smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C(=O)c1cccc(N[NH+]=C2C=CC(N)=C3C=CC(=O)C=C23)c1	ZINC000018099651	563848783	/nfs/dbraw/zinc/84/87/83/563848783.db2.gz	NNPFLTYTUCKUNQ-QURGRASLSA-N	1	2	334.379	4.245	40	10		EICBLO
Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2	ZINC000079192229	563922889	/nfs/dbraw/zinc/92/28/89/563922889.db2.gz	FBWAJDPTFBTVBL-QKKBWIMNSA-N	1	2	341.451	4.208	40	10		EICBLO
Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2	ZINC000079192229	563922890	/nfs/dbraw/zinc/92/28/90/563922890.db2.gz	FBWAJDPTFBTVBL-QKKBWIMNSA-N	1	2	341.451	4.208	40	10		EICBLO
CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1[nH+]cccc1C	ZINC000100423305	563982606	/nfs/dbraw/zinc/98/26/06/563982606.db2.gz	BNQAHUKSWNVJSW-SDXDJHTJSA-N	1	2	334.423	4.279	40	10		EICBLO
CN(C)C(=O)c1cccc(N[NH+]=C2C=CC(N)=C3C=CC(=O)C=C23)c1	ZINC000104388907	219383209	/nfs/dbraw/zinc/38/32/09/219383209.db2.gz	NNPFLTYTUCKUNQ-DQRAZIAOSA-N	1	2	334.379	4.245	40	10		EICBLO
Oc1ccccc1C(c1ccccc1)(c1ccccc1)n1cc[nH+]c1	ZINC000014982871	563770512	/nfs/dbraw/zinc/77/05/12/563770512.db2.gz	HAALJZREONHION-UHFFFAOYSA-N	1	2	326.399	4.429	40	10		EICBLO
CN(C)c1ccc(C[NH2+][C@H](C(=O)c2ccccc2)c2ccccc2)cc1	ZINC000031961978	563913306	/nfs/dbraw/zinc/91/33/06/563913306.db2.gz	ZNVZKCJRGBXGHI-QFIPXVFZSA-N	1	2	344.458	4.466	40	10		EICBLO
CCOC(=O)CNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21	ZINC000005374331	563529297	/nfs/dbraw/zinc/52/92/97/563529297.db2.gz	ZFNPLWAORZCZJG-UHFFFAOYSA-N	1	2	344.798	4.025	40	10		EICBLO
CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1[nH+]cccc1C	ZINC000017070486	563832697	/nfs/dbraw/zinc/83/26/97/563832697.db2.gz	BNQAHUKSWNVJSW-OBGWFSINSA-N	1	2	334.423	4.279	40	10		EICBLO
CC[N@H+](CCCNC(=S)Nc1ccccc1)c1ccc(C)cc1	ZINC000225732432	242009433	/nfs/dbraw/zinc/00/94/33/242009433.db2.gz	DEZAYEBKZBOVPQ-UHFFFAOYSA-N	1	2	327.497	4.198	40	10		EICBLO
CC[N@@H+](CCCNC(=S)Nc1ccccc1)c1ccc(C)cc1	ZINC000225732432	242009436	/nfs/dbraw/zinc/00/94/36/242009436.db2.gz	DEZAYEBKZBOVPQ-UHFFFAOYSA-N	1	2	327.497	4.198	40	10		EICBLO
CN(C)c1ccc(C[NH2+][C@@H](C(=O)c2ccccc2)c2ccccc2)cc1	ZINC000031961974	563913296	/nfs/dbraw/zinc/91/32/96/563913296.db2.gz	ZNVZKCJRGBXGHI-JOCHJYFZSA-N	1	2	344.458	4.466	40	10		EICBLO
CCN(CC)c1ccc(/C=C2\SC(N3CCCCC3)=[NH+]C2=N)cc1	ZINC000016678473	563820665	/nfs/dbraw/zinc/82/06/65/563820665.db2.gz	PSMWISBSXBAERL-WLWULJCXSA-N	1	2	342.512	4.440	40	10		EICBLO
Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2	ZINC000085874771	563974026	/nfs/dbraw/zinc/97/40/26/563974026.db2.gz	FBWAJDPTFBTVBL-SPLOXXLWSA-N	1	2	341.451	4.208	40	10		EICBLO
Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2	ZINC000085874771	563974027	/nfs/dbraw/zinc/97/40/27/563974027.db2.gz	FBWAJDPTFBTVBL-SPLOXXLWSA-N	1	2	341.451	4.208	40	10		EICBLO
CCN(CC)c1ccc(Cc2ccc([NH+](CC)CC)cc2N)c(N)c1	ZINC000001689838	563403919	/nfs/dbraw/zinc/40/39/19/563403919.db2.gz	MXYZBFRQBCDKCK-UHFFFAOYSA-N	1	2	340.515	4.134	40	10		EICBLO
C[NH+]1CCN(Cc2cc(C(C)(C)C)cc(-c3ccccc3)c2O)CC1	ZINC000019366600	212022781	/nfs/dbraw/zinc/02/27/81/212022781.db2.gz	FYSNJHLSYKTLAB-UHFFFAOYSA-N	1	2	338.495	4.104	40	10		EICBLO
CC(C)(C)Nc1nc(Nc2cc(Cl)ccc2O)cc(C2CC2)[nH+]1	ZINC000328989113	564071282	/nfs/dbraw/zinc/07/12/82/564071282.db2.gz	IIYAHWZSZLEZOW-UHFFFAOYSA-N	1	2	332.835	4.089	40	10		EICBLO
CC[N@H+](CCCNC(=S)Nc1cccc(F)c1)c1ccc(C)cc1	ZINC000225733648	242010705	/nfs/dbraw/zinc/01/07/05/242010705.db2.gz	KFJSLGQEBUKUAT-UHFFFAOYSA-N	1	2	345.487	4.337	40	10		EICBLO
CC[N@@H+](CCCNC(=S)Nc1cccc(F)c1)c1ccc(C)cc1	ZINC000225733648	242010708	/nfs/dbraw/zinc/01/07/08/242010708.db2.gz	KFJSLGQEBUKUAT-UHFFFAOYSA-N	1	2	345.487	4.337	40	10		EICBLO
CC[N@H+](CCCNC(=S)Nc1ccc(F)cc1)c1ccc(C)cc1	ZINC000225733376	242010394	/nfs/dbraw/zinc/01/03/94/242010394.db2.gz	QXSZBSKKAZRBOQ-UHFFFAOYSA-N	1	2	345.487	4.337	40	10		EICBLO
CC[N@@H+](CCCNC(=S)Nc1ccc(F)cc1)c1ccc(C)cc1	ZINC000225733376	242010399	/nfs/dbraw/zinc/01/03/99/242010399.db2.gz	QXSZBSKKAZRBOQ-UHFFFAOYSA-N	1	2	345.487	4.337	40	10		EICBLO
CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1cccc(C)[nH+]1	ZINC000103917449	564013771	/nfs/dbraw/zinc/01/37/71/564013771.db2.gz	ZYNOKPBRPPKPIV-CYVLTUHYSA-N	1	2	334.423	4.279	40	10		EICBLO
CC[N@H+](CCCNC(=S)Nc1ccccc1F)c1ccc(C)cc1	ZINC000225733335	242009974	/nfs/dbraw/zinc/00/99/74/242009974.db2.gz	YQKWTUWJROMHRD-UHFFFAOYSA-N	1	2	345.487	4.337	40	10		EICBLO
CC[N@@H+](CCCNC(=S)Nc1ccccc1F)c1ccc(C)cc1	ZINC000225733335	242009980	/nfs/dbraw/zinc/00/99/80/242009980.db2.gz	YQKWTUWJROMHRD-UHFFFAOYSA-N	1	2	345.487	4.337	40	10		EICBLO
CCN(CC)c1ccc(/C=C2\SC(N3CCCC3)=[NH+]C2=N)cc1	ZINC000016678472	563820571	/nfs/dbraw/zinc/82/05/71/563820571.db2.gz	BKXLGROEEFYKGO-MIDVZBRJSA-N	1	2	328.485	4.050	40	10		EICBLO