smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CC(C)C	ZINC000009574384	717107079	/nfs/dbraw/zinc/10/70/79/717107079.db2.gz	GFARXLYFUBXJNZ-OAQYLSRUSA-N	1	0	400.624	5.115	1	30		HKEFRO
O=C(/C=C/c1ccc(C[N@H+](CCc2c[nH]c3ccccc23)C2CCCCC2)cc1)NO	ZINC000013528201	581101836	/nfs/dbraw/zinc/10/18/36/581101836.db2.gz	OXQSJNYJHWCSDM-CCEZHUSRSA-N	1	0	417.553	5.064	1	30		HKEFRO
COc1cc2cc(C(=O)C=C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC	ZINC000013818025	717109968	/nfs/dbraw/zinc/10/99/68/717109968.db2.gz	DACVVTXURVEDPJ-UHFFFAOYSA-N	1	0	422.570	5.468	1	30		HKEFRO
CCCCCCCCCCCCCCCCOC[C@@H](C[N+](C)(C)CCO)OC	ZINC000014232511	717109790	/nfs/dbraw/zinc/10/97/90/717109790.db2.gz	FSOCEZQAGMSHAE-XMMPIXPASA-N	1	0	402.684	5.568	1	30		HKEFRO
CCCCCCCCCCCCCCCCOC[C@H](C[N+](C)(C)CCO)OC	ZINC000014232515	717110095	/nfs/dbraw/zinc/11/00/95/717110095.db2.gz	FSOCEZQAGMSHAE-DEOSSOPVSA-N	1	0	402.684	5.568	1	30		HKEFRO
CCCCCCCCCCCCCCCC[C@H]1C[N+](C)(C)CCO[P@](C)(=O)O1	ZINC000014285761	717110188	/nfs/dbraw/zinc/11/01/88/717110188.db2.gz	CKDKKQUAOZZVAI-FIPFOOKPSA-N	1	0	418.623	7.173	1	30		HKEFRO
CCCCCCCCCCCCCCCC[C@H]1C[N+](C)(C)CCO[P@@](C)(=O)O1	ZINC000014285763	717109977	/nfs/dbraw/zinc/10/99/77/717109977.db2.gz	CKDKKQUAOZZVAI-NEKDWFFYSA-N	1	0	418.623	7.173	1	30		HKEFRO
CCCCCCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CCC(C)C	ZINC000014299815	717110214	/nfs/dbraw/zinc/11/02/14/717110214.db2.gz	VDTPFKYXCVUSEG-JOCHJYFZSA-N	1	0	414.651	5.505	1	30		HKEFRO
N#CC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)C2	ZINC000034885358	717124688	/nfs/dbraw/zinc/12/46/88/717124688.db2.gz	UTWPJJAQZQMWKS-UHFFFAOYSA-N	1	0	423.580	5.324	1	30		HKEFRO
COc1cc2cc(C(=O)C3=CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC	ZINC000036286918	717125302	/nfs/dbraw/zinc/12/53/02/717125302.db2.gz	UOILNRQOHGAVRN-UHFFFAOYSA-N	1	0	408.543	5.078	1	30		HKEFRO
CCCCCCCCCCCCCCCC[C@@H]1C[N+](C)(C)CCO[P@](C)(=O)O1	ZINC000036338614	717125338	/nfs/dbraw/zinc/12/53/38/717125338.db2.gz	CKDKKQUAOZZVAI-LXFBAYGMSA-N	1	0	418.623	7.173	1	30		HKEFRO
CCCCCCCCCCCCCCCC[C@@H]1C[N+](C)(C)CCO[P@@](C)(=O)O1	ZINC000036338615	717125207	/nfs/dbraw/zinc/12/52/07/717125207.db2.gz	CKDKKQUAOZZVAI-QDPGVEIFSA-N	1	0	418.623	7.173	1	30		HKEFRO
CCCCCCCCCCCCCCCCSC[C@@H](C[N+](C)(C)CCO)OC	ZINC000038143136	717125665	/nfs/dbraw/zinc/12/56/65/717125665.db2.gz	UWLSQFNVNHASBE-XMMPIXPASA-N	1	0	418.752	6.285	1	30		HKEFRO
CCCCCCCCCCCCCCCCSC[C@H](C[N+](C)(C)CCO)OC	ZINC000038143137	717125624	/nfs/dbraw/zinc/12/56/24/717125624.db2.gz	UWLSQFNVNHASBE-DEOSSOPVSA-N	1	0	418.752	6.285	1	30		HKEFRO
CCCCCCCCCCCCCCCCCCOCC[N+](C)(C)C[C@H](O)CO	ZINC000038143167	717125649	/nfs/dbraw/zinc/12/56/49/717125649.db2.gz	NKTMULHSCQCMGG-VWLOTQADSA-N	1	0	416.711	5.694	1	30		HKEFRO
CCCCCCCCCCCCCCCCCCOCC[N+](C)(C)C[C@@H](O)CO	ZINC000038143168	717125638	/nfs/dbraw/zinc/12/56/38/717125638.db2.gz	NKTMULHSCQCMGG-RUZDIDTESA-N	1	0	416.711	5.694	1	30		HKEFRO
CCCCCCCCCCOc1c(OC)cc(C(=O)OCC[N+](C)(C)C)cc1OC	ZINC000038153574	717125634	/nfs/dbraw/zinc/12/56/34/717125634.db2.gz	NGXYZHUTKZUOOO-UHFFFAOYSA-N	1	0	424.602	5.086	1	30		HKEFRO
CCCCCCCCCCCC[N+](C)(CCO)CCCCCCCCCCCC	ZINC000038158026	717125641	/nfs/dbraw/zinc/12/56/41/717125641.db2.gz	XYEVCZCWQFVWDJ-UHFFFAOYSA-N	1	0	412.767	8.267	1	30		HKEFRO
C#CC1=CC[C@H]([N@H+](CCC)CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1	ZINC000040420921	581093312	/nfs/dbraw/zinc/09/33/12/581093312.db2.gz	PWZPBZQTTHOCIS-MHZLTWQESA-N	1	0	414.593	5.688	1	30	in-vitro	HKEFRO
C#CC1=CC[C@@H]([N@H+](CCC)CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1	ZINC000040420923	581093363	/nfs/dbraw/zinc/09/33/63/581093363.db2.gz	PWZPBZQTTHOCIS-HHHXNRCGSA-N	1	0	414.593	5.688	1	30	in-vitro	HKEFRO
CCCCCCCCCCCC(=O)OCC[N+](CCCC)(CCCC)CCCC	ZINC000042965912	717128456	/nfs/dbraw/zinc/12/84/56/717128456.db2.gz	HRXXIBRTSXJBHE-UHFFFAOYSA-N	1	0	412.723	7.668	1	30		HKEFRO
C=CC(=O)OCCCCCCCCCCC[N+](C)(C)CCCCCCCCCC	ZINC000043023262	717128493	/nfs/dbraw/zinc/12/84/93/717128493.db2.gz	UWEIAJUZKXEODI-UHFFFAOYSA-N	1	0	410.707	7.444	1	30		HKEFRO
CCCCCCCCCCCCCCCCSC[C@H](COC)C[N+](C)(C)C	ZINC000043226694	717128416	/nfs/dbraw/zinc/12/84/16/717128416.db2.gz	MEYAOQWUKCGTOJ-DEOSSOPVSA-N	1	0	402.753	7.170	1	30		HKEFRO
CCCCCCCCCCCCCCCCSC[C@@H](COC)C[N+](C)(C)C	ZINC000043226696	717128495	/nfs/dbraw/zinc/12/84/95/717128495.db2.gz	MEYAOQWUKCGTOJ-XMMPIXPASA-N	1	0	402.753	7.170	1	30		HKEFRO
CCCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC	ZINC000043241653	717128483	/nfs/dbraw/zinc/12/84/83/717128483.db2.gz	HMTGGGCGIYRDTE-UHFFFAOYSA-N	1	0	424.602	5.086	1	30		HKEFRO
CCCCCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CCCCCC	ZINC000043242463	717128186	/nfs/dbraw/zinc/12/81/86/717128186.db2.gz	ZKARBSXYKNMUMW-JOCHJYFZSA-N	1	0	414.651	5.649	1	30		HKEFRO
CCCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CCCCCCCC	ZINC000043260194	717128434	/nfs/dbraw/zinc/12/84/34/717128434.db2.gz	DUILYFDKEZKYJF-JOCHJYFZSA-N	1	0	414.651	5.649	1	30		HKEFRO
CCCCCCCCCCCCCCCCOCCCOCCCC[N+](C)(C)C	ZINC000043693259	717129465	/nfs/dbraw/zinc/12/94/65/717129465.db2.gz	PEBQRXAGSNHKEN-UHFFFAOYSA-N	1	0	414.739	7.377	1	30		HKEFRO
CCCCCCCCCCCCCCCCOC[C@@H](COCC[N+](C)(C)C)OC	ZINC000043781020	717129470	/nfs/dbraw/zinc/12/94/70/717129470.db2.gz	BVLYTVOAHYTDIR-VWLOTQADSA-N	1	0	416.711	6.222	1	30		HKEFRO
CCCCCCCCCCCCCCCCOC[C@H](COCC[N+](C)(C)C)OC	ZINC000043781023	717129541	/nfs/dbraw/zinc/12/95/41/717129541.db2.gz	BVLYTVOAHYTDIR-RUZDIDTESA-N	1	0	416.711	6.222	1	30		HKEFRO
CCCCCCCCCCCCCCCCSC[C@@H](C[N+]1(C)C=CC=C1)OCC	ZINC000043799366	717129197	/nfs/dbraw/zinc/12/91/97/717129197.db2.gz	NCJXNRGTXMOVCA-AREMUKBSSA-N	1	0	424.759	8.094	1	30		HKEFRO
CCCCCCCCCCCCCCCCSC[C@H](C[N+]1(C)C=CC=C1)OCC	ZINC000043799368	717129373	/nfs/dbraw/zinc/12/93/73/717129373.db2.gz	NCJXNRGTXMOVCA-SANMLTNESA-N	1	0	424.759	8.094	1	30		HKEFRO
CCCCCCCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CC(C)C	ZINC000044280679	717129428	/nfs/dbraw/zinc/12/94/28/717129428.db2.gz	WEUUPONFBIMJBD-JOCHJYFZSA-N	1	0	414.651	5.505	1	30		HKEFRO
CCCCCCCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)C(C)C	ZINC000044281136	717129509	/nfs/dbraw/zinc/12/95/09/717129509.db2.gz	XXPZUGQEWZCTSC-OAQYLSRUSA-N	1	0	400.624	5.115	1	30		HKEFRO
CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCS	ZINC000044431222	717129936	/nfs/dbraw/zinc/12/99/36/717129936.db2.gz	RYYHGMHTPJQSCW-UHFFFAOYSA-O	1	0	400.781	8.424	1	30		HKEFRO
C1=C(CS/C(NC2CCCCCC2)=[NH+]\C2CCCCCC2)N2CCN=C2S1	ZINC000049563705	581091250	/nfs/dbraw/zinc/09/12/50/581091250.db2.gz	JCVDTZFSFHPHAJ-UHFFFAOYSA-N	1	0	406.665	5.371	1	30		HKEFRO
C1=C(CSC(NC2CCCCCCC2)=[NH+]C2CCCCC2)N2CCN=C2S1	ZINC000049850418	581091342	/nfs/dbraw/zinc/09/13/42/581091342.db2.gz	PIGQJSYRAJVXAR-UHFFFAOYSA-N	1	0	406.665	5.371	1	30		HKEFRO
CCCCCCCC[N+]1(CCC#Cc2cc(OC)c(OC)c(OC)c2)CCCCC1	ZINC000058506569	717130881	/nfs/dbraw/zinc/13/08/81/717130881.db2.gz	JWOWBAHFWMZAHX-UHFFFAOYSA-N	1	0	416.626	5.815	1	30		HKEFRO
CCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)OC)[N+](C)(C)C	ZINC000066098878	717133124	/nfs/dbraw/zinc/13/31/24/717133124.db2.gz	KACRYPMEYTUIBN-QFIPXVFZSA-O	1	0	413.667	5.222	1	30		HKEFRO
CCCCCCCCCCCCCCCCCCCC(=O)N1CC[N+](C)(C)CC1	ZINC000072120588	717133768	/nfs/dbraw/zinc/13/37/68/717133768.db2.gz	XKRRTZJLBBSLLX-UHFFFAOYSA-N	1	0	409.723	6.947	1	30		HKEFRO
CCCCCCCCCC[n+]1ccc(/C=C/c2c[nH]c3ccccc23)c2ccccc21	ZINC000072135721	558928815	/nfs/dbraw/zinc/92/88/15/558928815.db2.gz	AVTCVELATAALLZ-UHFFFAOYSA-O	1	0	411.613	7.920	1	30		HKEFRO
O=C(C[N+]12CCCc3cccc(c31)CCC2)c1ccc2ccc3cccc4ccc1c2c34	ZINC000072139399	717133655	/nfs/dbraw/zinc/13/36/55/717133655.db2.gz	XHJJZLWECBOCKD-UHFFFAOYSA-N	1	0	416.544	6.667	1	30		HKEFRO
CCCCCCCCCCCC(=O)c1ncc(CCSCCC[N+](C)(C)C)o1	ZINC000073224943	717134407	/nfs/dbraw/zinc/13/44/07/717134407.db2.gz	PLPZHEFHQPSTLA-UHFFFAOYSA-N	1	0	411.676	6.150	1	30		HKEFRO
CCCCCCCC(=O)c1ncc(CCCCCCSCCC[N+](C)(C)C)o1	ZINC000073240852	717134169	/nfs/dbraw/zinc/13/41/69/717134169.db2.gz	KOIPEAUYFWHPEY-UHFFFAOYSA-N	1	0	411.676	6.150	1	30		HKEFRO
C[N+]1(Cc2ccccc2)[C@@H]2CC[C@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000084596629	717136057	/nfs/dbraw/zinc/13/60/57/717136057.db2.gz	ZSWGXUNSYOUQRE-XZPWTZNTSA-N	1	0	421.608	6.474	1	30		HKEFRO
C=CCCCC[N+]1(C)[C@@H]2CC[C@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000084596631	717135788	/nfs/dbraw/zinc/13/57/88/717135788.db2.gz	CCXOXKSAHHQWSK-ICTORGKJSA-N	1	0	413.629	6.630	1	30		HKEFRO
C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCCC4)C[C@H]13)[C@]2([C@@H]([NH3+])C=O)[C@H]1CCC[C@H](CO)C1	ZINC000085544962	291282301	/nfs/dbraw/zinc/28/23/01/291282301.db2.gz	YUNPGXVBXWDGIP-ZTRDJSCOSA-N	1	0	413.646	5.116	1	30	biogenic,in-vitro	HKEFRO
CC1=C2C[C@@]34C[N@H+]5C[C@@]56CCC[C@H]6CC#CC[C@@]3(C)[C@]2(CC1)[C@H](C)CC41CCCC1	ZINC000085548113	291289710	/nfs/dbraw/zinc/28/97/10/291289710.db2.gz	DBNBNXKAZUWOBU-ZPGOTANMSA-N	1	0	403.654	6.731	1	30	biogenic,in-vitro	HKEFRO
CC1=C2C[C@]34CC[C@@H](C)[C@@]2(CC1)[C@]3(C)CC#CC[C@@H]1[C@H](CCCO)CC[C@@]12C[N@@H+]2C4	ZINC000085548199	291290002	/nfs/dbraw/zinc/29/00/02/291290002.db2.gz	HRDGEDNOAFFCQX-YLGWJMNJSA-N	1	0	407.642	5.560	1	30	biogenic,in-vitro	HKEFRO
CC1=C2C[C@]34CC[C@@H](C5CCCCC5)[C@@]2(CC1)[C@]3(C)CC#CC[C@H]1CCC[C@@]12C[N@@H+]2C4	ZINC000085548243	291290072	/nfs/dbraw/zinc/29/00/72/291290072.db2.gz	XQRWIFURTZPZGW-QZROAQNASA-N	1	0	417.681	7.122	1	30	biogenic,in-vitro	HKEFRO
CCCCCC[C@@H]1CC[C@@H]2CC3=C(CCC[C@H]4CC[NH+]=C(N)N4)C(=O)C[C@@]31C2(C)C	ZINC000085549653	291291571	/nfs/dbraw/zinc/29/15/71/291291571.db2.gz	WLDMEKAHOYZAFN-CWAZBZNHSA-N	1	0	413.650	5.516	1	30	biogenic,in-vitro	HKEFRO
C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@H]3CC[C@H]4C[C@@H]5CC[C@@H](CCO)[C@@H]5[C@@]4(C)[NH2+]3)=CC(C)=C2C1	ZINC000085550064	291281415	/nfs/dbraw/zinc/28/14/15/291281415.db2.gz	LEWDJBCDFFMSLS-GEKPDWRASA-N	1	0	423.685	6.571	1	30	biogenic,in-vitro	HKEFRO
C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@]34C=C[C@]5(CCCO)CC[C@@H](CC3)[C@@]5(C)[NH2+]4)=CC(C)=C2C1	ZINC000085550101	291281422	/nfs/dbraw/zinc/28/14/22/291281422.db2.gz	MUCSMWHRTAMSDE-VRCGQOBJSA-N	1	0	421.669	6.635	1	30	biogenic,in-vitro	HKEFRO
C=C(C)[C@@H]1CC[C@@]2(C)CC([C@]34CC[C@@H]5CC[C@](CCCO)(CC3)[C@]5(C)[NH2+]4)=CC(C)=C2C1	ZINC000085550104	291281421	/nfs/dbraw/zinc/28/14/21/291281421.db2.gz	BLFZCMUOXCMILN-DEVKDPKBSA-N	1	0	423.685	6.859	1	30	biogenic,in-vitro	HKEFRO
CCCCCCCCCCCCCCCCCCCC(=O)N1CCC[N+](C)(C)CC1	ZINC000095593051	717139239	/nfs/dbraw/zinc/13/92/39/717139239.db2.gz	PYZGVZVLNOQPDM-UHFFFAOYSA-N	1	0	423.750	7.337	1	30		HKEFRO
CCCCCCCCCCCCCCCCCC(=O)Nc1ccc([N+](C)(C)C)cc1	ZINC000095593383	717139310	/nfs/dbraw/zinc/13/93/10/717139310.db2.gz	AKKWBJYDDSGXHQ-UHFFFAOYSA-O	1	0	417.702	8.083	1	30		HKEFRO
CCCCCCCCCCCCCCS(=O)(=O)Nc1ccc([N+](C)(C)C)cc1	ZINC000095593443	717139162	/nfs/dbraw/zinc/13/91/62/717139162.db2.gz	PZRLUTZGFKYQTL-UHFFFAOYSA-N	1	0	411.676	6.326	1	30		HKEFRO
CCCCCCCCCCCCCCCCS(=O)(=O)N1CCC[N+](C)(C)CC1	ZINC000095594795	717139130	/nfs/dbraw/zinc/13/91/30/717139130.db2.gz	NTOZJHJDVJZCAP-UHFFFAOYSA-N	1	0	417.724	5.580	1	30		HKEFRO
CCCCCCCCCCCCCCCCCC(=O)NCC(C)(C)C[N+](C)(C)C	ZINC000096906264	717141545	/nfs/dbraw/zinc/14/15/45/717141545.db2.gz	OOVRLVKDHBGWFG-UHFFFAOYSA-O	1	0	411.739	7.097	1	30		HKEFRO
CCCCCCCCCCCCCC(=O)N(C)CCC[N+](C)(C)Cc1ccccc1	ZINC000096906274	717141578	/nfs/dbraw/zinc/14/15/78/717141578.db2.gz	KUJAVEMXPBBEOA-UHFFFAOYSA-N	1	0	417.702	6.813	1	30		HKEFRO
C=CC[N+](CC)(CC)CCN(C)C(=O)CCCCCCCCCCCCCCC	ZINC000096906277	717141544	/nfs/dbraw/zinc/14/15/44/717141544.db2.gz	LAUINOZUIXKFGW-UHFFFAOYSA-N	1	0	409.723	6.969	1	30		HKEFRO
CCCCCCCCCCCCCCCCS(=O)(=O)NCCC[N+](C)(C)C	ZINC000096932778	717141335	/nfs/dbraw/zinc/14/13/35/717141335.db2.gz	VPENQUCADDAHGH-UHFFFAOYSA-N	1	0	405.713	5.483	1	30		HKEFRO
CCCCCCCCCCCCCCCCS(=O)(=O)NCCC[N+](C)(C)CC	ZINC000096932779	717141515	/nfs/dbraw/zinc/14/15/15/717141515.db2.gz	LVKZUNYWQSWEDX-UHFFFAOYSA-N	1	0	419.740	5.874	1	30		HKEFRO
CCCCCCCCCCCCCCS(=O)(=O)NCC(C)(C)C[N+](C)(C)C	ZINC000096932780	717141579	/nfs/dbraw/zinc/14/15/79/717141579.db2.gz	ZRCKXQBEYOHIHI-UHFFFAOYSA-N	1	0	405.713	5.339	1	30		HKEFRO
CCCCCCCCCCCCCCS(=O)(=O)NCC(C)(C)C[N+](C)(C)CC	ZINC000096932781	717141386	/nfs/dbraw/zinc/14/13/86/717141386.db2.gz	BSBJCTWLQMIYHJ-UHFFFAOYSA-N	1	0	419.740	5.729	1	30		HKEFRO
CCCCCCCCCCCCCCS(=O)(=O)N(C)CC[N+](C)(CC)CC	ZINC000096932785	717141302	/nfs/dbraw/zinc/14/13/02/717141302.db2.gz	HWRIKRZMEPMOEU-UHFFFAOYSA-N	1	0	405.713	5.436	1	30		HKEFRO
C=CC[N+](C)(C)CCN(C)S(=O)(=O)CCCCCCCCCCCCCC	ZINC000096932792	717141361	/nfs/dbraw/zinc/14/13/61/717141361.db2.gz	UYFKDWVRCGUXNW-UHFFFAOYSA-N	1	0	403.697	5.212	1	30		HKEFRO
CCCCCCCCCCCCCCCCS(=O)(=O)N(C)CC[N+](C)(C)C	ZINC000096932793	717141609	/nfs/dbraw/zinc/14/16/09/717141609.db2.gz	NTUACFQFFCWGOR-UHFFFAOYSA-N	1	0	405.713	5.436	1	30		HKEFRO
CCCCCCCCCCCCCCCCS(=O)(=O)N(C)CC[N+](C)(C)CC	ZINC000096932794	717141567	/nfs/dbraw/zinc/14/15/67/717141567.db2.gz	MCHHEKFWRCQXEM-UHFFFAOYSA-N	1	0	419.740	5.826	1	30		HKEFRO
CCCCCCCCCCCCCCS(=O)(=O)N(C)CCC[N+](C)(C)CC	ZINC000096932797	717141519	/nfs/dbraw/zinc/14/15/19/717141519.db2.gz	LAYUXAOEDSMVTM-UHFFFAOYSA-N	1	0	405.713	5.436	1	30		HKEFRO
CCCCCCCCCCCCCCCCS(=O)(=O)N(C)CCC[N+](C)(C)C	ZINC000096932798	717141358	/nfs/dbraw/zinc/14/13/58/717141358.db2.gz	ILPYSSOCWOLYNB-UHFFFAOYSA-N	1	0	419.740	5.826	1	30		HKEFRO
CCCCCCCCCCCCCCS(=O)(=O)N(C)CC[N+](CC)(CC)CC	ZINC000096933719	717141616	/nfs/dbraw/zinc/14/16/16/717141616.db2.gz	NGTRHCRWOBRYMC-UHFFFAOYSA-N	1	0	419.740	5.826	1	30		HKEFRO
C[N+]1(Cc2ccccc2)[C@@H]2CC[C@H]1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000101504999	717144800	/nfs/dbraw/zinc/14/48/00/717144800.db2.gz	ZSWGXUNSYOUQRE-CSCMRWFXSA-N	1	0	421.608	6.474	1	30		HKEFRO
C[N+]1(Cc2ccccc2)[C@@H]2CC[C@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000101505000	717144838	/nfs/dbraw/zinc/14/48/38/717144838.db2.gz	ZSWGXUNSYOUQRE-HXNVKZSRSA-N	1	0	421.608	6.474	1	30		HKEFRO
C=CCCCC[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000101505030	717145231	/nfs/dbraw/zinc/14/52/31/717145231.db2.gz	CCXOXKSAHHQWSK-UTOWWEERSA-N	1	0	413.629	6.630	1	30		HKEFRO
C=CCCCC[N+]1(C)[C@@H]2CC[C@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000101505031	717145146	/nfs/dbraw/zinc/14/51/46/717145146.db2.gz	CCXOXKSAHHQWSK-ZESRPASISA-N	1	0	413.629	6.630	1	30		HKEFRO
CCCCCCCCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000101548026	717145149	/nfs/dbraw/zinc/14/51/49/717145149.db2.gz	OZRLDKGFFXKPJG-ISILISOKSA-N	1	0	414.742	8.663	1	30		HKEFRO
CCCCCCCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000101548033	717145196	/nfs/dbraw/zinc/14/51/96/717145196.db2.gz	GRRMWFAKRZOXKU-HNRBIFIRSA-N	1	0	400.715	8.273	1	30		HKEFRO
CCCCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)Cc3ccccc3)CC2)cc1	ZINC000102930589	717145849	/nfs/dbraw/zinc/14/58/49/717145849.db2.gz	FXOCWWWYLPHRCJ-ISILISOKSA-N	1	0	406.678	7.892	1	30		HKEFRO
CCCCCC[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000102965561	717146231	/nfs/dbraw/zinc/14/62/31/717146231.db2.gz	DVYOACVPIRTUFQ-UTOWWEERSA-N	1	0	415.645	6.854	1	30		HKEFRO
CCCCCC[N+]1(C)[C@@H]2CC[C@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000102965564	717146097	/nfs/dbraw/zinc/14/60/97/717146097.db2.gz	DVYOACVPIRTUFQ-ZESRPASISA-N	1	0	415.645	6.854	1	30		HKEFRO
CCCCCCCCCC(=O)c1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000103040758	717146210	/nfs/dbraw/zinc/14/62/10/717146210.db2.gz	KUXOVXCBQMWPIF-OGLKEZPNSA-N	1	0	400.671	7.523	1	30		HKEFRO
CCCCCCCCCCC(=O)c1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000103043318	717146205	/nfs/dbraw/zinc/14/62/05/717146205.db2.gz	VHDKVFLUCCEYNH-LDNJAJMQSA-N	1	0	414.698	7.913	1	30		HKEFRO
CCCCCCCCCCCCCCCCNc1c(NCC[N+](C)(C)C)c(=O)c1=O	ZINC000103244128	717146551	/nfs/dbraw/zinc/14/65/51/717146551.db2.gz	QBUFFDFYLMAUPT-UHFFFAOYSA-O	1	0	422.678	5.294	1	30		HKEFRO
CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1Cl	ZINC000169332821	717155601	/nfs/dbraw/zinc/15/56/01/717155601.db2.gz	GWYYWXATCLZJHC-UHFFFAOYSA-N	1	0	423.149	9.178	1	30		HKEFRO
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc([N+](=O)[O-])cc1	ZINC000169337873	717155854	/nfs/dbraw/zinc/15/58/54/717155854.db2.gz	OJUUSAWKHAXEFD-UHFFFAOYSA-N	1	0	405.647	7.653	1	30		HKEFRO
CCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)cc1Cl	ZINC000169337884	717155893	/nfs/dbraw/zinc/15/58/93/717155893.db2.gz	ZWQRJRCKMMMNDS-UHFFFAOYSA-N	1	0	401.486	8.271	1	30		HKEFRO
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(OC)c(OC)c1	ZINC000169337904	717155834	/nfs/dbraw/zinc/15/58/34/717155834.db2.gz	JXFXCYIYBHCTRF-UHFFFAOYSA-N	1	0	420.702	7.762	1	30		HKEFRO
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc2c(c1)OCO2	ZINC000169337913	717155812	/nfs/dbraw/zinc/15/58/12/717155812.db2.gz	JRBGRHDPQFNTNX-UHFFFAOYSA-N	1	0	404.659	7.473	1	30		HKEFRO
CCCCCCCCCCC(=O)c1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000253994617	717169404	/nfs/dbraw/zinc/16/94/04/717169404.db2.gz	VHDKVFLUCCEYNH-DUYHBEBVSA-N	1	0	414.698	7.913	1	30		HKEFRO
CCCCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)Cc3ccccc3)CC2)cc1	ZINC000254130660	717169842	/nfs/dbraw/zinc/16/98/42/717169842.db2.gz	FXOCWWWYLPHRCJ-OGESRWMOSA-N	1	0	406.678	7.892	1	30		HKEFRO
CCCCCCCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000254133943	717170277	/nfs/dbraw/zinc/17/02/77/717170277.db2.gz	GRRMWFAKRZOXKU-QVYRIUEQSA-N	1	0	400.715	8.273	1	30		HKEFRO
CCCCCCCCCC(=O)c1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000254134101	717170279	/nfs/dbraw/zinc/17/02/79/717170279.db2.gz	KUXOVXCBQMWPIF-YOCNBXQISA-N	1	0	400.671	7.523	1	30		HKEFRO
CCCCCCCCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000254134794	717170276	/nfs/dbraw/zinc/17/02/76/717170276.db2.gz	OZRLDKGFFXKPJG-OGESRWMOSA-N	1	0	414.742	8.663	1	30		HKEFRO
COc1cc2cc(C(=O)C3=CC[N@@+](C)(Cc4ccccc4)CC3)sc2cc1OC	ZINC000261174490	717178879	/nfs/dbraw/zinc/17/88/79/717178879.db2.gz	UOILNRQOHGAVRN-RUZDIDTESA-N	1	0	408.543	5.078	1	30		HKEFRO
COc1cc2cc(C(=O)C3=CC[N@+](C)(Cc4ccccc4)CC3)sc2cc1OC	ZINC000261174492	717179258	/nfs/dbraw/zinc/17/92/58/717179258.db2.gz	UOILNRQOHGAVRN-VWLOTQADSA-N	1	0	408.543	5.078	1	30		HKEFRO