smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)Cc1cc(Cc2ccccc2)cc(C2CCCCC2)c1O	ZINC000001592132	563892844	/nfs/dbraw/zinc/89/28/44/563892844.db2.gz	LZQLEUJFVOTLFN-UHFFFAOYSA-N	1	0	323.480	5.092	40	10		DKCBRO
CCCC[N@H+](Cc1ccccc1)Cc1ccc(N(CC)CC)cc1	ZINC000001644117	563289262	/nfs/dbraw/zinc/28/92/62/563289262.db2.gz	YZPQQCILOKVRBW-UHFFFAOYSA-N	1	0	324.512	5.335	40	10		DKCBRO
CC(C)(C)CC(C)(C)c1ccc(O)c(C[NH+]2CCCCC2)c1	ZINC000001706378	563292490	/nfs/dbraw/zinc/29/24/90/563292490.db2.gz	GWNLLAJONXXKEC-UHFFFAOYSA-N	1	0	303.490	5.092	40	10		DKCBRO
CCN(CC)c1ccc(CNc2cc(C)[nH+]c3ccccc23)cc1	ZINC000001729640	563293952	/nfs/dbraw/zinc/29/39/52/563293952.db2.gz	BJOMRYYBSOHJLR-UHFFFAOYSA-N	1	0	319.452	5.002	40	10		DKCBRO
Oc1c2ccccc2ccc1[C@@H](c1ccccc1)[NH+]1CCCCC1	ZINC000001754415	563295364	/nfs/dbraw/zinc/29/53/64/563295364.db2.gz	BHQMZYFPNOMHJJ-OAQYLSRUSA-N	1	0	317.432	5.121	40	10		DKCBRO
CCCc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000005011801	563329000	/nfs/dbraw/zinc/32/90/00/563329000.db2.gz	ZDJLOUQRTLSTOF-UHFFFAOYSA-N	1	0	312.416	6.084	40	10		DKCBRO
C[NH+](C)CC1=CC(=NNc2c(Cl)cccc2Cl)C=CC1=O	ZINC000006005896	181304699	/nfs/dbraw/zinc/30/46/99/181304699.db2.gz	BDUAUGFOKGYKLY-VHEBQXMUSA-N	1	0	324.211	5.176	40	10		DKCBRO
C[NH+](C)CC1=CC(=NNc2ccc(Cl)c(Cl)c2)C=CC1=O	ZINC000006005907	181304726	/nfs/dbraw/zinc/30/47/26/181304726.db2.gz	OJWIYISCKKCUHB-VHEBQXMUSA-N	1	0	324.211	5.176	40	10		DKCBRO
Oc1c2ccccc2ccc1[C@H](c1ccccc1)[NH+]1CCCCC1	ZINC000016973264	182066891	/nfs/dbraw/zinc/06/68/91/182066891.db2.gz	BHQMZYFPNOMHJJ-NRFANRHFSA-N	1	0	317.432	5.121	40	10		DKCBRO
C[NH+](C)CC1=CC(=NNc2c(Cl)cccc2Cl)C=CC1=O	ZINC000104312696	563563720	/nfs/dbraw/zinc/56/37/20/563563720.db2.gz	BDUAUGFOKGYKLY-HNENSFHCSA-N	1	0	324.211	5.176	40	10		DKCBRO
C[NH+](C)CC1=CC(=NNc2ccc(Cl)c(Cl)c2)C=CC1=O	ZINC000104312745	563563728	/nfs/dbraw/zinc/56/37/28/563563728.db2.gz	OJWIYISCKKCUHB-HNENSFHCSA-N	1	0	324.211	5.176	40	10		DKCBRO
CC(C)(C)c1ccc(N[N+](=O)c2ccc(C(C)(C)C)cc2)cc1	ZINC000104363003	194002146	/nfs/dbraw/zinc/00/21/46/194002146.db2.gz	WFXAMPJSIJWEGH-UHFFFAOYSA-N	1	0	310.441	6.207	40	10		DKCBRO
CCCC[NH2+]Cc1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	ZINC000223674931	563735105	/nfs/dbraw/zinc/73/51/05/563735105.db2.gz	JTDXMCIYMNNIQO-UHFFFAOYSA-N	1	0	324.390	5.003	40	10		DKCBRO
CCCCN1c2cc(Cl)c(C[NH2+]CC)cc2[C@@H](C)CC1(C)C	ZINC000223785492	563736676	/nfs/dbraw/zinc/73/66/76/563736676.db2.gz	HHSMARGNQCXINE-AWEZNQCLSA-N	1	0	322.924	5.342	40	10		DKCBRO
CCCCN1c2ccc(C[NH2+]CCC)cc2[C@@H](C)CC1(C)C	ZINC000223786903	563736643	/nfs/dbraw/zinc/73/66/43/563736643.db2.gz	BAPQMVYINUQLIM-INIZCTEOSA-N	1	0	302.506	5.079	40	10		DKCBRO
CCCCN1c2cc(C)c(C[NH2+]CCC)cc2[C@@H](C)CC1(C)C	ZINC000223787243	201656990	/nfs/dbraw/zinc/65/69/90/201656990.db2.gz	WDAJIGJOODVNIP-KRWDZBQOSA-N	1	0	316.533	5.387	40	10		DKCBRO
CCC[NH2+]Cc1cc2c(cc1Cl)N(CCC)C(C)(C)C[C@@H]2C	ZINC000223787500	563736651	/nfs/dbraw/zinc/73/66/51/563736651.db2.gz	FSZFMOCAOJKHMA-AWEZNQCLSA-N	1	0	322.924	5.342	40	10		DKCBRO
CCC[NH2+]Cc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@@H]2C	ZINC000223787577	563736386	/nfs/dbraw/zinc/73/63/86/563736386.db2.gz	DYKFZHDVBNYCHK-AWEZNQCLSA-N	1	0	322.924	5.340	40	10		DKCBRO
CCCCN1c2cc(F)c(C[NH2+]CCC)cc2[C@@H](C)CC1(C)C	ZINC000223788011	563736622	/nfs/dbraw/zinc/73/66/22/563736622.db2.gz	CPHJLJDIOPCYBI-HNNXBMFYSA-N	1	0	320.496	5.218	40	10		DKCBRO
CCCCN1c2ccc(C[NH2+]C(C)C)cc2[C@@H](C)CC1(C)C	ZINC000223788942	201655485	/nfs/dbraw/zinc/65/54/85/201655485.db2.gz	GPYPCKXYQJMQJQ-INIZCTEOSA-N	1	0	302.506	5.077	40	10		DKCBRO
CCCCN1c2cc(C)c(C[NH2+]C(C)C)cc2[C@@H](C)CC1(C)C	ZINC000223789470	563736600	/nfs/dbraw/zinc/73/66/00/563736600.db2.gz	PLYRNMZMNFZMPO-KRWDZBQOSA-N	1	0	316.533	5.385	40	10		DKCBRO
CCCN1c2cc(Cl)c(C[NH2+]C(C)C)cc2[C@@H](C)CC1(C)C	ZINC000223789704	563736608	/nfs/dbraw/zinc/73/66/08/563736608.db2.gz	MYVADJUTNZWAMD-AWEZNQCLSA-N	1	0	322.924	5.340	40	10		DKCBRO
CC(C)[NH2+]Cc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@@H]2C	ZINC000223789793	563736414	/nfs/dbraw/zinc/73/64/14/563736414.db2.gz	YTFQYTZCYQSJEJ-AWEZNQCLSA-N	1	0	322.924	5.339	40	10		DKCBRO
CCCCN1c2cc(F)c(C[NH2+]C(C)C)cc2[C@@H](C)CC1(C)C	ZINC000223790299	563736646	/nfs/dbraw/zinc/73/66/46/563736646.db2.gz	BSEDJUYUANQORF-HNNXBMFYSA-N	1	0	320.496	5.216	40	10		DKCBRO
CCCCN1c2cc(Cl)c(C[NH2+]CC)cc2C(C)=CC1(C)C	ZINC000223800279	563736534	/nfs/dbraw/zinc/73/65/34/563736534.db2.gz	HHAGZASYVNKUAP-UHFFFAOYSA-N	1	0	320.908	5.252	40	10		DKCBRO
CCCCN1c2cc(C)c(C[NH2+]CCC)cc2C(C)=CC1(C)C	ZINC000223801943	201657590	/nfs/dbraw/zinc/65/75/90/201657590.db2.gz	CGAYZDZJSDYLDI-UHFFFAOYSA-N	1	0	314.517	5.297	40	10		DKCBRO
CCC[NH2+]Cc1cc2c(cc1Cl)N(CCC)C(C)(C)C=C2C	ZINC000223802204	563736569	/nfs/dbraw/zinc/73/65/69/563736569.db2.gz	DNMPPTKCIPXZOK-UHFFFAOYSA-N	1	0	320.908	5.252	40	10		DKCBRO
CCC[NH2+]Cc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C=C2C	ZINC000223802291	563736588	/nfs/dbraw/zinc/73/65/88/563736588.db2.gz	SJSZXXBKZIPIQF-UHFFFAOYSA-N	1	0	320.908	5.250	40	10		DKCBRO
CCCCN1c2cc(C)c(C[NH2+]C(C)C)cc2C(C)=CC1(C)C	ZINC000223822032	201658183	/nfs/dbraw/zinc/65/81/83/201658183.db2.gz	WKGXRPUZPSDLMC-UHFFFAOYSA-N	1	0	314.517	5.295	40	10		DKCBRO
CCCCN1c2ccc(C[NH2+]CCC)cc2[C@H](C)CC1(C)C	ZINC000260714165	563926357	/nfs/dbraw/zinc/92/63/57/563926357.db2.gz	BAPQMVYINUQLIM-MRXNPFEDSA-N	1	0	302.506	5.079	40	10		DKCBRO
CCCCN1c2cc(F)c(C[NH2+]C(C)C)cc2[C@H](C)CC1(C)C	ZINC000260714238	563926271	/nfs/dbraw/zinc/92/62/71/563926271.db2.gz	BSEDJUYUANQORF-OAHLLOKOSA-N	1	0	320.496	5.216	40	10		DKCBRO
CCCCN1c2cc(F)c(C[NH2+]CCC)cc2[C@H](C)CC1(C)C	ZINC000260714493	563926263	/nfs/dbraw/zinc/92/62/63/563926263.db2.gz	CPHJLJDIOPCYBI-OAHLLOKOSA-N	1	0	320.496	5.218	40	10		DKCBRO
CCC[NH2+]Cc1cc2c(cc1Cl)N(CCC)C(C)(C)C[C@H]2C	ZINC000260716795	333591104	/nfs/dbraw/zinc/59/11/04/333591104.db2.gz	FSZFMOCAOJKHMA-CQSZACIVSA-N	1	0	322.924	5.342	40	10		DKCBRO
CCCCN1c2ccc(C[NH2+]C(C)C)cc2[C@H](C)CC1(C)C	ZINC000260716855	563926297	/nfs/dbraw/zinc/92/62/97/563926297.db2.gz	GPYPCKXYQJMQJQ-MRXNPFEDSA-N	1	0	302.506	5.077	40	10		DKCBRO
CCCCN1c2cc(Cl)c(C[NH2+]CC)cc2[C@H](C)CC1(C)C	ZINC000260716958	563926321	/nfs/dbraw/zinc/92/63/21/563926321.db2.gz	HHSMARGNQCXINE-CQSZACIVSA-N	1	0	322.924	5.342	40	10		DKCBRO
CCCN1c2cc(Cl)c(C[NH2+]C(C)C)cc2[C@H](C)CC1(C)C	ZINC000260719803	563926286	/nfs/dbraw/zinc/92/62/86/563926286.db2.gz	MYVADJUTNZWAMD-CQSZACIVSA-N	1	0	322.924	5.340	40	10		DKCBRO
CCCCN1c2cc(C)c(C[NH2+]C(C)C)cc2[C@H](C)CC1(C)C	ZINC000260722513	333592070	/nfs/dbraw/zinc/59/20/70/333592070.db2.gz	PLYRNMZMNFZMPO-QGZVFWFLSA-N	1	0	316.533	5.385	40	10		DKCBRO
CCCCN1c2cc(C)c(C[NH2+]CCC)cc2[C@H](C)CC1(C)C	ZINC000260725433	333592093	/nfs/dbraw/zinc/59/20/93/333592093.db2.gz	WDAJIGJOODVNIP-QGZVFWFLSA-N	1	0	316.533	5.387	40	10		DKCBRO
CC(C)[NH2+]Cc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@H]2C	ZINC000260726476	563926284	/nfs/dbraw/zinc/92/62/84/563926284.db2.gz	YTFQYTZCYQSJEJ-CQSZACIVSA-N	1	0	322.924	5.339	40	10		DKCBRO
O=[N+](Nc1ccccc1)c1ccc(N=Nc2ccccc2)cc1	ZINC000368119781	332333512	/nfs/dbraw/zinc/33/35/12/332333512.db2.gz	ZRIXIGWEFBWFPY-UHFFFAOYSA-N	1	0	303.345	5.540	40	10		DKCBRO