smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@@H](C(=O)N1CCCCC1)[C@@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)N[O-]	ZINC000026398082	581095325	/nfs/dbraw/zinc/09/53/25/581095325.db2.gz	XNKSQYFVFJZMOA-HUUCEWRRSA-N	-1	3	410.515	1.455	1	30		HDEFHM
COc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(C)=O)C[C@H]2C(=O)N[O-])cc1	ZINC000013818585	581097618	/nfs/dbraw/zinc/09/76/18/581097618.db2.gz	OOCSYABQMHKMLM-SFHVURJKSA-N	-1	3	419.459	1.127	1	30		HDEFHM
COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@H]2C(=O)N[O-])cc1	ZINC000253639500	581097691	/nfs/dbraw/zinc/09/76/91/581097691.db2.gz	GOLRDGXHDIYHCN-SFHVURJKSA-N	-1	3	405.476	1.076	1	30		HDEFHM
CON[C@@H]1C[C@H](C(=O)N[O-])N(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1	ZINC000013803462	581098415	/nfs/dbraw/zinc/09/84/15/581098415.db2.gz	JBWUJRFOXXRXHG-CXAGYDPISA-N	-1	3	407.448	1.267	1	30		HDEFHM
CO/N=C1/C[C@H](C(=O)N[O-])N(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)C1	ZINC000003923933	581098429	/nfs/dbraw/zinc/09/84/29/581098429.db2.gz	YVUNEHSVUBACDW-SDLDRHLBSA-N	-1	3	406.420	1.145	1	30		HDEFHM
Cc1ccc(Oc2ccc(S(=O)(=O)[C@@H]3CCOC[C@]3(O)C(=O)N[O-])cc2)cc1	ZINC000028376818	581092895	/nfs/dbraw/zinc/09/28/95/581092895.db2.gz	OUPAYUKAUNZSER-IEBWSBKVSA-N	-1	3	407.444	1.586	1	30		HDEFHM
N#Cc1cnc([N-]c2cc(N3CCN(CCN4CCOCC4)CC3)ncn2)s1	ZINC000028569958	581096691	/nfs/dbraw/zinc/09/66/91/581096691.db2.gz	YOARXMDDBVYHOA-UHFFFAOYSA-N	-1	3	400.512	1.003	1	30		HDEFHM
N#Cc1cnc([N-]c2cc(N3CCN(CCCN4CCOCC4)CC3)ncn2)s1	ZINC000028570553	581096594	/nfs/dbraw/zinc/09/65/94/581096594.db2.gz	GOEFOVAJSQGKCV-UHFFFAOYSA-N	-1	3	414.539	1.393	1	30		HDEFHM
CON[C@H]1C[C@H](C(=O)N[O-])N(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1	ZINC000013803464	581098473	/nfs/dbraw/zinc/09/84/73/581098473.db2.gz	JBWUJRFOXXRXHG-SUMWQHHRSA-N	-1	3	407.448	1.267	1	30		HDEFHM
Cc1nc2ccccn2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)N[O-])cc1	ZINC000029127202	581091618	/nfs/dbraw/zinc/09/16/18/581091618.db2.gz	YXKKEOGFLPKGED-ZWKOTPCHSA-N	-1	3	408.458	1.874	1	30		HDEFHM
COc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(C)=O)C[C@@H]2C(=O)N[O-])cc1	ZINC000013818583	581097719	/nfs/dbraw/zinc/09/77/19/581097719.db2.gz	OOCSYABQMHKMLM-GOSISDBHSA-N	-1	3	419.459	1.127	1	30		HDEFHM
COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000013804586	581097652	/nfs/dbraw/zinc/09/76/52/581097652.db2.gz	GOLRDGXHDIYHCN-GOSISDBHSA-N	-1	3	405.476	1.076	1	30		HDEFHM
C[C@H](C(=O)N[O-])N1CCNc2cc(Oc3ccc([N+](=O)[O-])cc3)ccc2S1(=O)=O	ZINC000013518201	581094758	/nfs/dbraw/zinc/09/47/58/581094758.db2.gz	KQVRGIRNMDCIEB-LLVKDONJSA-N	-1	3	422.419	1.697	1	30		HDEFHM
COc1ccc(S(=O)(=O)N2CCOCCSC(C)(C)[C@@H]2C(=O)N[O-])cc1	ZINC000013801789	581097706	/nfs/dbraw/zinc/09/77/06/581097706.db2.gz	IBRCQOLHLBIVAH-AWEZNQCLSA-N	-1	3	404.510	1.102	1	30		HDEFHM
O=C(N[O-])C1(NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)CCOCC1	ZINC000001483841	581099779	/nfs/dbraw/zinc/09/97/79/581099779.db2.gz	QWBFNTUMBVGNBO-UHFFFAOYSA-N	-1	3	406.460	1.599	1	30		HDEFHM
COc1ccc(S(=O)(=O)N2CN(C3CCCCC3)C(=O)C[C@@H]2C(=O)N[O-])cc1	ZINC000025968171	581097704	/nfs/dbraw/zinc/09/77/04/581097704.db2.gz	RCXJWFMVFQBLSC-MRXNPFEDSA-N	-1	3	411.480	1.082	1	30		HDEFHM