smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(cc1C[NH2+]C(C)C)[C@H](C)CC(C)(C)N2C(C)C	ZINC000223790761	201656010	/nfs/dbraw/zinc/65/60/10/201656010.db2.gz	AUWLIGDYWNOEOC-OAHLLOKOSA-N	1	0	318.505	4.694	40	10		DJCBRO
CCC[NH2+]Cc1cc2c(cc1OC)N(C(C)C)C(C)(C)C[C@@H]2C	ZINC000223788318	201656231	/nfs/dbraw/zinc/65/62/31/201656231.db2.gz	KENJLFMSZSVKFO-HNNXBMFYSA-N	1	0	318.505	4.695	40	10		DJCBRO
Cc1ccc(C)n1-c1ccc([C@H]2CCCC[N@H+]2CC(C)C)cn1	ZINC000072216785	257125508	/nfs/dbraw/zinc/12/55/08/257125508.db2.gz	MUBRGFMPKUETEC-LJQANCHMSA-N	1	0	311.473	4.672	40	10		DJCBRO
CCCCN1c2cc(F)c(C[NH2+]CC)cc2[C@H](C)CC1(C)C	ZINC000260725307	333592108	/nfs/dbraw/zinc/59/21/08/333592108.db2.gz	UMETUJVYRLCXLR-CQSZACIVSA-N	1	0	306.469	4.828	40	10		DJCBRO
CCCCN1c2cc(OC)c(C[NH2+]CC)cc2[C@H](C)CC1(C)C	ZINC000260725279	333592126	/nfs/dbraw/zinc/59/21/26/333592126.db2.gz	UDXHWUYFMOJTID-OAHLLOKOSA-N	1	0	318.505	4.697	40	10		DJCBRO
CCCN1c2cc(C)c(C[NH2+]C(C)C)cc2[C@@H](C)CC1(C)C	ZINC000223789254	563736679	/nfs/dbraw/zinc/73/66/79/563736679.db2.gz	DWNVRHPXTJHYOU-INIZCTEOSA-N	1	0	302.506	4.995	40	10		DJCBRO
CCC[NH2+]Cc1cc2c(cc1Cl)N(CC)C(C)(C)C=C2C	ZINC000223802121	563736451	/nfs/dbraw/zinc/73/64/51/563736451.db2.gz	FANFGOHBSCSAJC-UHFFFAOYSA-N	1	0	306.881	4.861	40	10		DJCBRO
Cc1cc2c(cc1C[NH2+]C(C)C)[C@@H](C)CC(C)(C)N2C(C)C	ZINC000223789330	563736531	/nfs/dbraw/zinc/73/65/31/563736531.db2.gz	UOYKWKXUGXARCI-INIZCTEOSA-N	1	0	302.506	4.994	40	10		DJCBRO
CCCCN1c2cc(OC)c(C[NH2+]CC)cc2[C@@H](C)CC1(C)C	ZINC000223786320	563736649	/nfs/dbraw/zinc/73/66/49/563736649.db2.gz	UDXHWUYFMOJTID-HNNXBMFYSA-N	1	0	318.505	4.697	40	10		DJCBRO
CN(C)c1ccc([C@@H](Cc2ccccc2)[NH+]2CCCCC2)cc1	ZINC000001668067	180885986	/nfs/dbraw/zinc/88/59/86/180885986.db2.gz	GESUTZGJYLYFNT-OAQYLSRUSA-N	1	0	308.469	4.522	40	10		DJCBRO
CN(C)c1ccc([C@H](Cc2ccccc2)[NH+]2CCCCC2)cc1	ZINC000005849380	181289126	/nfs/dbraw/zinc/28/91/26/181289126.db2.gz	GESUTZGJYLYFNT-NRFANRHFSA-N	1	0	308.469	4.522	40	10		DJCBRO
Cc1cc(C[NH2+]CC(C)C)c(C)n1-c1cc(Cl)ccc1C	ZINC000223673329	201653485	/nfs/dbraw/zinc/65/34/85/201653485.db2.gz	AOBALXDCZGCKKK-UHFFFAOYSA-N	1	0	304.865	4.802	40	10		DJCBRO
COc1cc([N+]#N)c(OC)cc1/N=N/c1ccc([N+](=O)[O-])cc1	ZINC000100047709	193793432	/nfs/dbraw/zinc/79/34/32/193793432.db2.gz	AXQTUUPVMIBBKV-ISLYRVAYSA-N	1	0	314.281	4.512	40	10		DJCBRO
Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCC[N@H+]1CC(C)C	ZINC000072216844	257125504	/nfs/dbraw/zinc/12/55/04/257125504.db2.gz	JEYGHXOLGQMURT-IBGZPJMESA-N	1	0	311.473	4.672	40	10		DJCBRO
CCC[NH2+]Cc1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	ZINC000223674867	563735168	/nfs/dbraw/zinc/73/51/68/563735168.db2.gz	HQIVLPUNSQYTQE-UHFFFAOYSA-N	1	0	310.363	4.613	40	10		DJCBRO
CCCC[NH2+]Cc1cc(C)n(-c2cccc(Cl)c2C)c1C	ZINC000223672111	563735109	/nfs/dbraw/zinc/73/51/09/563735109.db2.gz	CSAOEAGSYWBKCE-UHFFFAOYSA-N	1	0	304.865	4.946	40	10		DJCBRO
CCC[NH2+]Cc1cc2c(cc1F)N(C(C)C)C(C)(C)C[C@@H]2C	ZINC000223787936	563736520	/nfs/dbraw/zinc/73/65/20/563736520.db2.gz	UPIONKKJTBPSOC-AWEZNQCLSA-N	1	0	306.469	4.826	40	10		DJCBRO
CCCCN1c2cc(Cl)c(C[NH2+]C)cc2C(C)=CC1(C)C	ZINC000223798199	563736620	/nfs/dbraw/zinc/73/66/20/563736620.db2.gz	SFFRZCKRRKAIGP-UHFFFAOYSA-N	1	0	306.881	4.861	40	10		DJCBRO
COc1cc(N)ccc1Nc1c2ccccc2[nH+]c2ccccc21	ZINC000005393054	181238740	/nfs/dbraw/zinc/23/87/40/181238740.db2.gz	ZFZIUGOGRMNHQT-UHFFFAOYSA-N	1	0	315.376	4.722	40	10		DJCBRO
CCCC[NH2+]Cc1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	ZINC000223673738	201653119	/nfs/dbraw/zinc/65/31/19/201653119.db2.gz	CSGXOWVSXJHEIU-UHFFFAOYSA-N	1	0	304.865	4.946	40	10		DJCBRO
CCCCN1c2cc(Cl)c(C[NH2+]C)cc2[C@@H](C)CC1(C)C	ZINC000223783273	201655669	/nfs/dbraw/zinc/65/56/69/201655669.db2.gz	MZQBYQVEAALGPP-ZDUSSCGKSA-N	1	0	308.897	4.952	40	10		DJCBRO
CCCC[N@@H+]1CCCC[C@H]1c1ccc(-n2c(C)ccc2C)nc1	ZINC000072216787	257125324	/nfs/dbraw/zinc/12/53/24/257125324.db2.gz	RZGBXBGDPLRBIA-IBGZPJMESA-N	1	0	311.473	4.816	40	10		DJCBRO
CC(C)(C)CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCCCC2)c1	ZINC000001706300	563895780	/nfs/dbraw/zinc/89/57/80/563895780.db2.gz	RTSMCCDWYFYEBH-UHFFFAOYSA-N	1	0	319.489	4.798	40	10	in-vitro	DJCBRO
CCC[NH2+]Cc1cc2c(cc1C)N(CCC)C(C)(C)C[C@H]2C	ZINC000260716941	333590979	/nfs/dbraw/zinc/59/09/79/333590979.db2.gz	HBIVBGLCAJDMKU-MRXNPFEDSA-N	1	0	302.506	4.997	40	10		DJCBRO
Cc1cc(C[NH2+]CC(C)C)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000223674958	563735089	/nfs/dbraw/zinc/73/50/89/563735089.db2.gz	QIDIOYZHVGGSLI-UHFFFAOYSA-N	1	0	324.390	4.859	40	10		DJCBRO
CC[NH2+]Cc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C=C2C	ZINC000223800202	563736624	/nfs/dbraw/zinc/73/66/24/563736624.db2.gz	MAFMNSKCVCVKSU-UHFFFAOYSA-N	1	0	306.881	4.860	40	10		DJCBRO
CC[n+]1c(/C=C/c2ccc(N(C)C)cc2)ccc2cc(C)ccc21	ZINC000005027448	181192798	/nfs/dbraw/zinc/19/27/98/181192798.db2.gz	MUEZLBWKARGZTQ-UHFFFAOYSA-N	1	0	317.456	4.692	40	10		DJCBRO
CCC[NH2+]Cc1cc2c(cc1F)N(CCC)C(C)(C)C=C2C	ZINC000223802633	563736611	/nfs/dbraw/zinc/73/66/11/563736611.db2.gz	VIKHCLRYVJDACK-UHFFFAOYSA-N	1	0	304.453	4.737	40	10		DJCBRO
CCC[NH2+]Cc1cc2c(cc1C)N(CCC)C(C)(C)C=C2C	ZINC000223801755	563736613	/nfs/dbraw/zinc/73/66/13/563736613.db2.gz	ASDGTKSFCCXYSM-UHFFFAOYSA-N	1	0	300.490	4.907	40	10		DJCBRO
CCCCN1c2cc(Cl)c(C[NH2+]C)cc2[C@H](C)CC1(C)C	ZINC000260719807	563781064	/nfs/dbraw/zinc/78/10/64/563781064.db2.gz	MZQBYQVEAALGPP-CYBMUJFWSA-N	1	0	308.897	4.952	40	10		DJCBRO
CCCC[NH2+]Cc1cc(C)n(-c2ccc(Cl)cc2C)c1C	ZINC000223672711	563735149	/nfs/dbraw/zinc/73/51/49/563735149.db2.gz	FWGIFVYCQMUZBL-UHFFFAOYSA-N	1	0	304.865	4.946	40	10		DJCBRO
CCCCN1c2cc(F)c(C[NH2+]CC)cc2[C@@H](C)CC1(C)C	ZINC000223785893	563736472	/nfs/dbraw/zinc/73/64/72/563736472.db2.gz	UMETUJVYRLCXLR-AWEZNQCLSA-N	1	0	306.469	4.828	40	10		DJCBRO
CCC[NH2+]Cc1cc2c(cc1OC)N(C(C)C)C(C)(C)C[C@H]2C	ZINC000260719607	563780905	/nfs/dbraw/zinc/78/09/05/563780905.db2.gz	KENJLFMSZSVKFO-OAHLLOKOSA-N	1	0	318.505	4.695	40	10		DJCBRO
Oc1ccccc1[C@H]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]2[NH2+]1	ZINC000005769807	181282239	/nfs/dbraw/zinc/28/22/39/181282239.db2.gz	FAXYOLVJOUGVAO-RSPOEFSDSA-N	1	0	307.437	4.769	40	10		DJCBRO
Oc1ccccc1[C@H]1C[C@@H](c2ccccc2)[C@H]2CCCC[C@@H]2[NH2+]1	ZINC000006597999	181359540	/nfs/dbraw/zinc/35/95/40/181359540.db2.gz	FAXYOLVJOUGVAO-BTHPGYMESA-N	1	0	307.437	4.769	40	10		DJCBRO
CCCC[N@@H+]1CCCC[C@H]1c1cccnc1-n1c(C)ccc1C	ZINC000072216847	257125448	/nfs/dbraw/zinc/12/54/48/257125448.db2.gz	CXTYDZPDGXNLNI-IBGZPJMESA-N	1	0	311.473	4.816	40	10		DJCBRO
CCCCN1c2ccc(C[NH2+]CCC)cc2C(C)=CC1(C)C	ZINC000223801517	563736586	/nfs/dbraw/zinc/73/65/86/563736586.db2.gz	ZOVYFNHSWQUPFB-UHFFFAOYSA-N	1	0	300.490	4.988	40	10		DJCBRO
Cc1ccc(C)n1-c1ccc([C@@H]2CCCC[N@H+]2CC(C)C)cn1	ZINC000072216784	257125077	/nfs/dbraw/zinc/12/50/77/257125077.db2.gz	MUBRGFMPKUETEC-IBGZPJMESA-N	1	0	311.473	4.672	40	10		DJCBRO
CCN1c2cc(Cl)c(C[NH2+]C(C)C)cc2[C@H](C)CC1(C)C	ZINC000260722710	333592057	/nfs/dbraw/zinc/59/20/57/333592057.db2.gz	RTYWMSBGGKHQMS-CYBMUJFWSA-N	1	0	308.897	4.950	40	10		DJCBRO
CCCN1c2cc(Cl)c(C[NH2+]CC)cc2C(C)=CC1(C)C	ZINC000223800120	563736403	/nfs/dbraw/zinc/73/64/03/563736403.db2.gz	SFJUBAHUADSMAW-UHFFFAOYSA-N	1	0	306.881	4.861	40	10		DJCBRO
CCN1c2cc(Cl)c(C[NH2+]C(C)C)cc2[C@@H](C)CC1(C)C	ZINC000223789618	563736489	/nfs/dbraw/zinc/73/64/89/563736489.db2.gz	RTYWMSBGGKHQMS-ZDUSSCGKSA-N	1	0	308.897	4.950	40	10		DJCBRO
CC(C)[NH2+]Cc1cc2c(cc1F)N(C(C)C)C(C)(C)C[C@H]2C	ZINC000260717165	563781044	/nfs/dbraw/zinc/78/10/44/563781044.db2.gz	IOMCSKQDJQBWJE-CQSZACIVSA-N	1	0	306.469	4.824	40	10		DJCBRO
Oc1ccccc1[C@@H]1C[C@@H](c2ccccc2)[C@H]2CCCC[C@@H]2[NH2+]1	ZINC000006598003	181359263	/nfs/dbraw/zinc/35/92/63/181359263.db2.gz	FAXYOLVJOUGVAO-GTAWCEEGSA-N	1	0	307.437	4.769	40	10		DJCBRO
C[C@H]1Cc2ccccc2[N+]1=CC=C1N(C)c2ccccc2C1(C)C	ZINC000038611023	183004689	/nfs/dbraw/zinc/00/46/89/183004689.db2.gz	HRPFVPLQLXAHTA-INIZCTEOSA-N	1	0	317.456	4.658	40	10		DJCBRO
Cc1cc(C[NH2+]CC(C)C)c(C)n1-c1ccc(Cl)cc1C	ZINC000223672801	563735311	/nfs/dbraw/zinc/73/53/11/563735311.db2.gz	SVLJVIFIVZDVMK-UHFFFAOYSA-N	1	0	304.865	4.802	40	10		DJCBRO
CCC[NH2+]Cc1cc2c(cc1C)N(CCC)C(C)(C)C[C@@H]2C	ZINC000223787092	563736527	/nfs/dbraw/zinc/73/65/27/563736527.db2.gz	HBIVBGLCAJDMKU-INIZCTEOSA-N	1	0	302.506	4.997	40	10		DJCBRO
CCC[NH2+]Cc1cc2c(cc1OC)N(CCC)C(C)(C)C[C@@H]2C	ZINC000223788223	563736662	/nfs/dbraw/zinc/73/66/62/563736662.db2.gz	HXMXNZJXZLESLQ-HNNXBMFYSA-N	1	0	318.505	4.697	40	10		DJCBRO
CCC[NH2+]Cc1cc2c(cc1OC)N(CCC)C(C)(C)C[C@H]2C	ZINC000260717057	563780943	/nfs/dbraw/zinc/78/09/43/563780943.db2.gz	HXMXNZJXZLESLQ-OAHLLOKOSA-N	1	0	318.505	4.697	40	10		DJCBRO
Oc1ccccc1[C@H]1C[C@@H](c2ccccc2)[C@H]2CCCC[C@H]2[NH2+]1	ZINC000105826616	194137078	/nfs/dbraw/zinc/13/70/78/194137078.db2.gz	FAXYOLVJOUGVAO-GSEOLPGOSA-N	1	0	307.437	4.769	40	10		DJCBRO
CC[NH2+]Cc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@@H]2C	ZINC000223785420	563736604	/nfs/dbraw/zinc/73/66/04/563736604.db2.gz	XYEARQRAVDNWER-ZDUSSCGKSA-N	1	0	308.897	4.950	40	10		DJCBRO
CCCN1c2cc(C)c(C[NH2+]C(C)C)cc2[C@H](C)CC1(C)C	ZINC000260714686	563781116	/nfs/dbraw/zinc/78/11/16/563781116.db2.gz	DWNVRHPXTJHYOU-MRXNPFEDSA-N	1	0	302.506	4.995	40	10		DJCBRO
CCCN1c2cc(OC)c(C[NH2+]C(C)C)cc2[C@H](C)CC1(C)C	ZINC000260722765	563781128	/nfs/dbraw/zinc/78/11/28/563781128.db2.gz	SKIDDUITRRIHLT-OAHLLOKOSA-N	1	0	318.505	4.695	40	10		DJCBRO
Cc1c2ccc3c(Br)cccc3c2c[n+]2ccccc12	ZINC000001609545	563287458	/nfs/dbraw/zinc/28/74/58/563287458.db2.gz	NOAGEEYAQDMSAW-UHFFFAOYSA-N	1	0	323.213	4.803	40	10		DJCBRO
Cc1cc(C[NH2+]CC(C)C)c(C)n1-c1ccc(C)c(Cl)c1	ZINC000223673801	563735086	/nfs/dbraw/zinc/73/50/86/563735086.db2.gz	AKOMDROVUWIJQV-UHFFFAOYSA-N	1	0	304.865	4.802	40	10		DJCBRO
CCCN1c2cc(F)c(C[NH2+]C(C)C)cc2[C@@H](C)CC1(C)C	ZINC000223790126	201655874	/nfs/dbraw/zinc/65/58/74/201655874.db2.gz	KWSQBZNEUIZFFE-AWEZNQCLSA-N	1	0	306.469	4.826	40	10		DJCBRO
CCCCN1c2cc(C)c(C[NH2+]CC)cc2[C@@H](C)CC1(C)C	ZINC000223785086	563736426	/nfs/dbraw/zinc/73/64/26/563736426.db2.gz	IEIVTSDXYXAPHT-INIZCTEOSA-N	1	0	302.506	4.997	40	10		DJCBRO
CCCN1c2cc(Cl)c(C[NH2+]CC)cc2[C@@H](C)CC1(C)C	ZINC000223785330	563736617	/nfs/dbraw/zinc/73/66/17/563736617.db2.gz	XEADJTQHDZBWJE-ZDUSSCGKSA-N	1	0	308.897	4.952	40	10		DJCBRO
Oc1ccccc1C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1	ZINC000001441948	563283448	/nfs/dbraw/zinc/28/34/48/563283448.db2.gz	CVCRDACYBPOIIW-UHFFFAOYSA-N	1	0	321.395	4.734	40	10		DJCBRO
Cc1cc(C[NH2+]CC(C)C)c(C)n1-c1cccc(Cl)c1C	ZINC000223672195	563735117	/nfs/dbraw/zinc/73/51/17/563735117.db2.gz	JTLCPHUTEIWQKV-UHFFFAOYSA-N	1	0	304.865	4.802	40	10		DJCBRO
CCC[NH2+]Cc1cc2c(cc1F)N(C(C)C)C(C)(C)C[C@H]2C	ZINC000260725322	563780892	/nfs/dbraw/zinc/78/08/92/563780892.db2.gz	UPIONKKJTBPSOC-CQSZACIVSA-N	1	0	306.469	4.826	40	10		DJCBRO
CCCC[NH2+]Cc1cc(C)n(-c2cc(Cl)ccc2C)c1C	ZINC000223673249	563735065	/nfs/dbraw/zinc/73/50/65/563735065.db2.gz	CGCYSPYZCMUNCA-UHFFFAOYSA-N	1	0	304.865	4.946	40	10		DJCBRO
CC(C)[NH2+]Cc1cc2c(cc1F)N(C(C)C)C(C)(C)C[C@@H]2C	ZINC000223790211	563736657	/nfs/dbraw/zinc/73/66/57/563736657.db2.gz	IOMCSKQDJQBWJE-AWEZNQCLSA-N	1	0	306.469	4.824	40	10		DJCBRO
CCC[NH2+]Cc1cc2c(cc1Cl)N(CC)C(C)(C)C[C@H]2C	ZINC000260722548	563780967	/nfs/dbraw/zinc/78/09/67/563780967.db2.gz	PSROYCIZYYVGNA-CYBMUJFWSA-N	1	0	308.897	4.952	40	10		DJCBRO
CCCN1c2cc(F)c(C[NH2+]C(C)C)cc2[C@H](C)CC1(C)C	ZINC000260719641	563780997	/nfs/dbraw/zinc/78/09/97/563780997.db2.gz	KWSQBZNEUIZFFE-CQSZACIVSA-N	1	0	306.469	4.826	40	10		DJCBRO
CCCN1c2cc(Cl)c(C[NH2+]CC)cc2[C@H](C)CC1(C)C	ZINC000260725497	563781085	/nfs/dbraw/zinc/78/10/85/563781085.db2.gz	XEADJTQHDZBWJE-CYBMUJFWSA-N	1	0	308.897	4.952	40	10		DJCBRO
CCC[NH2+]Cc1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@H]2C	ZINC000260725588	333592014	/nfs/dbraw/zinc/59/20/14/333592014.db2.gz	YILINZSAQHOBQC-MRXNPFEDSA-N	1	0	302.506	4.995	40	10		DJCBRO
CCCCN1c2cc(F)c(C[NH2+]CC)cc2C(C)=CC1(C)C	ZINC000223800709	563736432	/nfs/dbraw/zinc/73/64/32/563736432.db2.gz	OMGWEASDYKAOQA-UHFFFAOYSA-N	1	0	304.453	4.737	40	10		DJCBRO
CCC[NH2+]Cc1cc2c(cc1F)N(CCC)C(C)(C)C[C@@H]2C	ZINC000223787858	563736614	/nfs/dbraw/zinc/73/66/14/563736614.db2.gz	NAIKALHDOPMQKU-AWEZNQCLSA-N	1	0	306.469	4.828	40	10		DJCBRO
CCN(CC)c1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1	ZINC000006869660	563639148	/nfs/dbraw/zinc/63/91/48/563639148.db2.gz	WRQSBFFSUHQVFI-UHFFFAOYSA-N	1	0	312.501	4.591	40	10		DJCBRO
CN(C)c1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1	ZINC000007277067	563639680	/nfs/dbraw/zinc/63/96/80/563639680.db2.gz	CTRWQOHZVJCELE-DLIHROTGSA-N	1	0	312.501	4.591	40	10		DJCBRO
CCCN1c2cc(OC)c(C[NH2+]C(C)C)cc2[C@@H](C)CC1(C)C	ZINC000223790615	563736663	/nfs/dbraw/zinc/73/66/63/563736663.db2.gz	SKIDDUITRRIHLT-HNNXBMFYSA-N	1	0	318.505	4.695	40	10		DJCBRO
CCC[NH2+]Cc1cc2c(cc1F)N(CCC)C(C)(C)C[C@H]2C	ZINC000260719812	563780912	/nfs/dbraw/zinc/78/09/12/563780912.db2.gz	NAIKALHDOPMQKU-CQSZACIVSA-N	1	0	306.469	4.828	40	10		DJCBRO
C[C@@H]1Cc2ccccc2[N+]1=CC=C1N(C)c2ccccc2C1(C)C	ZINC000038611022	183004981	/nfs/dbraw/zinc/00/49/81/183004981.db2.gz	HRPFVPLQLXAHTA-MRXNPFEDSA-N	1	0	317.456	4.658	40	10		DJCBRO
Cc1c2cc(Br)c3ccccc3c2c[n+]2ccccc12	ZINC000001609544	563287668	/nfs/dbraw/zinc/28/76/68/563287668.db2.gz	HDNLQPITJBHRMR-UHFFFAOYSA-N	1	0	323.213	4.803	40	10		DJCBRO
CCCCN1c2cc(OC)c(C[NH2+]CC)cc2C(C)=CC1(C)C	ZINC000223801119	563736481	/nfs/dbraw/zinc/73/64/81/563736481.db2.gz	GFAMOOIAXZHQSC-UHFFFAOYSA-N	1	0	316.489	4.607	40	10		DJCBRO
CCCCN1c2cc(C)c(C[NH2+]CC)cc2C(C)=CC1(C)C	ZINC000223799864	563736596	/nfs/dbraw/zinc/73/65/96/563736596.db2.gz	RPTZPUCYZGURNC-UHFFFAOYSA-N	1	0	300.490	4.907	40	10		DJCBRO
CCC[NH2+]Cc1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@@H]2C	ZINC000223787178	563736602	/nfs/dbraw/zinc/73/66/02/563736602.db2.gz	YILINZSAQHOBQC-INIZCTEOSA-N	1	0	302.506	4.995	40	10		DJCBRO
CCCCN1c2cc(C)c(C[NH2+]CC)cc2[C@H](C)CC1(C)C	ZINC000260717108	563781032	/nfs/dbraw/zinc/78/10/32/563781032.db2.gz	IEIVTSDXYXAPHT-MRXNPFEDSA-N	1	0	302.506	4.997	40	10		DJCBRO
Oc1ccccc1[C@@H]1C[C@@H](c2ccccc2)[C@H]2CCCC[C@H]2[NH2+]1	ZINC000105826620	194138553	/nfs/dbraw/zinc/13/85/53/194138553.db2.gz	FAXYOLVJOUGVAO-MDNKFWRPSA-N	1	0	307.437	4.769	40	10		DJCBRO
CCCC[N@@H+]1CCCC[C@@H]1c1ccc(-n2c(C)ccc2C)nc1	ZINC000072216786	257125058	/nfs/dbraw/zinc/12/50/58/257125058.db2.gz	RZGBXBGDPLRBIA-LJQANCHMSA-N	1	0	311.473	4.816	40	10		DJCBRO
Cc1ccc(C)n1-c1ncccc1[C@H]1CCCC[N@H+]1CC(C)C	ZINC000072216845	257125599	/nfs/dbraw/zinc/12/55/99/257125599.db2.gz	JEYGHXOLGQMURT-LJQANCHMSA-N	1	0	311.473	4.672	40	10		DJCBRO
CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1-n1c(C)ccc1C	ZINC000072216846	257125620	/nfs/dbraw/zinc/12/56/20/257125620.db2.gz	CXTYDZPDGXNLNI-LJQANCHMSA-N	1	0	311.473	4.816	40	10		DJCBRO
CC[NH2+]Cc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@H]2C	ZINC000260725551	333592153	/nfs/dbraw/zinc/59/21/53/333592153.db2.gz	XYEARQRAVDNWER-CYBMUJFWSA-N	1	0	308.897	4.950	40	10		DJCBRO
Cc1cc2c(cc1C[NH2+]C(C)C)[C@H](C)CC(C)(C)N2C(C)C	ZINC000223789385	563736539	/nfs/dbraw/zinc/73/65/39/563736539.db2.gz	UOYKWKXUGXARCI-MRXNPFEDSA-N	1	0	302.506	4.994	40	10		DJCBRO
COc1cc2c(cc1C[NH2+]C(C)C)[C@@H](C)CC(C)(C)N2C(C)C	ZINC000223790704	563736543	/nfs/dbraw/zinc/73/65/43/563736543.db2.gz	AUWLIGDYWNOEOC-HNNXBMFYSA-N	1	0	318.505	4.694	40	10		DJCBRO
CCC[NH2+]Cc1cc2c(cc1C)N(C(C)C)C(C)(C)C=C2C	ZINC000223801844	563736635	/nfs/dbraw/zinc/73/66/35/563736635.db2.gz	CLPVTVOGNJDKRK-UHFFFAOYSA-N	1	0	300.490	4.905	40	10		DJCBRO
CCC[NH2+]Cc1cc2c(cc1Cl)N(CC)C(C)(C)C[C@@H]2C	ZINC000223787412	563736672	/nfs/dbraw/zinc/73/66/72/563736672.db2.gz	PSROYCIZYYVGNA-ZDUSSCGKSA-N	1	0	308.897	4.952	40	10		DJCBRO