smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(N[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	ZINC000575421844	568863637	/nfs/dbraw/zinc/86/36/37/568863637.db2.gz	RZCKIAWLJOQXFS-QWRGUYRKSA-N	1	2	430.697	1.336	40	5		IDBBLO
COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216785739	569431864	/nfs/dbraw/zinc/43/18/64/569431864.db2.gz	XLPRYWINNANSCZ-UHFFFAOYSA-N	1	2	434.474	1.792	40	5		IDBBLO
C[NH+]1CCN(c2cc3[nH]c(=O)[nH]c3cc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000408527176	557412916	/nfs/dbraw/zinc/41/29/16/557412916.db2.gz	CYLIUULVBJIDQC-UHFFFAOYSA-N	1	2	432.462	1.729	40	5		IDBBLO
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2[nH+]c(N3CCOCC3)nc(N)c21	ZINC000019974088	569332331	/nfs/dbraw/zinc/33/23/31/569332331.db2.gz	ZXONRDFVCKGOPU-LBPRGKRZSA-N	1	2	427.421	1.177	40	5		IDBBLO
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCC[NH+]1CCOCC1	ZINC000408615292	557422197	/nfs/dbraw/zinc/42/21/97/557422197.db2.gz	OKXQIZIWZAAYNE-UHFFFAOYSA-N	1	2	448.501	1.239	40	5		IDBBLO
O=C(N[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	ZINC000575421843	568863629	/nfs/dbraw/zinc/86/36/29/568863629.db2.gz	RZCKIAWLJOQXFS-MNOVXSKESA-N	1	2	430.697	1.336	40	5		IDBBLO
CNS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1N1CC[NH+](C)CC1	ZINC000216791875	569431902	/nfs/dbraw/zinc/43/19/02/569431902.db2.gz	JFZSYNKBBITFRT-UHFFFAOYSA-N	1	2	433.490	1.507	40	5		IDBBLO
Cc1ccc(NC(=O)C(=O)NCCN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000019848237	563023159	/nfs/dbraw/zinc/02/31/59/563023159.db2.gz	BNUBCINIAHNHEI-UHFFFAOYSA-N	1	2	425.489	1.776	40	5		IDBBLO
CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)N1CC[NH+](C)CC1	ZINC000143118720	569255043	/nfs/dbraw/zinc/25/50/43/569255043.db2.gz	WIUIAVZWJWZFIA-UHFFFAOYSA-N	1	2	447.521	1.002	40	5		IDBBLO
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)cc1[N+](=O)[O-]	ZINC000019974077	569332219	/nfs/dbraw/zinc/33/22/19/569332219.db2.gz	VSKXHWAEAHSRKM-GFCCVEGCSA-N	1	2	427.421	1.177	40	5		IDBBLO
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000104729532	557459370	/nfs/dbraw/zinc/45/93/70/557459370.db2.gz	MXKLWYNIUDAOPX-UHFFFAOYSA-N	1	2	434.474	1.792	40	5		IDBBLO
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1	ZINC000216884859	569435016	/nfs/dbraw/zinc/43/50/16/569435016.db2.gz	KRGROXPNKNVHJK-UHFFFAOYSA-N	1	2	448.501	1.933	40	5		IDBBLO
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCC[NH+]1CCOCC1	ZINC000408605494	557421325	/nfs/dbraw/zinc/42/13/25/557421325.db2.gz	JDDDABFLKTVZMB-UHFFFAOYSA-N	1	2	448.501	1.239	40	5		IDBBLO
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	ZINC000575421840	568863619	/nfs/dbraw/zinc/86/36/19/568863619.db2.gz	RZCKIAWLJOQXFS-GHMZBOCLSA-N	1	2	430.697	1.336	40	5		IDBBLO
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2[nH+]c(N3CCOCC3)nc(N)c21	ZINC000019819953	569329902	/nfs/dbraw/zinc/32/99/02/569329902.db2.gz	KGTLDBKOHIZVKQ-LBPRGKRZSA-N	1	2	427.421	1.177	40	5		IDBBLO
CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1	ZINC000044947551	557541452	/nfs/dbraw/zinc/54/14/52/557541452.db2.gz	YGCNBRWKIBWGPM-UHFFFAOYSA-N	1	2	429.458	1.863	40	5		IDBBLO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(N)=O	ZINC000009312176	569295485	/nfs/dbraw/zinc/29/54/85/569295485.db2.gz	BFKGBFCJAUDESU-MKXGPGLRSA-N	1	2	434.408	1.604	40	5		IDBBLO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(N)=O	ZINC000009312176	569295486	/nfs/dbraw/zinc/29/54/86/569295486.db2.gz	BFKGBFCJAUDESU-MKXGPGLRSA-N	1	2	434.408	1.604	40	5		IDBBLO
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2[nH+]c(N3CCOCC3)nc(N)c21	ZINC000019974087	569332318	/nfs/dbraw/zinc/33/23/18/569332318.db2.gz	ZXONRDFVCKGOPU-GFCCVEGCSA-N	1	2	427.421	1.177	40	5		IDBBLO
CCNS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1N1CC[NH+](C)CC1	ZINC000216794998	557155256	/nfs/dbraw/zinc/15/52/56/557155256.db2.gz	PLUWUMCQFKKLFD-UHFFFAOYSA-N	1	2	447.517	1.897	40	5		IDBBLO
C[NH+]1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1	ZINC000014867822	557514277	/nfs/dbraw/zinc/51/42/77/557514277.db2.gz	LDTZGRUNQZRILA-UHFFFAOYSA-N	1	2	440.503	1.332	40	5		IDBBLO
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)cc1[N+](=O)[O-]	ZINC000019974078	569332267	/nfs/dbraw/zinc/33/22/67/569332267.db2.gz	VSKXHWAEAHSRKM-LBPRGKRZSA-N	1	2	427.421	1.177	40	5		IDBBLO
O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	ZINC000575421845	568863564	/nfs/dbraw/zinc/86/35/64/568863564.db2.gz	RZCKIAWLJOQXFS-WDEREUQCSA-N	1	2	430.697	1.336	40	5		IDBBLO
COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000216788748	569431929	/nfs/dbraw/zinc/43/19/29/569431929.db2.gz	IWVQWYGEQXCSHH-UHFFFAOYSA-N	1	2	434.474	1.792	40	5		IDBBLO
Cc1nn(CC(=O)Nc2nc3ccccc3n2CC[NH+]2CCOCC2)c(C)c1[N+](=O)[O-]	ZINC000017095376	569585012	/nfs/dbraw/zinc/58/50/12/569585012.db2.gz	ZAFZFZVSFUXVTI-UHFFFAOYSA-N	1	2	427.465	1.729	40	5		IDBBLO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(N)=O)[N@H+]1C=Cc3ccccc3[C@@H]21	ZINC000009312174	569295416	/nfs/dbraw/zinc/29/54/16/569295416.db2.gz	BFKGBFCJAUDESU-YRXWBPOGSA-N	1	2	434.408	1.604	40	5		IDBBLO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(N)=O)[N@@H+]1C=Cc3ccccc3[C@@H]21	ZINC000009312174	569295418	/nfs/dbraw/zinc/29/54/18/569295418.db2.gz	BFKGBFCJAUDESU-YRXWBPOGSA-N	1	2	434.408	1.604	40	5		IDBBLO
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2[nH+]c(N3CCOCC3)nc(N)c21	ZINC000019819951	569329937	/nfs/dbraw/zinc/32/99/37/569329937.db2.gz	KGTLDBKOHIZVKQ-GFCCVEGCSA-N	1	2	427.421	1.177	40	5		IDBBLO
CS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000020039310	569332721	/nfs/dbraw/zinc/33/27/21/569332721.db2.gz	GNNWMHPYWMMPPR-UHFFFAOYSA-N	1	2	429.458	1.863	40	5		IDBBLO