smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cc(F)cc(CN2CCn3c(Cc4cccc(Br)c4)nnc3C2)c1[O-]	ZINC001307723412	1070147608	/nfs/dbraw/zinc/14/76/08/1070147608.db2.gz	DVXBQMBFIMQAIQ-UHFFFAOYSA-N	-1	3	459.319	3.695	20	10		JHCDHM
O=S(=O)(c1ccccc1CNCc1cc(Br)cc(F)c1[O-])N1CCCCC1	ZINC001308258572	1070346843	/nfs/dbraw/zinc/34/68/43/1070346843.db2.gz	KVFAAXKWOHESJV-UHFFFAOYSA-N	-1	3	457.365	3.758	20	10		JHCDHM
COC(=O)CN(Cc1ccc(I)s1)Cc1cc(Cl)ccc1[O-]	ZINC001308627550	1070405668	/nfs/dbraw/zinc/40/56/68/1070405668.db2.gz	JNWVJSBHWWZUSA-UHFFFAOYSA-N	-1	3	451.713	3.887	20	10		JHCDHM
COc1ccc(N2CCC([N-]S(=O)(=O)c3cc(C)c(Br)cc3F)CC2)cc1	ZINC001309137925	1070561528	/nfs/dbraw/zinc/56/15/28/1070561528.db2.gz	IFOXWRBJXJORLC-UHFFFAOYSA-N	-1	3	457.365	3.853	20	10		JHCDHM
Cc1cc(S(=O)(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(C)cc1[N+](=O)[O-]	ZINC001309219958	1070618917	/nfs/dbraw/zinc/61/89/17/1070618917.db2.gz	YSCQPXWIDADXGP-QGZVFWFLSA-N	-1	3	453.948	3.514	20	10		JHCDHM
CC(C)(C)OC(=O)N1Cc2ccccc2OC2(CCN(C(=O)c3cccc(O)c3[O-])CC2)C1	ZINC001306140466	1068541596	/nfs/dbraw/zinc/54/15/96/1068541596.db2.gz	OCBITMTUQCRGNU-UHFFFAOYSA-N	-1	3	454.523	3.902	20	10		JHCDHM
Cc1cc([O-])c(CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c(Cl)c1	ZINC001308654178	1070411828	/nfs/dbraw/zinc/41/18/28/1070411828.db2.gz	YWIMGMDAICMGBK-UHFFFAOYSA-N	-1	3	459.793	3.623	20	10		JHCDHM
CN(C)c1ccc(CNC(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cc1F	ZINC001311745725	1069531096	/nfs/dbraw/zinc/53/10/96/1069531096.db2.gz	ZKYPUCQBCVHJLN-OAHLLOKOSA-N	-1	3	452.452	3.774	20	10		JHCDHM
CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2[O-])CCN(C(=O)OC(C)(C)C)CC1	ZINC001308962206	1070467046	/nfs/dbraw/zinc/46/70/46/1070467046.db2.gz	HTURMFSDXKCLQE-UHFFFAOYSA-N	-1	3	453.555	3.821	20	10		JHCDHM
Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(F)cc1Br	ZINC001309933355	1071021350	/nfs/dbraw/zinc/02/13/50/1071021350.db2.gz	BKBKLSKQRYYKQO-SFHVURJKSA-N	-1	3	458.397	3.544	20	10		JHCDHM
CCOC(=O)c1ccc2c(c1)nc(CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-])n2CC	ZINC001307538609	1070041871	/nfs/dbraw/zinc/04/18/71/1070041871.db2.gz	BPGKXOLRPMAKRL-UHFFFAOYSA-N	-1	3	459.930	3.767	20	10		JHCDHM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1C	ZINC001309217217	1070615872	/nfs/dbraw/zinc/61/58/72/1070615872.db2.gz	MDWHLCGTQOQYPW-KRWDZBQOSA-N	-1	3	453.948	3.514	20	10		JHCDHM
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2ccc3c(c2)c(C)c(C)n3C)cc1F	ZINC001309595348	1070875846	/nfs/dbraw/zinc/87/58/46/1070875846.db2.gz	TUICKSUFCNHKJU-UHFFFAOYSA-N	-1	3	454.545	3.854	20	10		JHCDHM
Cc1cc(S(=O)(=O)[N-]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c(F)cc1Br	ZINC001309933354	1071021157	/nfs/dbraw/zinc/02/11/57/1071021157.db2.gz	BKBKLSKQRYYKQO-GOSISDBHSA-N	-1	3	458.397	3.544	20	10		JHCDHM
CCN(CC(=O)N=c1cc[nH]n1Cc1cccc(C)c1)Cc1cc(Br)ccc1[O-]	ZINC001307497005	1070018279	/nfs/dbraw/zinc/01/82/79/1070018279.db2.gz	CSAKGHZBZJSDQK-UHFFFAOYSA-N	-1	3	457.372	3.590	20	10		JHCDHM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1C	ZINC001309217218	1070615726	/nfs/dbraw/zinc/61/57/26/1070615726.db2.gz	MDWHLCGTQOQYPW-QGZVFWFLSA-N	-1	3	453.948	3.514	20	10		JHCDHM
CN(C)c1ccc(CNC(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cc1F	ZINC001311745722	1069531075	/nfs/dbraw/zinc/53/10/75/1069531075.db2.gz	ZKYPUCQBCVHJLN-HNNXBMFYSA-N	-1	3	452.452	3.774	20	10		JHCDHM
Cc1cc(S(=O)(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(C)cc1[N+](=O)[O-]	ZINC001309219956	1070618820	/nfs/dbraw/zinc/61/88/20/1070618820.db2.gz	YSCQPXWIDADXGP-KRWDZBQOSA-N	-1	3	453.948	3.514	20	10		JHCDHM
O=C(c1ccccc1I)N1CCN(Cc2ccc(Cl)cc2[O-])CC1	ZINC001308578990	1070394274	/nfs/dbraw/zinc/39/42/74/1070394274.db2.gz	WFFNGMJQAVZLBD-UHFFFAOYSA-N	-1	3	456.711	3.608	20	10		JHCDHM
COc1cc(O)c(CN2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1OC	ZINC001308860345	1070450781	/nfs/dbraw/zinc/45/07/81/1070450781.db2.gz	NYHUTRMQVCOOCJ-IRXDYDNUSA-N	-1	3	456.436	3.585	20	10		JHCDHM