549	/nfs/dbraw/zinc/46/15/49/523461549.db2.gz	ONLJLXQZTLVKPS-SANMLTNESA-N	2	0	443.591	4.766	50	0		IJAARP
Fc1ccc(-n2cc(C[N@H+](C[C@@H]3CCCO3)CC3CC[NH+](C4CCCC4)CC3)cn2)cc1	ZINC000012710250	526320027	/nfs/dbraw/zinc/32/00/27/526320027.db2.gz	QPTGQLRKAKLCFF-SANMLTNESA-N	2	0	440.607	4.647	50	0		IJAARP
Cc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3F)[N@@H+](C)Cc3cn(C)nc3C)CC2)o1	ZINC000015069312	568635375	/nfs/dbraw/zinc/63/53/75/568635375.db2.gz	OLBCFWCQUZGUKN-AREMUKBSSA-N	2	0	438.591	4.724	50	0		IJAARP
C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]Cc2ccc(Cl)s2)cc1	ZINC000011838479	556363251	/nfs/dbraw/zinc/36/32/51/556363251.db2.gz	WJBXZNPTDXCVCV-FQEVSTJZSA-N	2	0	431.001	4.563	50	0		IJAARP
COc1cc(OC)c(OC)cc1C[N@H+](C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1	ZINC000012055398	556393853	/nfs/dbraw/zinc/39/38/53/556393853.db2.gz	JTXBGJQFSRIQOW-UHFFFAOYSA-N	2	0	447.019	4.752	50	0		IJAARP
CC[NH+]1CC2=C(O[C@@]3(O)CC[N@@H+](CC)C[C@H]3[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1	ZINC000229999505	556434234	/nfs/dbraw/zinc/43/42/34/556434234.db2.gz	PYWLMPHRWUDRKH-MVISXJEUSA-N	2	0	430.592	4.504	50	0		IJAARP
CC(C)Oc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1CO	ZINC000015078131	556499920	/nfs/dbraw/zinc/49/99/20/556499920.db2.gz	XPNPQFTYGPLTIZ-SANMLTNESA-N	2	0	444.660	4.602	50	0		IJAARP
CC[N@@H+](Cc1cccn1-c1cccnc1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1	ZINC000019229556	556718144	/nfs/dbraw/zinc/71/81/44/556718144.db2.gz	IOCOPZOLONQLDT-XMMPIXPASA-N	2	0	432.612	4.658	50	0		IJAARP
C[N@H+](Cc1ccncc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2cccc3c2OCO3)CC1	ZINC000012151713	523465217	/nfs/dbraw/zinc/46/52/17/523465217.db2.gz	ONLJLXQZTLVKPS-AREMUKBSSA-N	2	0	443.591	4.766	50	0		IJAARP
COc1ccc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c(Cl)c1OC	ZINC000012717039	524002925	/nfs/dbraw/zinc/00/29/25/524002925.db2.gz	RYRZMMQCTJFDEB-UHFFFAOYSA-N	2	0	434.983	4.883	50	0		IJAARP
COc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)cc1O	ZINC000012710442	524013199	/nfs/dbraw/zinc/01/31/99/524013199.db2.gz	HBGOVGLKQAUXIJ-RUZDIDTESA-N	2	0	438.612	4.602	50	0		IJAARP
CC(C)(C)c1cc(OC[C@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc(C(C)(C)C)c1O	ZINC000004473946	555995867	/nfs/dbraw/zinc/99/58/67/555995867.db2.gz	AVPFIBQDFUEDQW-GOSISDBHSA-N	2	0	434.665	4.626	50	0		IJAARP
C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]Cc2ccc(Cl)s2)cc1	ZINC000011838477	556363276	/nfs/dbraw/zinc/36/32/76/556363276.db2.gz	WJBXZNPTDXCVCV-HXUWFJFHSA-N	2	0	431.001	4.563	50	0		IJAARP
Fc1ccccc1-n1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1	ZINC000014958122	556463038	/nfs/dbraw/zinc/46/30/38/556463038.db2.gz	UELXLJLQXNZWKK-XMMPIXPASA-N	2	0	440.607	4.647	50	0		IJAARP
CC(C)CCN1CC[C@@H]([N@@H+]2CCC[C@]3(CCC[NH+](Cc4ccccc4)C3)C2)CCC1=O	ZINC000039509775	556629370	/nfs/dbraw/zinc/62/93/70/556629370.db2.gz	YSAUPWXIHXWENX-BDYUSTAISA-N	2	0	425.661	4.792	50	0		IJAARP
COCCN(Cc1ccc(OC(F)F)cc1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1	ZINC000011813805	556658079	/nfs/dbraw/zinc/65/80/79/556658079.db2.gz	DWJUWGSYTWVMLH-NRFANRHFSA-N	2	0	444.566	4.616	50	0		IJAARP
OC1CC[NH+](Cc2ccc3c(c2)CN(Cc2cccc(Oc4ccccc4)c2)CCO3)CC1	ZINC000011815334	556658211	/nfs/dbraw/zinc/65/82/11/556658211.db2.gz	QSKHXZWOVHGSSL-UHFFFAOYSA-N	2	0	444.575	4.830	50	0		IJAARP
COCc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)o1	ZINC000012588759	522969070	/nfs/dbraw/zinc/96/90/70/522969070.db2.gz	CMKOERGYWDEYDP-XMMPIXPASA-N	2	0	426.601	4.628	50	0		IJAARP
COc1cccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1	ZINC000012577233	525925277	/nfs/dbraw/zinc/92/52/77/525925277.db2.gz	XNAAHOXFBDSHRM-MUUNZHRXSA-N	2	0	434.624	4.556	50	0		IJAARP
CSc1ccc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)cc1	ZINC000020119726	556987464	/nfs/dbraw/zinc/98/74/64/556987464.db2.gz	PZEMONXYVSIBEW-UHFFFAOYSA-N	2	0	438.685	4.612	50	0		IJAARP
Fc1ccc(-n2cccn2)c(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1	ZINC000096792294	557205095	/nfs/dbraw/zinc/20/50/95/557205095.db2.gz	ULYAXOCSZGGIKS-VWLOTQADSA-N	2	0	440.607	4.647	50	0		IJAARP
COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)s3)C2)c1	ZINC000011816717	562979444	/nfs/dbraw/zinc/97/94/44/562979444.db2.gz	PWRAGLQNSKYOBG-RUZDIDTESA-N	2	0	428.642	4.560	50	0		IJAARP
CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1	ZINC000012301865	521282704	/nfs/dbraw/zinc/28/27/04/521282704.db2.gz	AOTDXGUYZPPCSX-HSZRJFAPSA-N	2	0	432.612	4.862	50	0		IJAARP
CC[N@@H+](Cc1ccc(OC)c(COC)c1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1	ZINC000012507474	521322932	/nfs/dbraw/zinc/32/29/32/521322932.db2.gz	ZATXUMBDPARCMZ-XMMPIXPASA-N	2	0	440.628	4.627	50	0		IJAARP
CN1CCC([NH+]2CCC(C[N@H+](Cc3ccncc3)Cc3cccc(Cl)c3)CC2)CC1	ZINC000012434992	523766706	/nfs/dbraw/zinc/76/67/06/523766706.db2.gz	SKLFEAPWGXQLFM-UHFFFAOYSA-N	2	0	427.036	4.543	50	0		IJAARP
O=C(c1cccc(F)c1F)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1	ZINC000011662484	556343981	/nfs/dbraw/zinc/34/39/81/556343981.db2.gz	ARZNMIKTJGJYKX-HXUWFJFHSA-N	2	0	433.587	4.548	50	0		IJAARP
O=C(c1cccc(F)c1F)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1	ZINC000011662485	556344030	/nfs/dbraw/zinc/34/40/30/556344030.db2.gz	ARZNMIKTJGJYKX-FQEVSTJZSA-N	2	0	433.587	4.548	50	0		IJAARP
CCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)CC1	ZINC000011933697	556377378	/nfs/dbraw/zinc/37/73/78/556377378.db2.gz	CMGGAJCRTYIQHR-QHCPKHFHSA-N	2	0	435.612	4.887	50	0		IJAARP
COc1ccccc1C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000014978319	557351923	/nfs/dbraw/zinc/35/19/23/557351923.db2.gz	DBBLDKCWMBZUHA-HHHXNRCGSA-N	2	0	434.624	4.556	50	0		IJAARP
COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1	ZINC000089340316	568921243	/nfs/dbraw/zinc/92/12/43/568921243.db2.gz	JTHDTLRHGUCKSW-CBQGHPETSA-N	2	0	442.003	4.805	50	0		IJAARP
COc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3)[N@H+](C)Cc3cn(C)nc3C)CC2)cc1	ZINC000012128310	524024172	/nfs/dbraw/zinc/02/41/72/524024172.db2.gz	MOUWLLCWSPSWAS-NDEPHWFRSA-N	2	0	446.639	4.692	50	0		IJAARP
Fc1ccc(-c2n[nH]cc2C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000012317515	526314722	/nfs/dbraw/zinc/31/47/22/526314722.db2.gz	RPWWUWYKWALWHU-RUZDIDTESA-N	2	0	440.607	4.851	50	0		IJAARP
Fc1ccc(-c2n[nH]cc2C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000012317514	526315288	/nfs/dbraw/zinc/31/52/88/526315288.db2.gz	RPWWUWYKWALWHU-VWLOTQADSA-N	2	0	440.607	4.851	50	0		IJAARP
C[NH+](C[C@@H](O)COc1cccc(C[N@@H+](C)Cc2ccnc3ccccc23)c1)C1CCCCC1	ZINC000055153665	556736406	/nfs/dbraw/zinc/73/64/06/556736406.db2.gz	LCVAOUWFCHMFHF-RUZDIDTESA-N	2	0	447.623	4.871	50	0		IJAARP
Cc1cccc(C(=O)N(CCC[NH+](C)C)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1C	ZINC000012457584	524165543	/nfs/dbraw/zinc/16/55/43/524165543.db2.gz	LEUSMTBUFYZCIN-UHFFFAOYSA-N	2	0	447.667	4.577	50	0		IJAARP
C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(N2CCCCC2)cc1	ZINC000012525033	525463527	/nfs/dbraw/zinc/46/35/27/525463527.db2.gz	INROXQRQIHMQOO-QFIPXVFZSA-N	2	0	434.628	4.780	50	0		IJAARP
O=C(CCC1CC[NH+](CCCc2ccccc2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000012594004	526407880	/nfs/dbraw/zinc/40/78/80/526407880.db2.gz	IWQWGCMWFKVNJN-MHZLTWQESA-N	2	0	433.640	4.502	50	0		IJAARP
O=C(CCC1CC[NH+](Cc2cc3ccccc3o2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000011813539	556356845	/nfs/dbraw/zinc/35/68/45/556356845.db2.gz	WPKDDBGLLIRLCS-RUZDIDTESA-N	2	0	445.607	4.816	50	0		IJAARP
Cc1ccc([C@@H](C)CC[NH+]2CCC(c3nnc(SCC[NH+]4CCCCC4)n3C)CC2)o1	ZINC000014983110	556471736	/nfs/dbraw/zinc/47/17/36/556471736.db2.gz	LGUTWROMXDUMPK-IBGZPJMESA-N	2	0	445.677	4.668	50	0		IJAARP
O=C(CCC1CC[NH+](Cc2c[nH]c3ccccc23)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000015064425	556491723	/nfs/dbraw/zinc/49/17/23/556491723.db2.gz	OYKVHZMTYHYLAL-RUZDIDTESA-N	2	0	444.623	4.551	50	0		IJAARP
CC(C)CCN1CC[C@@H]([N@@H+]2CCC[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2)CCC1=O	ZINC000059322802	556797758	/nfs/dbraw/zinc/79/77/58/556797758.db2.gz	YSAUPWXIHXWENX-AHKZPQOWSA-N	2	0	425.661	4.792	50	0		IJAARP
Cc1ccc(-c2ccccc2C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)o1	ZINC000011662757	557237290	/nfs/dbraw/zinc/23/72/90/557237290.db2.gz	NDUMTRCQFDTDAN-QFIPXVFZSA-N	2	0	437.628	4.800	50	0		IJAARP
CC[NH+]1CC2=C(O[C@]3(O)CC[N@@H+](CC)C[C@@H]3[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1	ZINC000105416232	568905485	/nfs/dbraw/zinc/90/54/85/568905485.db2.gz	PYWLMPHRWUDRKH-HYVWFLNHSA-N	2	0	430.592	4.504	50	0		IJAARP
CC(=O)c1cccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c1	ZINC000012578358	518421520	/nfs/dbraw/zinc/42/15/20/518421520.db2.gz	MWSLGZZIFXOGJA-SANMLTNESA-N	2	0	438.587	4.922	50	0		IJAARP
COc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3)[N@H+](C)Cc3cn(C)nc3C)CC2)cc1	ZINC000012128304	524024030	/nfs/dbraw/zinc/02/40/30/524024030.db2.gz	MOUWLLCWSPSWAS-MUUNZHRXSA-N	2	0	446.639	4.692	50	0		IJAARP
Cc1c(Nc2ccc(C[NH2+]CCC[N@H+]3CCCC[C@@H]3C)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000013113461	525878912	/nfs/dbraw/zinc/87/89/12/525878912.db2.gz	FWQFLYLTQNFMFC-NRFANRHFSA-N	2	0	447.627	4.582	50	0		IJAARP
Fc1ccc(-n2cccn2)c(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1	ZINC000096792295	557205162	/nfs/dbraw/zinc/20/51/62/557205162.db2.gz	ULYAXOCSZGGIKS-RUZDIDTESA-N	2	0	440.607	4.647	50	0		IJAARP
COc1ccccc1C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000014978316	557351626	/nfs/dbraw/zinc/35/16/26/557351626.db2.gz	DBBLDKCWMBZUHA-MHZLTWQESA-N	2	0	434.624	4.556	50	0		IJAARP
CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccc(C3CCCC3)s2)C1)C1CC[NH+](C)CC1	ZINC000012713187	523808039	/nfs/dbraw/zinc/80/80/39/523808039.db2.gz	MQQVIKINQFBGOF-HXUWFJFHSA-N	2	0	431.690	4.951	50	0		IJAARP
Fc1ccccc1-n1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1	ZINC000014958118	556463084	/nfs/dbraw/zinc/46/30/84/556463084.db2.gz	UELXLJLQXNZWKK-DEOSSOPVSA-N	2	0	440.607	4.647	50	0		IJAARP
CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1	ZINC000012301864	521283324	/nfs/dbraw/zinc/28/33/24/521283324.db2.gz	AOTDXGUYZPPCSX-QHCPKHFHSA-N	2	0	432.612	4.862	50	0		IJAARP
O=C(CCC1CC[NH+](Cc2ccc(Cl)s2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000011813300	556356393	/nfs/dbraw/zinc/35/63/93/556356393.db2.gz	HQFLGVKXRRAHLP-OAQYLSRUSA-N	2	0	446.060	4.784	50	0		IJAARP
COc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cccn2-c2ncccn2)CC(C)C)CC1	ZINC000015077751	556499890	/nfs/dbraw/zinc/49/98/90/556499890.db2.gz	JGAHWUWEEIUFKR-UHFFFAOYSA-N	2	0	447.627	4.646	50	0		IJAARP
Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccnc2)Cc2cccc3nonc32)CC1	ZINC000055252882	556738854	/nfs/dbraw/zinc/73/88/54/556738854.db2.gz	LDJXPPLCBKYBLC-UHFFFAOYSA-N	2	0	441.579	4.841	50	0		IJAARP
Cc1ccccc1-c1ncc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cn1	ZINC000055280898	556739267	/nfs/dbraw/zinc/73/92/67/556739267.db2.gz	BWNVXASUCSTAQJ-UHFFFAOYSA-N	2	0	432.587	4.978	50	0		IJAARP
COCC[N@@H+](Cc1cccc2cccnc21)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1	ZINC000012719116	523752903	/nfs/dbraw/zinc/75/29/03/523752903.db2.gz	MPXAWGIETKTTSX-JOCHJYFZSA-N	2	0	429.608	4.563	50	0		IJAARP
Cc1c(Nc2ccc(C[NH2+]CCC[N@H+]3CCCC[C@H]3C)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000013113460	525878715	/nfs/dbraw/zinc/87/87/15/525878715.db2.gz	FWQFLYLTQNFMFC-OAQYLSRUSA-N	2	0	447.627	4.582	50	0		IJAARP
CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccc(C[NH+]3CCCC3)s2)CC1	ZINC000011816289	556358625	/nfs/dbraw/zinc/35/86/25/556358625.db2.gz	XNJWGEKSVBDBDY-UHFFFAOYSA-N	2	0	426.626	4.732	50	0		IJAARP
O=C1c2cc(OCC[NH+]3CCCCC3)ccc2-c2ccc(OCC[NH+]3CCCCC3)cc21	ZINC000013633256	556705360	/nfs/dbraw/zinc/70/53/60/556705360.db2.gz	WECMFRPBWSBCEU-UHFFFAOYSA-N	2	0	434.580	4.627	50	0		IJAARP
C[NH+]1CCC(c2ccc3c(c2)CSc2sccc2[C@]3(O)C2CC[NH+](C)CC2)CC1	ZINC000096601941	556837526	/nfs/dbraw/zinc/83/75/26/556837526.db2.gz	AXJJYFQPNHSSAQ-DEOSSOPVSA-N	2	0	428.667	4.741	50	0		IJAARP