smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1	ZINC000046836589	431901408	/nfs/dbraw/zinc/90/14/08/431901408.db2.gz	PNQYTEZUTQFUQP-UHFFFAOYSA-N	2	0	305.425	3.444	50	30		DGEARP
C(#Cc1cccc(C#CC[NH+]2CCCCC2)c1)C[NH+]1CCCCC1	ZINC000000978050	431211160	/nfs/dbraw/zinc/21/11/60/431211160.db2.gz	RVBHDEBWYXHBDR-UHFFFAOYSA-N	2	0	320.480	3.361	50	30		DGEARP
CN(C)c1ccc(/C=[NH+]/CC/[NH+]=C/c2ccc(N(C)C)cc2)cc1	ZINC000017889172	182087752	/nfs/dbraw/zinc/08/77/52/182087752.db2.gz	AOXCQFSEIDWMSU-YHARCJFQSA-N	2	0	322.456	3.357	50	30		DGEARP
CN(C)c1ccc(/C=[NH+]\CC/[NH+]=C\c2ccc(N(C)C)cc2)cc1	ZINC000017889169	522134626	/nfs/dbraw/zinc/13/46/26/522134626.db2.gz	AOXCQFSEIDWMSU-BMJUYKDLSA-N	2	0	322.456	3.357	50	30		DGEARP
N#Cc1ccc(C[NH2+]CCC2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000095999404	431933532	/nfs/dbraw/zinc/93/35/32/431933532.db2.gz	NNKVFUKQGMKVIZ-UHFFFAOYSA-N	2	0	320.440	3.350	50	30		DGEARP
N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1	ZINC000096403992	431945350	/nfs/dbraw/zinc/94/53/50/431945350.db2.gz	UMIVIWGDEFDJAB-NRFANRHFSA-N	2	0	319.452	3.212	50	30		DGEARP
N#Cc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1	ZINC000011095024	431472702	/nfs/dbraw/zinc/47/27/02/431472702.db2.gz	RGLNNRKOFZPFIY-UHFFFAOYSA-N	2	0	305.425	3.444	50	30		DGEARP
N#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1	ZINC000096403991	431945509	/nfs/dbraw/zinc/94/55/09/431945509.db2.gz	UMIVIWGDEFDJAB-OAQYLSRUSA-N	2	0	319.452	3.212	50	30		DGEARP
CCN(CC)c1ccc(/C=[NH+]/[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(O)c1	ZINC000129363227	528293241	/nfs/dbraw/zinc/29/32/41/528293241.db2.gz	UTJCCVZLJRITEY-TZPTYAJZSA-N	2	0	317.477	3.386	50	30		DGEARP
CCN(CC)c1ccc(/C=[NH+]/[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c(O)c1	ZINC000246293217	432116431	/nfs/dbraw/zinc/11/64/31/432116431.db2.gz	UTJCCVZLJRITEY-OYABHWKLSA-N	2	0	317.477	3.386	50	30		DGEARP
C=C(C)[C@@H]1CC=C(CN(CCC[NH+](C)C)CCC[NH+](C)C)CC1	ZINC000004021937	181063154	/nfs/dbraw/zinc/06/31/54/181063154.db2.gz	LQXJSGDFIIIKKO-HXUWFJFHSA-N	2	0	321.553	3.494	50	30		DGEARP
CCCCCCC[C@H]1NC(=[NH2+])NC(=[NH2+])N1c1cccc(C)c1	ZINC000097973066	400287606	/nfs/dbraw/zinc/28/76/06/400287606.db2.gz	WVZXAZHRFNXYRX-HNNXBMFYSA-N	2	0	301.438	3.131	50	30		DGEARP
N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1	ZINC000053136773	431960554	/nfs/dbraw/zinc/96/05/54/431960554.db2.gz	QVSNQIBAIOBTKH-UHFFFAOYSA-N	2	0	305.425	3.444	50	30		DGEARP
C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(OC)cc2OC)CC1	ZINC000095967765	431928744	/nfs/dbraw/zinc/92/87/44/431928744.db2.gz	BUUGWSYYZCXXRA-OAHLLOKOSA-N	2	0	318.461	3.395	50	30		DGEARP
C=C(C)C[NH+]1CCN(Cc2cccc([C@@H](C)[NH+](C)C)c2)CC1	ZINC001704351315	1202522436	/nfs/dbraw/zinc/52/24/36/1202522436.db2.gz	GYXVOGOAFCVGHZ-QGZVFWFLSA-N	2	0	301.478	3.003	50	30		DGEARP
Cc1c[nH+]c(C)n1C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1	ZINC000575547768	1092047422	/nfs/dbraw/zinc/04/74/22/1092047422.db2.gz	WHHHSCVGXHRODO-IBGZPJMESA-N	2	0	308.429	3.284	50	30		DGEARP
CCCCCCC[C@@H]1NC(=[NH2+])NC(=[NH2+])N1c1cccc(C)c1	ZINC000097973065	400288171	/nfs/dbraw/zinc/28/81/71/400288171.db2.gz	WVZXAZHRFNXYRX-OAHLLOKOSA-N	2	0	301.438	3.131	50	30		DGEARP
CCn1cc(C[NH+]2CCC([C@H](C)[NH+]3CCCC3)CC2)cc1C#N	ZINC000072422596	191158199	/nfs/dbraw/zinc/15/81/99/191158199.db2.gz	WGWDUBMEXUEPJU-INIZCTEOSA-N	2	0	314.477	3.076	50	30		DGEARP
C=C(C)[C@H]1CC=C(CN(CCC[NH+](C)C)CCC[NH+](C)C)CC1	ZINC000002498324	431253617	/nfs/dbraw/zinc/25/36/17/431253617.db2.gz	LQXJSGDFIIIKKO-FQEVSTJZSA-N	2	0	321.553	3.494	50	30		DGEARP
C=C(C)C[NH+]1CCN(Cc2cccc([C@H](C)[NH+](C)C)c2)CC1	ZINC001704351313	1202522663	/nfs/dbraw/zinc/52/26/63/1202522663.db2.gz	GYXVOGOAFCVGHZ-KRWDZBQOSA-N	2	0	301.478	3.003	50	30		DGEARP
Cc1c[nH+]c(C)n1C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1	ZINC000575547769	1092046862	/nfs/dbraw/zinc/04/68/62/1092046862.db2.gz	WHHHSCVGXHRODO-LJQANCHMSA-N	2	0	308.429	3.284	50	30		DGEARP
C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(OC)cc2OC)CC1	ZINC000095967764	431929433	/nfs/dbraw/zinc/92/94/33/431929433.db2.gz	BUUGWSYYZCXXRA-HNNXBMFYSA-N	2	0	318.461	3.395	50	30		DGEARP
CCN(CC)c1ccc(/C=[NH+]\[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(O)c1	ZINC000255273920	659021961	/nfs/dbraw/zinc/02/19/61/659021961.db2.gz	UTJCCVZLJRITEY-LEJVGTRYSA-N	2	0	317.477	3.386	50	30		DGEARP
Cc1c[nH+]c(C)n1CC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000575549885	1092047829	/nfs/dbraw/zinc/04/78/29/1092047829.db2.gz	PLNJZHATJHUGGU-UHFFFAOYSA-N	2	0	308.429	3.284	50	30		DGEARP
CCn1cc(C[NH+]2CCC([C@@H](C)[NH+]3CCCC3)CC2)cc1C#N	ZINC000072422595	191158090	/nfs/dbraw/zinc/15/80/90/191158090.db2.gz	WGWDUBMEXUEPJU-MRXNPFEDSA-N	2	0	314.477	3.076	50	30		DGEARP
CC[NH+]1CCC([NH2+]Cc2cn(CCC#N)c3ccccc23)CC1	ZINC000009834801	431447820	/nfs/dbraw/zinc/44/78/20/431447820.db2.gz	RGYQQRVYSOYWOB-UHFFFAOYSA-N	2	0	310.445	3.129	50	30		DGEARP
C[NH+](C)C[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4C#N)o3)C[C@H]21	ZINC000102664581	431996254	/nfs/dbraw/zinc/99/62/54/431996254.db2.gz	DLNZJIJRDMVBDZ-LDLYASANSA-N	2	0	321.424	3.058	50	30		DGEARP
C(#Cc1ccc(C#CC[NH+]2CCCCC2)cc1)C[NH+]1CCCCC1	ZINC000001005084	431209100	/nfs/dbraw/zinc/20/91/00/431209100.db2.gz	GLSXZQDZYLDRDI-UHFFFAOYSA-N	2	0	320.480	3.361	50	30		DGEARP
CN(C)c1ccc(/C=[NH+]/CC/[NH+]=C\c2ccc(N(C)C)cc2)cc1	ZINC000097844341	431974954	/nfs/dbraw/zinc/97/49/54/431974954.db2.gz	AOXCQFSEIDWMSU-KBNZVFGVSA-N	2	0	322.456	3.357	50	30		DGEARP
N#Cc1cccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1	ZINC000096403993	431945800	/nfs/dbraw/zinc/94/58/00/431945800.db2.gz	CKADLNIWGLDUCP-OAQYLSRUSA-N	2	0	319.452	3.212	50	30		DGEARP
N#Cc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCCC2)c1	ZINC000048367112	183651885	/nfs/dbraw/zinc/65/18/85/183651885.db2.gz	QNIPUZDRLDDMRU-UHFFFAOYSA-N	2	0	305.425	3.444	50	30		DGEARP
C=CCOc1c(Cl)cc(C[NH2+]CC2CC[NH2+]CC2)cc1OC	ZINC000010434741	431460794	/nfs/dbraw/zinc/46/07/94/431460794.db2.gz	UXLYHPURCHIVLA-UHFFFAOYSA-N	2	0	324.852	3.003	50	30		DGEARP
CCn1cc(C[NH+]2CCC(C[NH+]3CCCCC3)CC2)cc1C#N	ZINC000077299281	431582065	/nfs/dbraw/zinc/58/20/65/431582065.db2.gz	REFPYAIQJSLDDF-UHFFFAOYSA-N	2	0	314.477	3.078	50	30		DGEARP
N#Cc1cccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1	ZINC000096403994	431945401	/nfs/dbraw/zinc/94/54/01/431945401.db2.gz	CKADLNIWGLDUCP-NRFANRHFSA-N	2	0	319.452	3.212	50	30		DGEARP
CCN(CC)c1ccc(/C=[NH+]\[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c(O)c1	ZINC000255273919	659021889	/nfs/dbraw/zinc/02/18/89/659021889.db2.gz	UTJCCVZLJRITEY-CSXOVNKWSA-N	2	0	317.477	3.386	50	30		DGEARP