smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(N2CC[NH2+]CC2)c2cc(Br)cc(C)c2[nH+]1	ZINC000068136538	431113903	/nfs/dbraw/zinc/11/39/03/431113903.db2.gz	LJKQVBHDVHPKPS-UHFFFAOYSA-N	2	0	320.234	3.024	40	0		DGABRP
COC[C@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1ccc(C)o1)CC2	ZINC000096051752	431935730	/nfs/dbraw/zinc/93/57/30/431935730.db2.gz	JLBACAKNVDPQHB-QGZVFWFLSA-N	2	0	320.477	3.299	40	0		DGABRP
C[NH2+]Cc1cc([C@H]2CC[C@H](C[N@H+](C)C3CCCC3)CC2)nn1C	ZINC000257252876	432423415	/nfs/dbraw/zinc/42/34/15/432423415.db2.gz	JWLZDFMYPAZHLH-WKILWMFISA-N	2	0	318.509	3.288	40	0		DGABRP
C[C@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2[C@H]2CCC[NH2+]C2)C1	ZINC000253603706	432400930	/nfs/dbraw/zinc/40/09/30/432400930.db2.gz	KNCLSRWZFJXARD-GJZGRUSLSA-N	2	0	312.461	3.262	40	0		DGABRP
COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1cc(C)ccc1C)CC2	ZINC000248121915	432268781	/nfs/dbraw/zinc/26/87/81/432268781.db2.gz	KNKRYNAXLYAPJO-LJQANCHMSA-N	2	0	316.489	3.094	40	0		DGABRP
Fc1ccc(C[NH+]2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)cc1	ZINC000096220746	282976678	/nfs/dbraw/zinc/97/66/78/282976678.db2.gz	WJTQRSUDHRZICH-GOSISDBHSA-N	2	0	318.436	3.045	40	0		DGABRP
Cc1ccccc1C[N@@H+]1CC[C@]2(C1)C[C@H]([NH+]1CCCC1)CCO2	ZINC000096207941	431942708	/nfs/dbraw/zinc/94/27/08/431942708.db2.gz	NWVHPJGBXLRORU-WOJBJXKFSA-N	2	0	314.473	3.214	40	0		DGABRP
C[C@@H]1CC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1	ZINC000096493321	431954145	/nfs/dbraw/zinc/95/41/45/431954145.db2.gz	PTNWHLDIWJUVMX-ZCQXEVHSSA-N	2	0	316.489	3.444	40	0		DGABRP
C[NH+](C)[C@@H]1CCOC2(CC[NH+](Cc3ccccc3Cl)CC2)C1	ZINC000108527800	431147747	/nfs/dbraw/zinc/14/77/47/431147747.db2.gz	YFRSPACCFOOXMB-MRXNPFEDSA-N	2	0	322.880	3.415	40	0		DGABRP
CC1=[NH+]C[C@@H](C)NC(C)(C)CC(C)=[NH+][C@H](C)CNC(C)(C)C1	ZINC001547138100	1186056315	/nfs/dbraw/zinc/05/63/15/1186056315.db2.gz	VPWMRWNDCNUCTC-HZPDHXFCSA-N	2	0	308.514	3.215	40	0		DGABRP
C[C@@H]1CC([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1	ZINC000110708043	194352805	/nfs/dbraw/zinc/35/28/05/194352805.db2.gz	PTNWHLDIWJUVMX-NNXNONAVSA-N	2	0	316.489	3.444	40	0		DGABRP
CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1	ZINC000072216545	257125205	/nfs/dbraw/zinc/12/52/05/257125205.db2.gz	LAWOIOBXQBVBHF-SFHVURJKSA-N	2	0	316.493	3.016	40	0		DGABRP
CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C	ZINC000047219103	431906926	/nfs/dbraw/zinc/90/69/26/431906926.db2.gz	IBKWXUJBWVTAIY-GJZGRUSLSA-N	2	0	300.487	3.064	40	0		DGABRP
C[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2[C@H]2CCC[NH2+]C2)C1	ZINC000253603704	432400285	/nfs/dbraw/zinc/40/02/85/432400285.db2.gz	KNCLSRWZFJXARD-CABCVRRESA-N	2	0	312.461	3.262	40	0		DGABRP
C[C@H]1[C@H](CC[NH+](C)C)COCC[N@@H+]1Cc1ccccc1Cl	ZINC000306131339	231087337	/nfs/dbraw/zinc/08/73/37/231087337.db2.gz	KCEDBKLLALMCPS-GOEBONIOSA-N	2	0	310.869	3.129	40	0		DGABRP
C(CSCC[NH+]1CCCCC1)SCC[NH+]1CCCCC1	ZINC000004743637	181146070	/nfs/dbraw/zinc/14/60/70/181146070.db2.gz	VRZMIMINCAYVAW-UHFFFAOYSA-N	2	0	316.580	3.425	40	0		DGABRP
COCC[NH+]1CCC2(C[C@H]([NH+]3CCCC3)c3ccccc32)CC1	ZINC000096079197	277515089	/nfs/dbraw/zinc/51/50/89/277515089.db2.gz	CSPBDAHNIRICLY-IBGZPJMESA-N	2	0	314.473	3.207	40	0		DGABRP
COC[C@@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1ccsc1)CC2	ZINC000096051749	431934907	/nfs/dbraw/zinc/93/49/07/431934907.db2.gz	DENOZJRDJKOOKS-KRWDZBQOSA-N	2	0	322.518	3.459	40	0		DGABRP
c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cc[nH+]cc2)nc1	ZINC000096081937	431938088	/nfs/dbraw/zinc/93/80/88/431938088.db2.gz	SZJGANUOXDUVMU-SQGPQFPESA-N	2	0	322.456	3.437	40	0		DGABRP
Cc1cccc(C[NH+]2CCC3(CC2)C[NH2+]Cc2ccccc23)n1	ZINC000096242613	431943906	/nfs/dbraw/zinc/94/39/06/431943906.db2.gz	WVMDVCFUMPRWHX-UHFFFAOYSA-N	2	0	307.441	3.027	40	0		DGABRP
C[C@H]1CC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1	ZINC000096493322	431953737	/nfs/dbraw/zinc/95/37/37/431953737.db2.gz	PTNWHLDIWJUVMX-LNLFQRSKSA-N	2	0	316.489	3.444	40	0		DGABRP
[NH3+][C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1OCc1ccccc1	ZINC000242649023	257120427	/nfs/dbraw/zinc/12/04/27/257120427.db2.gz	RRNLSOSWIHMGHJ-FCGDIQPGSA-N	2	0	302.462	3.374	40	0		DGABRP
CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C	ZINC000047219101	431906613	/nfs/dbraw/zinc/90/66/13/431906613.db2.gz	IBKWXUJBWVTAIY-CABCVRRESA-N	2	0	300.487	3.064	40	0		DGABRP
c1ccc(Oc2ccc3[nH+]ccc(N4CC[NH2+]CC4)c3c2)cc1	ZINC000225321577	432688212	/nfs/dbraw/zinc/68/82/12/432688212.db2.gz	LGZXBHGFXJITFQ-UHFFFAOYSA-N	2	0	305.381	3.437	40	0		DGABRP
CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N1CC[NH+](C)CC1	ZINC000072216607	257125136	/nfs/dbraw/zinc/12/51/36/257125136.db2.gz	VPRYVECOXSEGBR-SFHVURJKSA-N	2	0	316.493	3.161	40	0		DGABRP
COC[C@@H]1C[N@H+](Cc2ccsc2)CC12CC[NH+](C(C)C)CC2	ZINC000585103316	400125689	/nfs/dbraw/zinc/12/56/89/400125689.db2.gz	OGSURUXUCANURR-KRWDZBQOSA-N	2	0	322.518	3.317	40	0		DGABRP
C[NH+]1CCN(c2ccc(Nc3[nH]c4ccccc4[nH+]3)cc2)CC1	ZINC000000045690	431114983	/nfs/dbraw/zinc/11/49/83/431114983.db2.gz	OBYNTFAIIAIHBH-UHFFFAOYSA-N	2	0	307.401	3.058	40	0		DGABRP
CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C	ZINC000047219100	431906919	/nfs/dbraw/zinc/90/69/19/431906919.db2.gz	IBKWXUJBWVTAIY-HUUCEWRRSA-N	2	0	300.487	3.064	40	0		DGABRP
COC[C@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1ccsc1)CC2	ZINC000096051748	431935642	/nfs/dbraw/zinc/93/56/42/431935642.db2.gz	DENOZJRDJKOOKS-QGZVFWFLSA-N	2	0	322.518	3.459	40	0		DGABRP
COCC[NH+]1CCC2(C[C@@H]([NH+]3CCCC3)c3ccccc32)CC1	ZINC000096079198	431937942	/nfs/dbraw/zinc/93/79/42/431937942.db2.gz	CSPBDAHNIRICLY-LJQANCHMSA-N	2	0	314.473	3.207	40	0		DGABRP
c1cc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCCC2)O3)cs1	ZINC000096208150	431942672	/nfs/dbraw/zinc/94/26/72/431942672.db2.gz	GNBJYPUNZQPLMQ-QZTJIDSGSA-N	2	0	320.502	3.358	40	0		DGABRP
CNc1cc(C)[nH+]c([C@@H]2CC[N@H+](Cc3scnc3C)C2)c1	ZINC000257231368	432420415	/nfs/dbraw/zinc/42/04/15/432420415.db2.gz	GGKGVTLINALTOD-CYBMUJFWSA-N	2	0	302.447	3.186	40	0		DGABRP
C[C@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C1	ZINC000072394685	191149099	/nfs/dbraw/zinc/14/90/99/191149099.db2.gz	GWZYCPNARHGSEZ-AWEZNQCLSA-N	2	0	312.461	3.262	40	0		DGABRP
C/C1=[NH+]\C[C@@H](C)NC(C)(C)C/C(C)=[NH+]/[C@@H](C)CNC(C)(C)C1	ZINC000068604778	277733514	/nfs/dbraw/zinc/73/35/14/277733514.db2.gz	VPWMRWNDCNUCTC-XVNXTWHZSA-N	2	0	308.514	3.215	40	0		DGABRP
C[C@H]1[C@H](CC[NH+](C)C)COCC[N@@H+]1Cc1cccc(Cl)c1	ZINC000248112201	432268599	/nfs/dbraw/zinc/26/85/99/432268599.db2.gz	KJJZYNXLGHFLQB-GOEBONIOSA-N	2	0	310.869	3.129	40	0		DGABRP
[NH3+][C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1	ZINC000218868066	432660709	/nfs/dbraw/zinc/66/07/09/432660709.db2.gz	RRNLSOSWIHMGHJ-HCXYKTFWSA-N	2	0	302.462	3.374	40	0		DGABRP
C/C1=[NH+]\CCC[NH2+]C(C)(C)C/C(C)=[NH+]/CCC[NH2+]C(C)(C)C1	ZINC000068604550	431135626	/nfs/dbraw/zinc/13/56/26/431135626.db2.gz	MSSQKRFDIDGBSG-MXWIWYRXSA-N	4	0	308.514	3.219	40	0		DGABRP
CC[NH+](CC)[C@H]1CCO[C@]2(CC[N@H+](Cc3ccsc3)C2)C1	ZINC000096206181	431943228	/nfs/dbraw/zinc/94/32/28/431943228.db2.gz	QDHPLFQSJNMHEM-DLBZAZTESA-N	2	0	308.491	3.213	40	0		DGABRP
COC[C@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1cccs1)CC2	ZINC000096051744	431935677	/nfs/dbraw/zinc/93/56/77/431935677.db2.gz	CSQOFXRGDJFVKP-MRXNPFEDSA-N	2	0	322.518	3.459	40	0		DGABRP
CC(C)C[N@@H+]1CCc2c(CN(C)Cc3ccco3)cncc2C1	ZINC000096189519	431941517	/nfs/dbraw/zinc/94/15/17/431941517.db2.gz	CGYNZIZOMWYCSI-UHFFFAOYSA-N	2	0	313.445	3.321	40	0		DGABRP
CC[NH+](CC)[C@H]1CCO[C@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1	ZINC000096218325	431942940	/nfs/dbraw/zinc/94/29/40/431942940.db2.gz	DWEYLOLCPVYPDA-RBUKOAKNSA-N	2	0	320.452	3.291	40	0		DGABRP
NC(=[NH2+])SCc1cccc2c(CSC(N)=[NH2+])cccc12	ZINC000016969469	182067197	/nfs/dbraw/zinc/06/71/97/182067197.db2.gz	PARYSYUEAATWOM-UHFFFAOYSA-N	2	0	304.444	3.093	40	0		DGABRP
COC[C@@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1cccs1)CC2	ZINC000096051745	431935519	/nfs/dbraw/zinc/93/55/19/431935519.db2.gz	CSQOFXRGDJFVKP-INIZCTEOSA-N	2	0	322.518	3.459	40	0		DGABRP
c1cncc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cc[nH+]cc2)c1	ZINC000096081938	431937762	/nfs/dbraw/zinc/93/77/62/431937762.db2.gz	DXABWUKLVGZTBK-NLWGTHIKSA-N	2	0	322.456	3.437	40	0		DGABRP
Cc1ccccc1C[N@@H+]1CC[C@]2(C1)C[C@@H]([NH+]1CCCC1)CCO2	ZINC000096207362	431942820	/nfs/dbraw/zinc/94/28/20/431942820.db2.gz	NWVHPJGBXLRORU-VQTJNVASSA-N	2	0	314.473	3.214	40	0		DGABRP
Fc1ccc(C[NH+]2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)cc1	ZINC000096220744	282977096	/nfs/dbraw/zinc/97/70/96/282977096.db2.gz	WJTQRSUDHRZICH-SFHVURJKSA-N	2	0	318.436	3.045	40	0		DGABRP
COC[C@@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](C(C)C)CC2	ZINC000585103203	400125579	/nfs/dbraw/zinc/12/55/79/400125579.db2.gz	NCSRMOVWRPOQTD-INIZCTEOSA-N	2	0	322.518	3.317	40	0		DGABRP
c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)co1	ZINC000096046507	431935432	/nfs/dbraw/zinc/93/54/32/431935432.db2.gz	POUOPHQXUBKZOM-UHFFFAOYSA-N	2	0	311.429	3.163	40	0		DGABRP
C[NH+](C)[C@@H]1CCO[C@]2(CC[N@H+](Cc3cccc(Cl)c3)C2)C1	ZINC000096205912	431942464	/nfs/dbraw/zinc/94/24/64/431942464.db2.gz	WWILGHLDWMESNJ-IAGOWNOFSA-N	2	0	308.853	3.025	40	0		DGABRP
Cc1ccc(-c2cnc3n2C[C@@H]2C[N@@H+](CC4CC4)C[C@H]2C3)cc1	ZINC000306140225	434083054	/nfs/dbraw/zinc/08/30/54/434083054.db2.gz	UNIZCVOBSDJNGN-MSOLQXFVSA-N	2	0	307.441	3.373	40	0		DGABRP
[NH3+][C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1OCc1ccccc1	ZINC000242649024	257120299	/nfs/dbraw/zinc/12/02/99/257120299.db2.gz	RRNLSOSWIHMGHJ-XWSJACJDSA-N	2	0	302.462	3.374	40	0		DGABRP
COC[C@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](C(C)C)CC2	ZINC000585103204	400126010	/nfs/dbraw/zinc/12/60/10/400126010.db2.gz	NCSRMOVWRPOQTD-MRXNPFEDSA-N	2	0	322.518	3.317	40	0		DGABRP
C[NH+](C)[C@H]1CCOC2(CC[NH+](Cc3ccccc3Cl)CC2)C1	ZINC000108527803	431146303	/nfs/dbraw/zinc/14/63/03/431146303.db2.gz	YFRSPACCFOOXMB-INIZCTEOSA-N	2	0	322.880	3.415	40	0		DGABRP
C[C@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCC[NH2+]C2)C1	ZINC000072394701	431334405	/nfs/dbraw/zinc/33/44/05/431334405.db2.gz	KNCLSRWZFJXARD-LSDHHAIUSA-N	2	0	312.461	3.262	40	0		DGABRP
[NH3+]CCCC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000034196274	431818756	/nfs/dbraw/zinc/81/87/56/431818756.db2.gz	NSMZTYPXRYZENQ-UHFFFAOYSA-N	2	0	323.484	3.133	40	0		DGABRP
Cc1ncsc1C[N@H+]1CC[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1	ZINC000257299632	203023281	/nfs/dbraw/zinc/02/32/81/203023281.db2.gz	RQWIMAYSBUVTQB-AWEZNQCLSA-N	2	0	316.474	3.210	40	0		DGABRP
CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1N1CC[NH+](C)CC1	ZINC000072216605	257124774	/nfs/dbraw/zinc/12/47/74/257124774.db2.gz	QUWSAWOTOVJQMM-SFHVURJKSA-N	2	0	316.493	3.016	40	0		DGABRP
COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1ccccc1Cl)CC2	ZINC000247720541	432248011	/nfs/dbraw/zinc/24/80/11/432248011.db2.gz	ADMXNQJNAULPTD-INIZCTEOSA-N	2	0	322.880	3.130	40	0		DGABRP
Cc1ccc(C[NH+]2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)s1	ZINC000096047949	431935773	/nfs/dbraw/zinc/93/57/73/431935773.db2.gz	QQXSDPDMBXBJCL-MRXNPFEDSA-N	2	0	320.502	3.276	40	0		DGABRP
c1coc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1	ZINC000096046505	431935855	/nfs/dbraw/zinc/93/58/55/431935855.db2.gz	PHSUEDZXUWCHBT-UHFFFAOYSA-N	2	0	311.429	3.163	40	0		DGABRP
c1ccc(C[NH+]2CCC3(CC2)C[NH2+]Cc2ccccc2O3)cc1	ZINC000019371898	285474520	/nfs/dbraw/zinc/47/45/20/285474520.db2.gz	UGKULGQTOXRYKV-UHFFFAOYSA-N	2	0	308.425	3.203	40	0		DGABRP
COC[C@@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1ccc(C)o1)CC2	ZINC000096051753	431935987	/nfs/dbraw/zinc/93/59/87/431935987.db2.gz	JLBACAKNVDPQHB-KRWDZBQOSA-N	2	0	320.477	3.299	40	0		DGABRP
CNc1cc(C)[nH+]c([C@H]2CC[N@H+](Cc3scnc3C)C2)c1	ZINC000257231369	432421413	/nfs/dbraw/zinc/42/14/13/432421413.db2.gz	GGKGVTLINALTOD-ZDUSSCGKSA-N	2	0	302.447	3.186	40	0		DGABRP
CC[NH+](CC)C[C@H](O)CNc1c(C)c[nH+]c2cc(Cl)ccc21	ZINC000001700232	276108899	/nfs/dbraw/zinc/10/88/99/276108899.db2.gz	DPTZFBWALSIQRG-CQSZACIVSA-N	2	0	321.852	3.311	40	0		DGABRP
C[C@H](CCC[NH2+]CCO)Nc1ccnc2cc(Cl)ccc21	ZINC000001843040	431238209	/nfs/dbraw/zinc/23/82/09/431238209.db2.gz	XFICNUNWUREFDP-GFCCVEGCSA-N	2	0	307.825	3.051	40	0	in-man	DGABRP
C[C@@H](CCC[NH2+]CCO)Nc1ccnc2cc(Cl)ccc21	ZINC000001843038	431238691	/nfs/dbraw/zinc/23/86/91/431238691.db2.gz	XFICNUNWUREFDP-LBPRGKRZSA-N	2	0	307.825	3.051	40	0	in-man	DGABRP
c1csc(C[NH+]2CCC3(CC2)CC[NH+](CC2CC2)CC3)n1	ZINC000096047223	431934890	/nfs/dbraw/zinc/93/48/90/431934890.db2.gz	FGOYLJCABWMWIO-UHFFFAOYSA-N	2	0	305.491	3.231	40	0		DGABRP
COC[C@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1cccc3ccccc31)C2	ZINC000096217142	431942732	/nfs/dbraw/zinc/94/27/32/431942732.db2.gz	PKLRBZHMOFZTRV-TZIWHRDSSA-N	2	0	324.468	3.240	40	0		DGABRP
C/C1=[NH+]\C[C@@H](C)NC(C)(C)C/C(C)=[NH+]/[C@H](C)CNC(C)(C)C1	ZINC000068604772	431134970	/nfs/dbraw/zinc/13/49/70/431134970.db2.gz	VPWMRWNDCNUCTC-LVRPSKTRSA-N	2	0	308.514	3.215	40	0		DGABRP
C[NH2+]Cc1cc([C@H]2CC[C@H](C[N@H+](C)C3CCCC3)CC2)nn1C	ZINC000100687647	431982658	/nfs/dbraw/zinc/98/26/58/431982658.db2.gz	JWLZDFMYPAZHLH-IYBDPMFKSA-N	2	0	318.509	3.288	40	0		DGABRP
c1ncc(CN[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1	ZINC000195559939	432628077	/nfs/dbraw/zinc/62/80/77/432628077.db2.gz	DBWMNLQTOBNVCP-NJAFHUGGSA-N	2	0	313.470	3.143	40	0		DGABRP
C[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCC[NH2+]C2)C1	ZINC000072394700	191150106	/nfs/dbraw/zinc/15/01/06/191150106.db2.gz	KNCLSRWZFJXARD-HUUCEWRRSA-N	2	0	312.461	3.262	40	0		DGABRP
C[NH2+]CCC[NH2+]Cc1cccc(OCc2ccccc2F)c1	ZINC000008377198	431397363	/nfs/dbraw/zinc/39/73/63/431397363.db2.gz	AMAVGBGZXPXQIJ-UHFFFAOYSA-N	2	0	302.393	3.104	40	0		DGABRP
CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C	ZINC000047219102	431907110	/nfs/dbraw/zinc/90/71/10/431907110.db2.gz	IBKWXUJBWVTAIY-LSDHHAIUSA-N	2	0	300.487	3.064	40	0		DGABRP
CC[NH+](CC)[C@@H]1CCO[C@]2(CC[N@H+](Cc3ccsc3)C2)C1	ZINC000096206020	431942579	/nfs/dbraw/zinc/94/25/79/431942579.db2.gz	QDHPLFQSJNMHEM-IAGOWNOFSA-N	2	0	308.491	3.213	40	0		DGABRP
Fc1ccccc1C[N@@H+]1CC[C@]2(C1)C[C@@H]([NH+]1CCCC1)CCO2	ZINC000096207662	431943082	/nfs/dbraw/zinc/94/30/82/431943082.db2.gz	CYGQTVHSXNFQDC-PKOBYXMFSA-N	2	0	318.436	3.045	40	0		DGABRP
COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1cc(C)ccc1C)CC2	ZINC000248121911	432268548	/nfs/dbraw/zinc/26/85/48/432268548.db2.gz	KNKRYNAXLYAPJO-IBGZPJMESA-N	2	0	316.489	3.094	40	0		DGABRP
CC1=[NH+]CCC[NH2+]C(C)(C)CC(C)=[NH+]CCC[NH2+]C(C)(C)C1	ZINC001547138091	1186056136	/nfs/dbraw/zinc/05/61/36/1186056136.db2.gz	MSSQKRFDIDGBSG-UHFFFAOYSA-N	4	0	308.514	3.219	40	0		DGABRP
Cc1cc(C)c(C[n+]2ccccc2)c(C)c1C[n+]1ccccc1	ZINC000002565161	431258274	/nfs/dbraw/zinc/25/82/74/431258274.db2.gz	INKXZWDSHSEQRC-UHFFFAOYSA-N	2	0	304.437	3.283	40	0		DGABRP
C[N@H+](C[C@@H]1CCC[C@@H]2C[NH+](Cc3nccs3)C[C@@H]21)C1CC1	ZINC000096081899	431938215	/nfs/dbraw/zinc/93/82/15/431938215.db2.gz	QSCYHQQWRLCXLV-SQWLQELKSA-N	2	0	305.491	3.085	40	0		DGABRP
Fc1ccccc1C[N@@H+]1CC[C@]2(C1)C[C@H]([NH+]1CCCC1)CCO2	ZINC000096206810	431943134	/nfs/dbraw/zinc/94/31/34/431943134.db2.gz	CYGQTVHSXNFQDC-IEBWSBKVSA-N	2	0	318.436	3.045	40	0		DGABRP
CC1=[NH+]C[C@H](C)NC(C)(C)CC(C)=[NH+][C@H](C)CNC(C)(C)C1	ZINC001547138098	1186055882	/nfs/dbraw/zinc/05/58/82/1186055882.db2.gz	VPWMRWNDCNUCTC-CVEARBPZSA-N	2	0	308.514	3.215	40	0		DGABRP
CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1	ZINC000072216606	257125209	/nfs/dbraw/zinc/12/52/09/257125209.db2.gz	VPRYVECOXSEGBR-GOSISDBHSA-N	2	0	316.493	3.161	40	0		DGABRP
COc1cccc(C[NH+]2CCC3(CC[N@H+](CC4CC4)C3)CC2)c1	ZINC000096046652	431934978	/nfs/dbraw/zinc/93/49/78/431934978.db2.gz	JQWDKBUDHNFDQB-UHFFFAOYSA-N	2	0	314.473	3.393	40	0		DGABRP
Cn1cccc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1	ZINC000096062856	431936448	/nfs/dbraw/zinc/93/64/48/431936448.db2.gz	HDTVGTFJVMLJIC-UHFFFAOYSA-N	2	0	313.445	3.106	40	0		DGABRP
c1ncc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)s1	ZINC000195559936	432628564	/nfs/dbraw/zinc/62/85/64/432628564.db2.gz	DBWMNLQTOBNVCP-BPQIPLTHSA-N	2	0	313.470	3.143	40	0		DGABRP
CC1=[NH+]C[C@H](C)NC(C)(C)CC(C)=[NH+][C@@H](C)CNC(C)(C)C1	ZINC001547138099	1186056396	/nfs/dbraw/zinc/05/63/96/1186056396.db2.gz	VPWMRWNDCNUCTC-HOTGVXAUSA-N	2	0	308.514	3.215	40	0		DGABRP
C[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C1	ZINC000072394684	191149003	/nfs/dbraw/zinc/14/90/03/191149003.db2.gz	GWZYCPNARHGSEZ-CQSZACIVSA-N	2	0	312.461	3.262	40	0		DGABRP
[NH2+]=C1c2ccccc2CN1CCCN1Cc2ccccc2C1=[NH2+]	ZINC000027232458	182466674	/nfs/dbraw/zinc/46/66/74/182466674.db2.gz	RORYETTXZDSIFM-UHFFFAOYSA-N	2	0	304.397	3.059	40	0		DGABRP
COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1ccccc1Cl)CC2	ZINC000247720548	432249365	/nfs/dbraw/zinc/24/93/65/432249365.db2.gz	ADMXNQJNAULPTD-MRXNPFEDSA-N	2	0	322.880	3.130	40	0		DGABRP
c1cnc2[nH]c(C3CC[NH2+]CC3)c(C[NH+]3CCCCCC3)c2c1	ZINC000072394688	275073521	/nfs/dbraw/zinc/07/35/21/275073521.db2.gz	IGQYSBRWOIMZJP-UHFFFAOYSA-N	2	0	312.461	3.406	40	0		DGABRP
Fc1ccc(Cn2c3ccccc3nc2NC2CC[NH2+]CC2)cc1	ZINC000000002303	431111869	/nfs/dbraw/zinc/11/18/69/431111869.db2.gz	SFOVDSLXFUGAIV-UHFFFAOYSA-N	2	0	324.403	3.388	40	0	investigational	DGABRP
O=C(C[NH2+]C1CCCC1)Nc1ccc(C[NH+]2CCCCC2)cc1	ZINC000035313637	431829653	/nfs/dbraw/zinc/82/96/53/431829653.db2.gz	PFMJJNBJDBVSCZ-UHFFFAOYSA-N	2	0	315.461	3.143	40	0		DGABRP
CC1=[NH+]C[C@@H](C)NC(C)(C)CC(C)=[NH+][C@@H](C)CNC(C)(C)C1	ZINC001547138101	1186055905	/nfs/dbraw/zinc/05/59/05/1186055905.db2.gz	VPWMRWNDCNUCTC-JKSUJKDBSA-N	2	0	308.514	3.215	40	0		DGABRP
CC1CC[NH+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)CC1	ZINC000072394686	191149945	/nfs/dbraw/zinc/14/99/45/191149945.db2.gz	CWWFTSPNGWBVCU-UHFFFAOYSA-N	2	0	312.461	3.262	40	0		DGABRP
CCCCC[C@H]1[C@H](CC(=O)OC)CC[C@@H]1[NH2+]CCC[NH+](C)C	ZINC000004834895	181159536	/nfs/dbraw/zinc/15/95/36/181159536.db2.gz	DITWSVCWNJUFDK-ULQDDVLXSA-N	2	0	312.498	3.066	40	0		DGABRP
Cc1ncsc1C[N@H+]1CC[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1	ZINC000257299633	203024186	/nfs/dbraw/zinc/02/41/86/203024186.db2.gz	RQWIMAYSBUVTQB-CQSZACIVSA-N	2	0	316.474	3.210	40	0		DGABRP
CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1	ZINC000072216546	257125517	/nfs/dbraw/zinc/12/55/17/257125517.db2.gz	XQFDWQDXWAUIQH-GOSISDBHSA-N	2	0	316.493	3.161	40	0		DGABRP
C/C1=[NH+]\C[C@H](C)NC(C)(C)C/C(C)=[NH+]/[C@@H](C)CNC(C)(C)C1	ZINC000068604769	277733464	/nfs/dbraw/zinc/73/34/64/277733464.db2.gz	VPWMRWNDCNUCTC-JCBGGLNMSA-N	2	0	308.514	3.215	40	0		DGABRP
Cc1ccc(C[NH+]2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)s1	ZINC000096047948	193500960	/nfs/dbraw/zinc/50/09/60/193500960.db2.gz	QQXSDPDMBXBJCL-INIZCTEOSA-N	2	0	320.502	3.276	40	0		DGABRP
[NH3+][C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1OCc1ccccc1	ZINC000242649025	257119939	/nfs/dbraw/zinc/11/99/39/257119939.db2.gz	RRNLSOSWIHMGHJ-YDZRNGNQSA-N	2	0	302.462	3.374	40	0		DGABRP
CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1	ZINC000072216604	257125555	/nfs/dbraw/zinc/12/55/55/257125555.db2.gz	QUWSAWOTOVJQMM-GOSISDBHSA-N	2	0	316.493	3.016	40	0		DGABRP
COc1ncccc1C[N@@H+]1CCCC2(CC[NH+](C(C)C)CC2)C1	ZINC000096071784	431936874	/nfs/dbraw/zinc/93/68/74/431936874.db2.gz	RGDCBQHESFSMIU-UHFFFAOYSA-N	2	0	317.477	3.177	40	0		DGABRP
Cc1ccc(C[NH+]2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)cc1	ZINC000096158643	431940351	/nfs/dbraw/zinc/94/03/51/431940351.db2.gz	BVABHKILJXAHLL-IBGZPJMESA-N	2	0	314.473	3.214	40	0		DGABRP
c1cc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)co1	ZINC000306133951	434087073	/nfs/dbraw/zinc/08/70/73/434087073.db2.gz	NAFLIOPQGUPNNO-QZTJIDSGSA-N	2	0	319.408	3.447	40	0		DGABRP
COc1ccc(/C=C/c2cccc[n+]2C)cc1C[NH+]1CCCC1	ZINC000005002317	190620710	/nfs/dbraw/zinc/62/07/10/190620710.db2.gz	TWSLXAWBXVBDSU-CSKARUKUSA-N	2	0	309.433	3.286	40	0		DGABRP
CNc1cc(C)[nH+]c([C@H]2CC[N@H+](Cc3ccnn3C(C)C)C2)c1	ZINC000257318505	203042592	/nfs/dbraw/zinc/04/25/92/203042592.db2.gz	VOFVLJMUDWPYRX-HNNXBMFYSA-N	2	0	313.449	3.199	40	0		DGABRP
CNc1cc(C)[nH+]c([C@@H]2CC[N@H+](Cc3ccnn3C(C)C)C2)c1	ZINC000257318506	203042834	/nfs/dbraw/zinc/04/28/34/203042834.db2.gz	VOFVLJMUDWPYRX-OAHLLOKOSA-N	2	0	313.449	3.199	40	0		DGABRP
Cc1ccc(C[NH+]2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)cc1	ZINC000096158644	431940627	/nfs/dbraw/zinc/94/06/27/431940627.db2.gz	BVABHKILJXAHLL-LJQANCHMSA-N	2	0	314.473	3.214	40	0		DGABRP
C/C1=[NH+]\C[C@H](C)NC(C)(C)C/C(C)=[NH+]/[C@H](C)CNC(C)(C)C1	ZINC000068604766	190778842	/nfs/dbraw/zinc/77/88/42/190778842.db2.gz	VPWMRWNDCNUCTC-CRBPQOBPSA-N	2	0	308.514	3.215	40	0		DGABRP
Cc1nc(Cn2ccnc2[C@H]2C[N@@H+](C)Cc3ccccc32)cs1	ZINC000306143572	434085065	/nfs/dbraw/zinc/08/50/65/434085065.db2.gz	YFRKEUYTBJHQEO-KRWDZBQOSA-N	2	0	324.453	3.274	40	0		DGABRP
Nc1ccc2[nH]c(CCCCc3[nH]c4ccc(N)cc4[nH+]3)[nH+]c2c1	ZINC000005027633	181192493	/nfs/dbraw/zinc/19/24/93/181192493.db2.gz	QXXOTTARWLISGW-UHFFFAOYSA-N	2	0	320.400	3.169	40	0		DGABRP
COC[C@H]1C[N@H+](Cc2ccsc2)CC12CC[NH+](C(C)C)CC2	ZINC000585103317	400125989	/nfs/dbraw/zinc/12/59/89/400125989.db2.gz	OGSURUXUCANURR-QGZVFWFLSA-N	2	0	322.518	3.317	40	0		DGABRP
Cc1ccc(-c2cnc3n2C[C@H]2C[N@@H+](CC4CC4)C[C@@H]2C3)cc1	ZINC000306140228	434086684	/nfs/dbraw/zinc/08/66/84/434086684.db2.gz	UNIZCVOBSDJNGN-ZWKOTPCHSA-N	2	0	307.441	3.373	40	0		DGABRP
CC(C)c1nc([C@@H]2CC3(CN2C)CC[NH+](CC2CC2)CC3)no1	ZINC001772494715	1176740018	/nfs/dbraw/zinc/74/00/18/1176740018.db2.gz	BEKKXIHDBQBUGT-HNNXBMFYSA-N	2	0	318.465	3.062	40	0		DGABRP
CC(C)c1nc([C@H]2CC3(CN2C)CC[NH+](CC2CC2)CC3)no1	ZINC001772494716	1176740248	/nfs/dbraw/zinc/74/02/48/1176740248.db2.gz	BEKKXIHDBQBUGT-OAHLLOKOSA-N	2	0	318.465	3.062	40	0		DGABRP
C[NH+](C)[C@@H]1CCO[C@]2(CC[N@H+](Cc3ccccc3Cl)C2)C1	ZINC000096205885	431943144	/nfs/dbraw/zinc/94/31/44/431943144.db2.gz	OBXXTYYJBSXFKD-NVXWUHKLSA-N	2	0	308.853	3.025	40	0		DGABRP
C[NH+](C)Cc1cnc(CC2CC[NH+](C3CCCCC3)CC2)cn1	ZINC000257250775	432422571	/nfs/dbraw/zinc/42/25/71/432422571.db2.gz	JNXYAQBGUXLISV-UHFFFAOYSA-N	2	0	316.493	3.125	40	0		DGABRP
C[NH2+]CCCNc1cc(C)[nH+]c2ccc(Br)cc12	ZINC000222687791	432672228	/nfs/dbraw/zinc/67/22/28/432672228.db2.gz	SSLHIKKGCZWGKM-UHFFFAOYSA-N	2	0	308.223	3.327	40	0		DGABRP
CC[NH+](CC)C[C@@H](O)CNc1c(C)c[nH+]c2cc(Cl)ccc21	ZINC000016890043	182062456	/nfs/dbraw/zinc/06/24/56/182062456.db2.gz	DPTZFBWALSIQRG-AWEZNQCLSA-N	2	0	321.852	3.311	40	0		DGABRP
CCCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1	ZINC000072216547	257125258	/nfs/dbraw/zinc/12/52/58/257125258.db2.gz	XQFDWQDXWAUIQH-SFHVURJKSA-N	2	0	316.493	3.161	40	0		DGABRP
CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1	ZINC000072216544	257125308	/nfs/dbraw/zinc/12/53/08/257125308.db2.gz	LAWOIOBXQBVBHF-GOSISDBHSA-N	2	0	316.493	3.016	40	0		DGABRP