smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCC(O)CC2)cc1)c1cn(-c2ccccc2)nn1	ZINC000181336933	883140460	/nfs/dbraw/zinc/14/04/60/883140460.db2.gz	FHMSYPZXCNUUAA-ZWKOTPCHSA-N	1	1	391.519	3.640	10	10		GHCEMO
C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[N@H+]1C	ZINC000588553162	848508722	/nfs/dbraw/zinc/50/87/22/848508722.db2.gz	RYHOVWMDKRRSLI-UZLBHIALSA-N	1	1	393.491	3.982	10	10		GHCEMO
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1	ZINC000175281280	882564742	/nfs/dbraw/zinc/56/47/42/882564742.db2.gz	PMMVZHIIELWVAV-UHFFFAOYSA-N	1	1	395.551	3.657	10	10		GHCEMO
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C	ZINC000116569927	886368306	/nfs/dbraw/zinc/36/83/06/886368306.db2.gz	GVVSAQQICRIYRE-GHTZIAJQSA-N	1	1	396.535	3.619	10	10		GHCEMO
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C	ZINC000246896388	891322785	/nfs/dbraw/zinc/32/27/85/891322785.db2.gz	GVVSAQQICRIYRE-WIYYLYMNSA-N	1	1	396.535	3.619	10	10		GHCEMO
Cc1cc(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c(C)n1-c1ccccn1	ZINC000116836794	873726819	/nfs/dbraw/zinc/72/68/19/873726819.db2.gz	LNPXJEZMAICXJK-UHFFFAOYSA-N	1	1	389.503	3.591	10	10		GHCEMO
CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(N2CCC(O)CC2)cc1	ZINC000167908451	864917212	/nfs/dbraw/zinc/91/72/12/864917212.db2.gz	YCKYBAKSNAUTCP-OXQOHEQNSA-N	1	1	383.540	3.548	10	10		GHCEMO
CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1	ZINC000168041223	865089878	/nfs/dbraw/zinc/08/98/78/865089878.db2.gz	PBJZQDGSUMBGKJ-QAPCUYQASA-N	1	1	387.503	3.563	10	10		GHCEMO
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C	ZINC000116569930	886367907	/nfs/dbraw/zinc/36/79/07/886367907.db2.gz	GVVSAQQICRIYRE-RXVVDRJESA-N	1	1	396.535	3.619	10	10		GHCEMO
COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)CC2)cc1	ZINC000022914561	207266004	/nfs/dbraw/zinc/26/60/04/207266004.db2.gz	NWAQAOGVPPUOER-QFIPXVFZSA-N	1	1	383.511	3.621	10	10		GHCEMO
COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)CC2)cc1	ZINC000022914561	207266006	/nfs/dbraw/zinc/26/60/06/207266006.db2.gz	NWAQAOGVPPUOER-QFIPXVFZSA-N	1	1	383.511	3.621	10	10		GHCEMO
C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[N@H+]1C	ZINC000588553161	848508838	/nfs/dbraw/zinc/50/88/38/848508838.db2.gz	RYHOVWMDKRRSLI-OXQOHEQNSA-N	1	1	393.491	3.982	10	10		GHCEMO
CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1	ZINC000168041124	865090128	/nfs/dbraw/zinc/09/01/28/865090128.db2.gz	PBJZQDGSUMBGKJ-MAUKXSAKSA-N	1	1	387.503	3.563	10	10		GHCEMO
COc1ccccc1-c1noc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1	ZINC000070976703	891223870	/nfs/dbraw/zinc/22/38/70/891223870.db2.gz	VTZAMONZACUCTG-KRWDZBQOSA-N	1	1	395.459	3.632	10	10		GHCEMO
COc1ccccc1-c1noc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1	ZINC000070976703	891223882	/nfs/dbraw/zinc/22/38/82/891223882.db2.gz	VTZAMONZACUCTG-KRWDZBQOSA-N	1	1	395.459	3.632	10	10		GHCEMO
Cc1cc(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)c(C)n1-c1ccccn1	ZINC000124199988	886717047	/nfs/dbraw/zinc/71/70/47/886717047.db2.gz	ONHIYLGCAVIVOD-UHFFFAOYSA-N	1	1	389.503	3.591	10	10		GHCEMO
C[C@H]([NH2+][C@@H](C)c1ccc(N2CCC(O)CC2)cc1)c1cn(-c2ccccc2)nn1	ZINC000181336894	883139819	/nfs/dbraw/zinc/13/98/19/883139819.db2.gz	FHMSYPZXCNUUAA-ROUUACIJSA-N	1	1	391.519	3.640	10	10		GHCEMO
Oc1ccccc1C[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1	ZINC000179554430	883008511	/nfs/dbraw/zinc/00/85/11/883008511.db2.gz	FMOAVBJCNKNNNQ-CQSZACIVSA-N	1	1	376.382	3.833	10	10		GHCEMO
COc1ccccc1/C=C\C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	ZINC000588458041	843527710	/nfs/dbraw/zinc/52/77/10/843527710.db2.gz	QBIUYOBJLALMKV-CLFYSBASSA-N	1	1	398.503	3.556	10	10		GHCEMO
CCOC(=O)c1c(C)oc2c1c(C[NH+]1CCN(C)CC1)c(O)c1ccccc21	ZINC000022585529	207257186	/nfs/dbraw/zinc/25/71/86/207257186.db2.gz	YTZYXCPUTUKJMF-UHFFFAOYSA-N	1	1	382.460	3.524	10	10		GHCEMO
COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4cc(C)c(C)o4)C3)CC2)cc1	ZINC000020449641	207193293	/nfs/dbraw/zinc/19/32/93/207193293.db2.gz	MICXEXMNHUWQAO-OAQYLSRUSA-N	1	1	383.536	3.692	10	10		GHCEMO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4cc(C)c(C)o4)C3)CC2)cc1	ZINC000020449641	207193297	/nfs/dbraw/zinc/19/32/97/207193297.db2.gz	MICXEXMNHUWQAO-OAQYLSRUSA-N	1	1	383.536	3.692	10	10		GHCEMO
C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(N2CCC(O)CC2)cc1	ZINC000195137886	888649310	/nfs/dbraw/zinc/64/93/10/888649310.db2.gz	MWPWVAXHUJLTOD-IRLDBZIGSA-N	1	1	393.575	3.820	10	10		GHCEMO
C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(N2CCC(O)CC2)cc1	ZINC000195137905	888649713	/nfs/dbraw/zinc/64/97/13/888649713.db2.gz	MWPWVAXHUJLTOD-IFMALSPDSA-N	1	1	393.575	3.820	10	10		GHCEMO
CC(=O)N1CC[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)c2ccc(F)cc2C1	ZINC000191608359	884191536	/nfs/dbraw/zinc/19/15/36/884191536.db2.gz	CKBNSBYVDOTBSU-QGZVFWFLSA-N	1	1	380.822	3.907	10	10		GHCEMO
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1	ZINC000117057987	886377256	/nfs/dbraw/zinc/37/72/56/886377256.db2.gz	YUSLCWBTVPRWHR-UHFFFAOYSA-N	1	1	395.551	3.657	10	10		GHCEMO
C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[N@H+]1C	ZINC000588553160	848508505	/nfs/dbraw/zinc/50/85/05/848508505.db2.gz	RYHOVWMDKRRSLI-OXJNMPFZSA-N	1	1	393.491	3.982	10	10		GHCEMO
CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(N2CCC(O)CC2)cc1	ZINC000167908349	864917186	/nfs/dbraw/zinc/91/71/86/864917186.db2.gz	YCKYBAKSNAUTCP-UZLBHIALSA-N	1	1	383.540	3.548	10	10		GHCEMO
C[C@@H](NC1CC[NH+](CC2CCCC2)CC1)c1ccc(N2CCC(O)CC2)cc1	ZINC000120726725	876251319	/nfs/dbraw/zinc/25/13/19/876251319.db2.gz	LFNLIMOHKVGVAG-LJQANCHMSA-N	1	1	385.596	3.953	10	10		GHCEMO
CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(N2CCC(O)CC2)cc1	ZINC000167908144	864917384	/nfs/dbraw/zinc/91/73/84/864917384.db2.gz	YCKYBAKSNAUTCP-JXFKEZNVSA-N	1	1	383.540	3.548	10	10		GHCEMO
C[C@@H]([NH2+][C@H](C)c1ccc(N2CCC(O)CC2)cc1)c1cn(-c2ccccc2)nn1	ZINC000181336952	883139674	/nfs/dbraw/zinc/13/96/74/883139674.db2.gz	FHMSYPZXCNUUAA-QZTJIDSGSA-N	1	1	391.519	3.640	10	10		GHCEMO
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4cc(C)c(C)o4)C3)CC2)cc1	ZINC000020449643	210336808	/nfs/dbraw/zinc/33/68/08/210336808.db2.gz	MICXEXMNHUWQAO-NRFANRHFSA-N	1	1	383.536	3.692	10	10		GHCEMO
COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4cc(C)c(C)o4)C3)CC2)cc1	ZINC000020449643	210336804	/nfs/dbraw/zinc/33/68/04/210336804.db2.gz	MICXEXMNHUWQAO-NRFANRHFSA-N	1	1	383.536	3.692	10	10		GHCEMO
COc1ccc(N2CCN([C@H]3CCC[N@@H+](CCc4ccccc4)C3)CC2)cc1	ZINC000019742798	210291970	/nfs/dbraw/zinc/29/19/70/210291970.db2.gz	LPHCNSHLEBOULY-QHCPKHFHSA-N	1	1	379.548	3.524	10	10		GHCEMO
CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1	ZINC000168041308	865089959	/nfs/dbraw/zinc/08/99/59/865089959.db2.gz	PBJZQDGSUMBGKJ-CRAIPNDOSA-N	1	1	387.503	3.563	10	10		GHCEMO
COc1ccc(N2CCN([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)CC2)cc1	ZINC000019742796	210291437	/nfs/dbraw/zinc/29/14/37/210291437.db2.gz	LPHCNSHLEBOULY-HSZRJFAPSA-N	1	1	379.548	3.524	10	10		GHCEMO
C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[N@H+]1C	ZINC000588553159	848508809	/nfs/dbraw/zinc/50/88/09/848508809.db2.gz	RYHOVWMDKRRSLI-JXFKEZNVSA-N	1	1	393.491	3.982	10	10		GHCEMO
C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccc(N2CCC(O)CC2)cc1	ZINC000181336916	883140002	/nfs/dbraw/zinc/14/00/02/883140002.db2.gz	FHMSYPZXCNUUAA-MSOLQXFVSA-N	1	1	391.519	3.640	10	10		GHCEMO
COc1ccccc1-c1noc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1	ZINC000070976706	891224462	/nfs/dbraw/zinc/22/44/62/891224462.db2.gz	VTZAMONZACUCTG-QGZVFWFLSA-N	1	1	395.459	3.632	10	10		GHCEMO
COc1ccccc1-c1noc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1	ZINC000070976706	891224481	/nfs/dbraw/zinc/22/44/81/891224481.db2.gz	VTZAMONZACUCTG-QGZVFWFLSA-N	1	1	395.459	3.632	10	10		GHCEMO
C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(N2CCC(O)CC2)cc1	ZINC000195137896	888649417	/nfs/dbraw/zinc/64/94/17/888649417.db2.gz	MWPWVAXHUJLTOD-RBBKRZOGSA-N	1	1	393.575	3.820	10	10		GHCEMO
C[C@H](NC1CC[NH+](CC2CCCC2)CC1)c1ccc(N2CCC(O)CC2)cc1	ZINC000120726601	876250105	/nfs/dbraw/zinc/25/01/05/876250105.db2.gz	LFNLIMOHKVGVAG-IBGZPJMESA-N	1	1	385.596	3.953	10	10		GHCEMO
CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(N2CCC(O)CC2)cc1	ZINC000167908250	864917328	/nfs/dbraw/zinc/91/73/28/864917328.db2.gz	YCKYBAKSNAUTCP-OXJNMPFZSA-N	1	1	383.540	3.548	10	10		GHCEMO
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C	ZINC000246896358	891322226	/nfs/dbraw/zinc/32/22/26/891322226.db2.gz	GVVSAQQICRIYRE-NQIIRXRSSA-N	1	1	396.535	3.619	10	10		GHCEMO
CC(=O)N1CC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)c2ccc(F)cc2C1	ZINC000191608345	884191421	/nfs/dbraw/zinc/19/14/21/884191421.db2.gz	CKBNSBYVDOTBSU-KRWDZBQOSA-N	1	1	380.822	3.907	10	10		GHCEMO
CCCN(Cc1ccccc1O)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1	ZINC000117058050	873853480	/nfs/dbraw/zinc/85/34/80/873853480.db2.gz	VXNNBMJPPCEVJZ-UHFFFAOYSA-N	1	1	382.508	3.686	10	10		GHCEMO
CCCN(Cc1ccccc1O)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1	ZINC000175279976	882564989	/nfs/dbraw/zinc/56/49/89/882564989.db2.gz	XINVATRBQMDNIO-UHFFFAOYSA-N	1	1	382.508	3.686	10	10		GHCEMO
C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(N2CCC(O)CC2)cc1	ZINC000195137870	888650030	/nfs/dbraw/zinc/65/00/30/888650030.db2.gz	MWPWVAXHUJLTOD-UNMCSNQZSA-N	1	1	393.575	3.820	10	10		GHCEMO
CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1	ZINC000168041024	865090034	/nfs/dbraw/zinc/09/00/34/865090034.db2.gz	PBJZQDGSUMBGKJ-YJBOKZPZSA-N	1	1	387.503	3.563	10	10		GHCEMO
Oc1ccccc1C[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1	ZINC000179554419	883008035	/nfs/dbraw/zinc/00/80/35/883008035.db2.gz	FMOAVBJCNKNNNQ-AWEZNQCLSA-N	1	1	376.382	3.833	10	10		GHCEMO