smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(/C=[NH+]/[C@@H]2[C@@H]3CCC[C@H]2CC2=C3CCCC2)cc1	ZINC000000501071	563618827	/nfs/dbraw/zinc/61/88/27/563618827.db2.gz	AGNSXOBSVWJNTP-DRJNORDJSA-N	1	1	324.424	5.073	40	30		DKEBMO
C#CC[N@@H+](CC[C@H](C)CC(C)(C)C)CC[C@@H](C)CC(C)(C)C	ZINC000001693505	563842007	/nfs/dbraw/zinc/84/20/07/563842007.db2.gz	WFDZEJZHZZHLKP-KDURUIRLSA-N	1	1	307.566	5.846	40	30		DKEBMO
CCCCCCCCCC1=[NH+]C(C)(C)CN1c1ccccc1	ZINC000001768294	563295058	/nfs/dbraw/zinc/29/50/58/563295058.db2.gz	WXPQGTJXMUKMFT-UHFFFAOYSA-N	1	1	300.490	5.824	40	30		DKEBMO
CCOc1ccc(/[NH+]=C/C=C2/N(C)c3ccccc3C2(C)C)cc1	ZINC000003185179	180989860	/nfs/dbraw/zinc/98/98/60/180989860.db2.gz	PXHUEJKVEQLIQW-WOFUFUJRSA-N	1	1	320.436	5.099	40	30		DKEBMO
O=[N+]([O-])c1ccc(/C=[NH+]/[C@H]2[C@@H]3CCC[C@H]2CC2=C3CCCC2)cc1	ZINC000004844003	181161979	/nfs/dbraw/zinc/16/19/79/181161979.db2.gz	AGNSXOBSVWJNTP-FWISXMLOSA-N	1	1	324.424	5.073	40	30		DKEBMO
Cc1ccc(N/C(=[NH+]/c2ccc(C)cc2)c2ccccc2O)cc1	ZINC000005588205	181261345	/nfs/dbraw/zinc/26/13/45/181261345.db2.gz	SGDLSGKVDUDXRA-UHFFFAOYSA-N	1	1	316.404	5.199	40	30		DKEBMO
Cc1ccc(NC(=[NH+]c2ccccc2)c2ccc(Cl)cc2)cc1	ZINC000005588233	181261432	/nfs/dbraw/zinc/26/14/32/181261432.db2.gz	AKOGBZVCKDWJOY-UHFFFAOYSA-N	1	1	320.823	5.839	40	30		DKEBMO
c1ccc(N/C(=[NH+]\c2ccccc2)c2cccc3ccccc32)cc1	ZINC000005590891	181261012	/nfs/dbraw/zinc/26/10/12/181261012.db2.gz	BSSSZRKSMZMEIQ-UHFFFAOYSA-N	1	1	322.411	6.030	40	30		DKEBMO
CC(C)c1ccccc1Oc1ccccc1/N=C1/CC[N@@H+](C)C1	ZINC000017064231	182074085	/nfs/dbraw/zinc/07/40/85/182074085.db2.gz	XOAORAZSHRYBHP-PGMHBOJBSA-N	1	1	308.425	5.010	40	30		DKEBMO
CC(C)c1ccccc1Oc1ccccc1/N=C1/CC[N@H+](C)C1	ZINC000017064231	182074084	/nfs/dbraw/zinc/07/40/84/182074084.db2.gz	XOAORAZSHRYBHP-PGMHBOJBSA-N	1	1	308.425	5.010	40	30		DKEBMO
C[C@@H](Nc1ccccc1)/C(Nc1ccccc1)=[NH+]\c1ccccc1	ZINC000017140245	182076939	/nfs/dbraw/zinc/07/69/39/182076939.db2.gz	OVENJBDUDLAIHM-QGZVFWFLSA-N	1	1	315.420	5.329	40	30		DKEBMO
C[C@H](Nc1ccccc1)/C(Nc1ccccc1)=[NH+]\c1ccccc1	ZINC000017140247	182077114	/nfs/dbraw/zinc/07/71/14/182077114.db2.gz	OVENJBDUDLAIHM-KRWDZBQOSA-N	1	1	315.420	5.329	40	30		DKEBMO
CC1(C)CC(Nc2ccccc2)=C/C(=[NH+]/c2ccccc2)S1	ZINC000017142937	182076996	/nfs/dbraw/zinc/07/69/96/182076996.db2.gz	QTTIYHVOGGDRHF-UZYVYHOESA-N	1	1	308.450	5.628	40	30		DKEBMO
CCSC(Nc1ccc(Oc2ccc(Cl)cc2)cc1)=[NH+]C	ZINC000017780214	521695539	/nfs/dbraw/zinc/69/55/39/521695539.db2.gz	OZRQVKMZVPFEMS-UHFFFAOYSA-N	1	1	320.845	5.283	40	30		DKEBMO
FC(F)(F)c1ccc(/C=[NH+]/C23CC4CC(CC(C4)C2)C3)cc1	ZINC000018044640	182090270	/nfs/dbraw/zinc/09/02/70/182090270.db2.gz	SNHRBGUCTQBQPK-SSDVNMTOSA-N	1	1	307.359	5.093	40	30		DKEBMO
FC(F)(F)c1cccc(/C=[NH+]/C23CC4CC(CC(C4)C2)C3)c1	ZINC000018127988	182093715	/nfs/dbraw/zinc/09/37/15/182093715.db2.gz	XYIRUPKPWGZIGW-SSDVNMTOSA-N	1	1	307.359	5.093	40	30		DKEBMO
C[C@@H](C/C=[NH+]\CC/N=C/C[C@@H](C)CC(C)(C)C)CC(C)(C)C	ZINC000022796498	182334924	/nfs/dbraw/zinc/33/49/24/182334924.db2.gz	XPDSARUMAVQAKY-KBMCMPRBSA-N	1	1	308.554	6.053	40	30		DKEBMO
Cc1cc(NN=Cc2ccc(C(C)C)cc2)c2ccccc2[nH+]1	ZINC000041127775	183169633	/nfs/dbraw/zinc/16/96/33/183169633.db2.gz	ZRAHKXKLWRLTKT-FYJGNVAPSA-N	1	1	303.409	5.113	40	30		DKEBMO
Cc1cc(NN=Cc2ccc(C(C)(C)C)cc2)c2ccccc2[nH+]1	ZINC000041127777	183169769	/nfs/dbraw/zinc/16/97/69/183169769.db2.gz	KVHJWZXYFHJFOE-HYARGMPZSA-N	1	1	317.436	5.287	40	30		DKEBMO
C=C1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)C[N@H+]2Cc1ccccc1	ZINC000095951337	563822238	/nfs/dbraw/zinc/82/22/38/563822238.db2.gz	VDNOLQQAMPQTRK-DNVJHFABSA-N	1	1	317.476	5.401	40	30	biogenic	DKEBMO
C=C1CCCC[C@H]2[C@H]1[C@@H](c1ccccc1)C[N@H+]2Cc1ccccc1	ZINC000095951338	563822226	/nfs/dbraw/zinc/82/22/26/563822226.db2.gz	VDNOLQQAMPQTRK-XPWALMASSA-N	1	1	317.476	5.401	40	30	biogenic	DKEBMO
CCCCCCCC[C@@H](C[NH+]1CCCCC1)N1CCCCC1	ZINC000100933369	563554700	/nfs/dbraw/zinc/55/47/00/563554700.db2.gz	PTTRRMZSTPOWBQ-FQEVSTJZSA-N	1	1	308.554	5.077	40	30		DKEBMO
CCCCCCCC[C@H](C[NH+]1CCCCC1)N1CCCCC1	ZINC000100933372	563554777	/nfs/dbraw/zinc/55/47/77/563554777.db2.gz	PTTRRMZSTPOWBQ-HXUWFJFHSA-N	1	1	308.554	5.077	40	30		DKEBMO
CCCCCCCCCC[C@@H](C[NH+]1CCCC1)N1CCCC1	ZINC000100933374	563554732	/nfs/dbraw/zinc/55/47/32/563554732.db2.gz	SSQWWINRSYZEQA-FQEVSTJZSA-N	1	1	308.554	5.077	40	30		DKEBMO
CCCCCCCCCC[C@H](C[NH+]1CCCC1)N1CCCC1	ZINC000100933375	563554860	/nfs/dbraw/zinc/55/48/60/563554860.db2.gz	SSQWWINRSYZEQA-HXUWFJFHSA-N	1	1	308.554	5.077	40	30		DKEBMO
CCc1[nH+]c(C)cn1[C@@H]1CCCCCCCCCC/C1=N/O	ZINC000100964986	563554747	/nfs/dbraw/zinc/55/47/47/563554747.db2.gz	SFJRISMOOBVMPN-XUMLYMLNSA-N	1	1	305.466	5.040	40	30		DKEBMO
CCc1[nH+]c(C)cn1[C@H]1CCCCCCCCCC/C1=N/O	ZINC000100964989	563554832	/nfs/dbraw/zinc/55/48/32/563554832.db2.gz	SFJRISMOOBVMPN-IMGOXIFKSA-N	1	1	305.466	5.040	40	30		DKEBMO
CCCCCCCCCCN1CCC([NH+]2CCCCC2)CC1	ZINC000104157774	563563025	/nfs/dbraw/zinc/56/30/25/563563025.db2.gz	GDVGCKGJWXSONI-UHFFFAOYSA-N	1	1	308.554	5.077	40	30		DKEBMO
CC(C)c1ccccc1Oc1ccccc1/N=C1\CC[N@@H+](C)C1	ZINC000104193467	257232460	/nfs/dbraw/zinc/23/24/60/257232460.db2.gz	XOAORAZSHRYBHP-LTGZKZEYSA-N	1	1	308.425	5.010	40	30		DKEBMO
CC(C)c1ccccc1Oc1ccccc1/N=C1\CC[N@H+](C)C1	ZINC000104193467	257232458	/nfs/dbraw/zinc/23/24/58/257232458.db2.gz	XOAORAZSHRYBHP-LTGZKZEYSA-N	1	1	308.425	5.010	40	30		DKEBMO
CCCCCCCCCCCCCCCC[N+](C)(C)CCN	ZINC000104201397	257232571	/nfs/dbraw/zinc/23/25/71/257232571.db2.gz	XKSUPNGMXWTRGN-UHFFFAOYSA-N	1	1	313.594	5.503	40	30		DKEBMO
CC1(C)CC(Nc2ccccc2)=C/C(=[NH+]\c2ccccc2)S1	ZINC000104246877	563563347	/nfs/dbraw/zinc/56/33/47/563563347.db2.gz	QTTIYHVOGGDRHF-DYTRJAOYSA-N	1	1	308.450	5.628	40	30		DKEBMO
C[C@@H](C/C=[NH+]\CC/N=C\C[C@@H](C)CC(C)(C)C)CC(C)(C)C	ZINC000104259726	563563702	/nfs/dbraw/zinc/56/37/02/563563702.db2.gz	XPDSARUMAVQAKY-FNZAMBHKSA-N	1	1	308.554	6.053	40	30		DKEBMO
C[C@@H](C/C=[NH+]/CC/N=C\C[C@@H](C)CC(C)(C)C)CC(C)(C)C	ZINC000104259732	563563893	/nfs/dbraw/zinc/56/38/93/563563893.db2.gz	XPDSARUMAVQAKY-CVNJYVSTSA-N	1	1	308.554	6.053	40	30		DKEBMO
C[C@@H](C/C=[NH+]/CC/N=C/C[C@@H](C)CC(C)(C)C)CC(C)(C)C	ZINC000104259739	563563852	/nfs/dbraw/zinc/56/38/52/563563852.db2.gz	XPDSARUMAVQAKY-MECGADHSSA-N	1	1	308.554	6.053	40	30		DKEBMO
Cc1cc2c(cc1C=[NH+]Nc1ccccc1)[C@H](C)CC(C)(C)N2C	ZINC000208215124	563700352	/nfs/dbraw/zinc/70/03/52/563700352.db2.gz	OYRBEBMWGMWYPS-CAUNFOBBSA-N	1	1	321.468	5.163	40	30		DKEBMO
Cc1cc2c(cc1C=[NH+]Nc1ccccc1)[C@@H](C)CC(C)(C)N2C	ZINC000208215167	563700360	/nfs/dbraw/zinc/70/03/60/563700360.db2.gz	OYRBEBMWGMWYPS-SITPEIFSSA-N	1	1	321.468	5.163	40	30		DKEBMO
CCN1c2ccc(C=[NH+]Nc3ccccc3)cc2C(C)=CC1(C)C	ZINC000208509096	568415626	/nfs/dbraw/zinc/41/56/26/568415626.db2.gz	MDOBCLMOBNWWJI-PXLXIMEGSA-N	1	1	319.452	5.154	40	30		DKEBMO
CCN1c2ccc(C=[NH+]Nc3ccccc3)cc2[C@@H](C)CC1(C)C	ZINC000223527076	563734488	/nfs/dbraw/zinc/73/44/88/563734488.db2.gz	TZXIJQPQCQSGBT-PZBNQXIHSA-N	1	1	321.468	5.245	40	30		DKEBMO
C=C1CCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)C[N@H+]2Cc1ccccc1	ZINC000247890021	257115026	/nfs/dbraw/zinc/11/50/26/257115026.db2.gz	VDNOLQQAMPQTRK-ZRBLBEILSA-N	1	1	317.476	5.401	40	30		DKEBMO
CCc1ccc(-n2c(C)cc(/C=[NH+]\C3CCCCC3)c2C)cc1	ZINC000408755749	257226543	/nfs/dbraw/zinc/22/65/43/257226543.db2.gz	PCLZNDKRGGYZQA-JCMHNJIXSA-N	1	1	308.469	5.408	40	30		DKEBMO
CCc1cccc(C)c1-n1c(C)cc(/C=[NH+]\C2CCCCC2)c1C	ZINC000408848137	257226019	/nfs/dbraw/zinc/22/60/19/257226019.db2.gz	PNZJKGQRDZBZQN-HAHDFKILSA-N	1	1	322.496	5.717	40	30		DKEBMO
CCc1ccccc1-n1c(C)cc(/C=[NH+]\C2CCCCC2)c1C	ZINC000408967565	257225236	/nfs/dbraw/zinc/22/52/36/257225236.db2.gz	QYOSGXXBTZDTDG-JCMHNJIXSA-N	1	1	308.469	5.408	40	30		DKEBMO