smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccn2cc(CNC(=O)CC3=CSC4=[NH+]CCCN34)[nH+]c12	ZINC000217693785	241266991	/nfs/dbraw/zinc/26/69/91/241266991.db2.gz	CMQDBJNGIVEMCA-UHFFFAOYSA-N	2	2	341.440	2.299	50	70		EEIALP
CCCCc1[nH]c(CN2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)c[nH+]1	ZINC000217175507	535100702	/nfs/dbraw/zinc/10/07/02/535100702.db2.gz	GDLJTPPCQJAHJI-LJQANCHMSA-N	2	2	342.487	2.431	50	70		EEIALP
CCCCc1[nH]c(CN2CC[N@@H+](Cc3ccccc3)C[C@@H](O)C2)c[nH+]1	ZINC000217175507	535100708	/nfs/dbraw/zinc/10/07/08/535100708.db2.gz	GDLJTPPCQJAHJI-LJQANCHMSA-N	2	2	342.487	2.431	50	70		EEIALP
CCCCc1[nH]cc(CN2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)[nH+]1	ZINC000217175507	535100712	/nfs/dbraw/zinc/10/07/12/535100712.db2.gz	GDLJTPPCQJAHJI-LJQANCHMSA-N	2	2	342.487	2.431	50	70		EEIALP
CCCCc1[nH]cc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H](O)C2)[nH+]1	ZINC000217175507	535100715	/nfs/dbraw/zinc/10/07/15/535100715.db2.gz	GDLJTPPCQJAHJI-LJQANCHMSA-N	2	2	342.487	2.431	50	70		EEIALP
C[NH+]1CCC(C(=O)N(CCCn2cc[nH+]c2)Cc2ccncc2)CC1	ZINC000217149518	241238334	/nfs/dbraw/zinc/23/83/34/241238334.db2.gz	HGRIPDOAQYJMNQ-UHFFFAOYSA-N	2	2	341.459	2.039	50	70		EEIALP
COc1ccc(CCCNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)cc1	ZINC000218270460	241311208	/nfs/dbraw/zinc/31/12/08/241311208.db2.gz	XWNJHQCCAFICJP-UHFFFAOYSA-N	2	2	327.432	2.317	50	70		EEIALP
CC(=O)N1CC[NH+](Cc2ccc(OCCCn3cc[nH+]c3)cc2)CC1	ZINC000217864751	241279885	/nfs/dbraw/zinc/27/98/85/241279885.db2.gz	QTXVOGWXSYYYGR-UHFFFAOYSA-N	2	2	342.443	2.016	50	70		EEIALP
CN(Cc1nc2c(s1)CCCC2)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1	ZINC000218310294	241313490	/nfs/dbraw/zinc/31/34/90/241313490.db2.gz	UDFASFZFDAWBJN-UHFFFAOYSA-N	2	2	344.488	2.235	50	70		EEIALP
Nc1nc(NCc2cnn(-c3ccccc3)c2)cc(C2CC([NH3+])C2)[nH+]1	ZINC000218113934	241297304	/nfs/dbraw/zinc/29/73/04/241297304.db2.gz	RNISKLAZCLIJGO-UHFFFAOYSA-N	2	2	335.415	2.061	50	70		EEIALP
C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(OCCn3cc[nH+]c3)cc1)C2	ZINC000217461814	241250671	/nfs/dbraw/zinc/25/06/71/241250671.db2.gz	YPHFSBMCVOHOBM-RBUKOAKNSA-N	2	2	340.471	2.488	50	70		EEIALP
C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(OCCn3cc[nH+]c3)cc1)C2	ZINC000217461814	241250676	/nfs/dbraw/zinc/25/06/76/241250676.db2.gz	YPHFSBMCVOHOBM-RBUKOAKNSA-N	2	2	340.471	2.488	50	70		EEIALP
CCOc1ccc(CCNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)cc1	ZINC000218564704	241330631	/nfs/dbraw/zinc/33/06/31/241330631.db2.gz	VZCYGKAFQINAIK-UHFFFAOYSA-N	2	2	327.432	2.317	50	70		EEIALP
C[N@@H+]1CCN(CC(C)(C)C[NH+]2CCOCC2)C[C@@H]1c1ccccc1	ZINC000217201988	241240463	/nfs/dbraw/zinc/24/04/63/241240463.db2.gz	BWJDYMSFGZOGQC-LJQANCHMSA-N	2	2	331.504	2.334	50	70		EEIALP
C[N@H+]1CCN(CC(C)(C)C[NH+]2CCOCC2)C[C@@H]1c1ccccc1	ZINC000217201988	241240467	/nfs/dbraw/zinc/24/04/67/241240467.db2.gz	BWJDYMSFGZOGQC-LJQANCHMSA-N	2	2	331.504	2.334	50	70		EEIALP
CCc1ccc(C[N@@H+]2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)o1	ZINC000218192998	241303332	/nfs/dbraw/zinc/30/33/32/241303332.db2.gz	ADZWEPIDZFJKGP-GOSISDBHSA-N	2	2	332.448	2.039	50	70		EEIALP
CCc1ccc(C[N@H+]2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)o1	ZINC000218192998	241303337	/nfs/dbraw/zinc/30/33/37/241303337.db2.gz	ADZWEPIDZFJKGP-GOSISDBHSA-N	2	2	332.448	2.039	50	70		EEIALP
Cc1ccc(OCCN(C)c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)cc1	ZINC000218541552	241331535	/nfs/dbraw/zinc/33/15/35/241331535.db2.gz	LYKOMUDWEGXGQK-UHFFFAOYSA-N	2	2	327.432	2.087	50	70		EEIALP
O[C@H]1CN(CCc2[nH]c3ccc(F)cc3[nH+]2)CC[N@@H+](C2CCCC2)C1	ZINC000217195945	241242315	/nfs/dbraw/zinc/24/23/15/241242315.db2.gz	MELPGZPGCKVPMI-INIZCTEOSA-N	2	2	346.450	2.166	50	70		EEIALP
O[C@H]1CN(CCc2[nH]c3ccc(F)cc3[nH+]2)CC[N@H+](C2CCCC2)C1	ZINC000217195945	241242323	/nfs/dbraw/zinc/24/23/23/241242323.db2.gz	MELPGZPGCKVPMI-INIZCTEOSA-N	2	2	346.450	2.166	50	70		EEIALP
C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cnc(N3CCCCC3)nc1)C2	ZINC000216917006	241223465	/nfs/dbraw/zinc/22/34/65/241223465.db2.gz	LAVAGGJBWBGYFY-PIIMJCKOSA-N	2	2	329.492	2.239	50	70		EEIALP
C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cnc(N3CCCCC3)nc1)C2	ZINC000216917006	241223469	/nfs/dbraw/zinc/22/34/69/241223469.db2.gz	LAVAGGJBWBGYFY-PIIMJCKOSA-N	2	2	329.492	2.239	50	70		EEIALP
CCc1ccc(C[N@@H+]2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)o1	ZINC000218192922	241304426	/nfs/dbraw/zinc/30/44/26/241304426.db2.gz	ADZWEPIDZFJKGP-SFHVURJKSA-N	2	2	332.448	2.039	50	70		EEIALP
CCc1ccc(C[N@H+]2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)o1	ZINC000218192922	241304431	/nfs/dbraw/zinc/30/44/31/241304431.db2.gz	ADZWEPIDZFJKGP-SFHVURJKSA-N	2	2	332.448	2.039	50	70		EEIALP